diff --git a/.github/workflows/push.yml b/.github/workflows/push.yml index eccc6f2e..b1dce9c3 100644 --- a/.github/workflows/push.yml +++ b/.github/workflows/push.yml @@ -10,7 +10,7 @@ jobs: with: submodules: recursive - name: Formatting - uses: github/super-linter@v4 + uses: github/super-linter@v5 env: VALIDATE_ALL_CODEBASE: false DEFAULT_BRANCH: main @@ -142,7 +142,7 @@ jobs: - dry-run steps: - uses: actions/checkout@v4 - - uses: actions/setup-python@v4 + - uses: actions/setup-python@v5 with: python-version: 3.11 - run: pip install bgcflow_wrapper diff --git a/workflow/envs/bgcflow_notes.yaml b/workflow/envs/bgcflow_notes.yaml index b63b10b5..c1961d7b 100644 --- a/workflow/envs/bgcflow_notes.yaml +++ b/workflow/envs/bgcflow_notes.yaml @@ -19,7 +19,7 @@ dependencies: - xlrd >= 1.0.0 - altair - itables - - scikit-learn + - scikit-learn==1.4.0 - pyarrow - pygraphviz - pip diff --git a/workflow/notebook/fastani.py.ipynb b/workflow/notebook/fastani.py.ipynb index 0705abd6..650702f8 100644 --- a/workflow/notebook/fastani.py.ipynb +++ b/workflow/notebook/fastani.py.ipynb @@ -202,7 +202,7 @@ "else:\n", " top_clusters = 12\n", "\n", - "Agg_hc = AgglomerativeClustering(n_clusters = n_clusters, affinity = 'euclidean', linkage = 'ward')\n", + "Agg_hc = AgglomerativeClustering(n_clusters = n_clusters, metric = 'euclidean', linkage = 'ward')\n", "y_hc = Agg_hc.fit_predict(df_fastani_corr)\n", "color_set3 = ['#8dd3c7','#ffffb3','#bebada','#fb8072','#80b1d3','#fdb462','#b3de69','#fccde5','#d9d9d9','#bc80bd','#ccebc5','#ffed6f']\n", "\n", diff --git a/workflow/notebook/mash.py.ipynb b/workflow/notebook/mash.py.ipynb index 914211b5..714e9b65 100644 --- a/workflow/notebook/mash.py.ipynb +++ b/workflow/notebook/mash.py.ipynb @@ -202,7 +202,7 @@ "else:\n", " top_clusters = 12\n", "\n", - "Agg_hc = AgglomerativeClustering(n_clusters = n_clusters, affinity = 'euclidean', linkage = 'ward')\n", + "Agg_hc = AgglomerativeClustering(n_clusters = n_clusters, metric = 'euclidean', linkage = 'ward')\n", "y_hc = Agg_hc.fit_predict(df_mash_corr)\n", "color_set3 = ['#8dd3c7','#ffffb3','#bebada','#fb8072','#80b1d3','#fdb462','#b3de69','#fccde5','#d9d9d9','#bc80bd','#ccebc5','#ffed6f']\n", "\n", diff --git a/workflow/rules/eggnog.smk b/workflow/rules/eggnog.smk index 460445ab..00518b29 100644 --- a/workflow/rules/eggnog.smk +++ b/workflow/rules/eggnog.smk @@ -20,13 +20,15 @@ rule eggnog: dmnd="resources/eggnog_db/bacteria.dmnd", output: eggnog_dir=directory("data/interim/eggnog/{strains}/"), + tempdir=temp(directory("data/interim/eggnog/tmp/{strains}")) conda: "../envs/eggnog.yaml" - threads: 4 + threads: 8 log: "logs/eggnog/eggnog/eggnog-{strains}.log", shell: """ mkdir -p {output.eggnog_dir} - emapper.py -i {input.faa} --decorate_gff "yes" --excel --cpu {threads} -o {wildcards.strains} --output_dir {output.eggnog_dir} --data_dir {input.eggnog_db} &>> {log} + mkdir -p {output.tempdir} + emapper.py -i {input.faa} --decorate_gff "yes" --excel --cpu {threads} -o {wildcards.strains} --output_dir {output.eggnog_dir} --data_dir {input.eggnog_db} --temp_dir {output.tempdir} &>> {log} """