Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Update modules #63

Merged
merged 25 commits into from
Sep 29, 2023
Merged

Update modules #63

merged 25 commits into from
Sep 29, 2023

Conversation

luisas
Copy link
Collaborator

@luisas luisas commented Sep 29, 2023

Closes #35, #45, #58, #60, #61

Add new modules (learnMSA and tcoffee align) from nf-core
Add local mtmalign module
Fix issues to enable structural alignments modes

PR checklist

  • This comment contains a description of changes (with reason).
  • 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
  • If necessary, also make a PR on the nf-core/multiplesequencealign branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core lint).
  • Ensure the test suite passes (nextflow run . -profile test,docker --outdir <OUTDIR>).
  • Usage Documentation in docs/usage.md is updated.
  • Output Documentation in docs/output.md is updated.
  • CHANGELOG.md is updated.
  • README.md is updated (including new tool citations and authors/contributors).

@github-actions
Copy link

github-actions bot commented Sep 29, 2023

nf-core lint overall result: Passed ✅ ⚠️

Posted for pipeline commit f202197

+| ✅ 155 tests passed       |+
#| ❔   1 tests were ignored |#
!| ❗  18 tests had warnings |!

❗ Test warnings:

  • readme - README contains the placeholder zenodo.XXXXXXX. This should be replaced with the zenodo doi (after the first release).
  • pipeline_todos - TODO string in README.md: Add full-sized test dataset and amend the paragraph below if applicable
  • pipeline_todos - TODO string in README.md: Describe the minimum required steps to execute the pipeline, e.g. how to prepare samplesheets.
  • pipeline_todos - TODO string in README.md: update the following command to include all required parameters for a minimal example
  • pipeline_todos - TODO string in README.md: If applicable, make list of people who have also contributed
  • pipeline_todos - TODO string in README.md: Add citation for pipeline after first release. Uncomment lines below and update Zenodo doi and badge at the top of this file.
  • pipeline_todos - TODO string in README.md: Add bibliography of tools and data used in your pipeline
  • pipeline_todos - TODO string in base.config: Check the defaults for all processes
  • pipeline_todos - TODO string in base.config: Customise requirements for specific processes.
  • pipeline_todos - TODO string in test_full.config: Specify the paths to your full test data ( on nf-core/test-datasets or directly in repositories, e.g. SRA)
  • pipeline_todos - TODO string in test_full.config: Give any required params for the test so that command line flags are not needed
  • pipeline_todos - TODO string in methods_description_template.yml: #Update the HTML below to your preferred methods description, e.g. add publication citation for this pipeline
  • pipeline_todos - TODO string in ci.yml: You can customise CI pipeline run tests as required
  • pipeline_todos - TODO string in awsfulltest.yml: You can customise AWS full pipeline tests as required
  • pipeline_todos - TODO string in WorkflowMain.groovy: Add Zenodo DOI for pipeline after first release
  • pipeline_todos - TODO string in WorkflowMultiplesequencealign.groovy: Optionally add in-text citation tools to this list.
  • pipeline_todos - TODO string in usage.md: Add documentation about anything specific to running your pipeline. For general topics, please point to (and add to) the main nf-core website.
  • pipeline_todos - TODO string in output.md: Write this documentation describing your workflow's output

❔ Tests ignored:

✅ Tests passed:

Run details

  • nf-core/tools version 2.10
  • Run at 2023-09-29 13:45:38

Copy link
Member

@JoseEspinosa JoseEspinosa left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Just suggested some small changes, nice job!

@@ -0,0 +1,3 @@
id,fasta,reference,structures
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Is this needed or is it an error?

Copy link
Collaborator Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

This is just an extra file I am keeping now for testing - will remove it for the release :)

@@ -0,0 +1,25 @@
process MTMALIGN_ALIGN {
tag "$meta.id"
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Even if it is a local module you could provide its biocontainer

Copy link
Collaborator Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

There is none at the moment, if you prefer i can remove the module from the PR but maybe we can leave it and solve it in the next PR ( i already have an issue open for it and i plan to make it an nf-core module :)

Comment on lines 20 to 25
ch_fastas_fortrees = ch_fastas.combine(tree_tools)
.map( it -> [it[0] + it[2], it[1]] )
.branch{
famsa_guidetree: it[0]["tree"] == "FAMSA_GUIDETREE"
mbed: it[0]["tree"] == "MBED"
famsa: it[0]["tree"] == "FAMSA"
clustalo: it[0]["tree"] == "CLUSTALO"
}
Copy link
Member

@JoseEspinosa JoseEspinosa Sep 29, 2023

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Suggested change
ch_fastas_fortrees = ch_fastas.combine(tree_tools)
.map( it -> [it[0] + it[2], it[1]] )
.branch{
famsa_guidetree: it[0]["tree"] == "FAMSA_GUIDETREE"
mbed: it[0]["tree"] == "MBED"
famsa: it[0]["tree"] == "FAMSA"
clustalo: it[0]["tree"] == "CLUSTALO"
}
ch_fastas
.combine(tree_tools)
.map{ it -> [ it[0] + it[2], it[1] ] }
.branch {
famsa: it[0]["tree"] == "FAMSA"
clustalo: it[0]["tree"] == "CLUSTALO"
}
.set { ch_fastas_fortrees }

Copy link
Collaborator Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I don't have anymore the branches mbed and famsa_guidetree. I changed the name convention to the name of the module as we discussed the other day in the meeting w/ Cedric :)

Copy link
Member

@JoseEspinosa JoseEspinosa Sep 29, 2023

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Yeah sorry, I copy pasted it wrongly, I was complaining about the formatting of the code

Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

I updated the comment but double check I did it correctly

Copy link
Collaborator Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

It would not allow me to change it here directly. I changed it directly in the code and pushed again.

workflows/multiplesequencealign.nf Outdated Show resolved Hide resolved
workflows/multiplesequencealign.nf Outdated Show resolved Hide resolved
workflows/multiplesequencealign.nf Outdated Show resolved Hide resolved
luisas and others added 5 commits September 29, 2023 15:21
Co-authored-by: Jose Espinosa-Carrasco <kadomu@gmail.com>
Co-authored-by: Jose Espinosa-Carrasco <kadomu@gmail.com>
Co-authored-by: Jose Espinosa-Carrasco <kadomu@gmail.com>
Copy link
Member

@JoseEspinosa JoseEspinosa left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Awesome! 🚀

@luisas luisas merged commit a50abb7 into nf-core:dev Sep 29, 2023
@luisas luisas mentioned this pull request Sep 29, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

NF-CORE-MODULE: TCOFFEE_REGRESSIVE
2 participants