# HG changeset patch # User rliterman # Date 1733419962 18000 # Node ID 6f4e6377ba64780ec0f2de289b732a5d3635d25a # Parent a129538349168bb5b7415f19bc2aaa485bea93d1 "planemo upload" diff -r a12953834916 -r 6f4e6377ba64 CSP2/.github/workflows/build-docker.yml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CSP2/.github/workflows/build-docker.yml Thu Dec 05 12:32:42 2024 -0500 @@ -0,0 +1,34 @@ +name: docker-build + +on: + release: + types: [published] + +jobs: + docker: + runs-on: ubuntu-latest + steps: + - + name: Set up QEMU + uses: docker/setup-qemu-action@v3 + - + name: Set up Docker Buildx + uses: docker/setup-buildx-action@v3 + - + name: Login to Docker Hub + uses: docker/login-action@v3 + with: + username: ${{ secrets.DOCKERHUB_USERNAME }} + password: ${{ secrets.DOCKERHUB_TOKEN }} + - + name: Build and push + uses: docker/build-push-action@v6 + with: + file: docker/Dockerfile + platforms: linux/amd64 + target: release + build-args: | + VERSION=${{ github.ref_name }} + CSP2_BRANCH=${{ github.ref_name }} + push: true + tags: cfsanbiostatistics/csp2:latest,cfsanbiostatistics/csp2:${{ github.ref_name }} diff -r a12953834916 -r 6f4e6377ba64 CSP2/.gitignore --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CSP2/.gitignore Thu Dec 05 12:32:42 2024 -0500 @@ -0,0 +1,211 @@ +# Created by https://www.toptal.com/developers/gitignore/api/python,visualstudiocode,virtualenv +# Edit at https://www.toptal.com/developers/gitignore?templates=python,visualstudiocode,virtualenv + +### Python ### +# Byte-compiled / optimized / DLL files +__pycache__/ +*.py[cod] +*$py.class + +# C extensions +*.so + +# Distribution / packaging +.Python +build/ +develop-eggs/ +dist/ +downloads/ +eggs/ +.eggs/ +lib/ +lib64/ +parts/ +sdist/ +var/ +wheels/ +share/python-wheels/ +*.egg-info/ +.installed.cfg +*.egg +MANIFEST + +# PyInstaller +# Usually these files are written by a python script from a template +# before PyInstaller builds the exe, so as to inject date/other infos into it. +*.manifest +*.spec + +# Installer logs +pip-log.txt +pip-delete-this-directory.txt + +# Unit test / coverage reports +htmlcov/ +.tox/ +.nox/ +.coverage +.coverage.* +.cache +nosetests.xml +coverage.xml +*.cover +*.py,cover +.hypothesis/ +.pytest_cache/ +cover/ + +# Translations +*.mo +*.pot + +# Django stuff: +*.log +local_settings.py +db.sqlite3 +db.sqlite3-journal + +# Flask stuff: +instance/ +.webassets-cache + +# Scrapy stuff: +.scrapy + +# Sphinx documentation +docs/_build/ + +# PyBuilder +.pybuilder/ +target/ + +# Jupyter Notebook +.ipynb_checkpoints + +# IPython +profile_default/ +ipython_config.py + +# pyenv +# For a library or package, you might want to ignore these files since the code is +# intended to run in multiple environments; otherwise, check them in: +# .python-version + +# pipenv +# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. +# However, in case of collaboration, if having platform-specific dependencies or dependencies +# having no cross-platform support, pipenv may install dependencies that don't work, or not +# install all needed dependencies. +#Pipfile.lock + +# poetry +# Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control. +# This is especially recommended for binary packages to ensure reproducibility, and is more +# commonly ignored for libraries. +# https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control +#poetry.lock + +# pdm +# Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control. +#pdm.lock +# pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it +# in version control. +# https://pdm.fming.dev/#use-with-ide +.pdm.toml + +# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm +__pypackages__/ + +# Celery stuff +celerybeat-schedule +celerybeat.pid + +# SageMath parsed files +*.sage.py + +# Environments +.env +.venv +env/ +venv/ +ENV/ +env.bak/ +venv.bak/ + +# Spyder project settings +.spyderproject +.spyproject + +# Rope project settings +.ropeproject + +# mkdocs documentation +/site + +# mypy +.mypy_cache/ +.dmypy.json +dmypy.json + +# Pyre type checker +.pyre/ + +# pytype static type analyzer +.pytype/ + +# Cython debug symbols +cython_debug/ + +# PyCharm +# JetBrains specific template is maintained in a separate JetBrains.gitignore that can +# be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore +# and can be added to the global gitignore or merged into this file. For a more nuclear +# option (not recommended) you can uncomment the following to ignore the entire idea folder. +#.idea/ + +### Python Patch ### +# Poetry local configuration file - https://python-poetry.org/docs/configuration/#local-configuration +poetry.toml + +# ruff +.ruff_cache/ + +# LSP config files +pyrightconfig.json + +### VirtualEnv ### +# Virtualenv +# http://iamzed.com/2009/05/07/a-primer-on-virtualenv/ +[Bb]in +[Ii]nclude +[Ll]ib +[Ll]ib64 +[Ll]ocal +[Ss]cripts +pyvenv.cfg +pip-selfcheck.json + +### VisualStudioCode ### +.vscode/* +!.vscode/settings.json +!.vscode/tasks.json +!.vscode/launch.json +!.vscode/extensions.json +!.vscode/*.code-snippets + +# Local History for Visual Studio Code +.history/ + +# Built Visual Studio Code Extensions +*.vsix + +### VisualStudioCode Patch ### +# Ignore all local history of files +.history +.ionide + +# End of https://www.toptal.com/developers/gitignore/api/python,visualstudiocode,virtualenv + +#Nextflow +.nextflow* +work/ \ No newline at end of file diff -r a12953834916 -r 6f4e6377ba64 CSP2/conf/profiles.config --- a/CSP2/conf/profiles.config Thu Dec 05 10:47:01 2024 -0500 +++ b/CSP2/conf/profiles.config Thu Dec 05 12:32:42 2024 -0500 @@ -79,13 +79,13 @@ params.trim_name = "" } - csp2_galaxy { + csp2_galaxy1 { conda.enabled = true conda.useMicromamba = true conda.cacheDir = "${projectDir}/CSP2_env" process.conda = "${projectDir}/conf/CSP2.yaml" - process.queue = "q8cpu" + process.queue = "ondemand-small" executor.$slurm.exitReadTimeout = 120000 @@ -99,4 +99,25 @@ params.mash_module = "" params.trim_name = "" } + + csp2_galaxy2 { + conda.enabled = true + conda.useMicromamba = true + conda.cacheDir = "${projectDir}/CSP2_env" + process.conda = "${projectDir}/conf/CSP2.yaml" + + process.queue = "q8cpu" + + executor.$slurm.exitReadTimeout = 120000 + + process.executor = 'slurm' + params.cores = 8 + params.python_module = "" + params.mummer_module = "" + params.skesa_module = "" + params.bedtools_module = "" + params.bbtools_module = "" + params.mash_module = "" + params.trim_name = "" + } } diff -r a12953834916 -r 6f4e6377ba64 csp2_screen.xml --- a/csp2_screen.xml Thu Dec 05 10:47:01 2024 -0500 +++ b/csp2_screen.xml Thu Dec 05 12:32:42 2024 -0500 @@ -57,7 +57,13 @@ export REF_ID_ARG=""; fi; -nextflow run ${__tool_directory__}/CSP2/CSP2.nf -profile csp2_galaxy --cores 2 --runmode screen \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --out \$CSP2_DIR/CSP2_Screen_Output > Nextflow_Log.txt 2>&1; +if [[ "$ondemand" == "true" ]]; then + export PROFILE_ARG="-profile csp2_galaxy1"; +else + export PROFILE_ARG="-profile csp2_galaxy2"; +fi; + +nextflow run ${__tool_directory__}/CSP2/CSP2.nf \$PROFILE_ARG --runmode screen \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --out \$CSP2_DIR/CSP2_Screen_Output > Nextflow_Log.txt 2>&1; zip -r CSP2_Output.zip CSP2_Screen_Output; ]]> @@ -78,6 +84,7 @@ + diff -r a12953834916 -r 6f4e6377ba64 csp2_snp.xml --- a/csp2_snp.xml Thu Dec 05 10:47:01 2024 -0500 +++ b/csp2_snp.xml Thu Dec 05 12:32:42 2024 -0500 @@ -63,7 +63,13 @@ export RESCUE_ARG=""; fi; -nextflow run ${__tool_directory__}/CSP2/CSP2.nf -profile csp2_galaxy --cores 2 --runmode snp \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG \$RESCUE_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --max_missing $max_missing --n_ref $n_ref --out \$CSP2_DIR/CSP2_SNP_Output > Nextflow_Log.txt 2>&1; +if [[ "$ondemand" == "true" ]]; then + export PROFILE_ARG="-profile csp2_galaxy1"; +else + export PROFILE_ARG="-profile csp2_galaxy2"; +fi; + +nextflow run ${__tool_directory__}/CSP2/CSP2.nf \$PROFILE_ARG --runmode snp \$QUERY_FASTA_ARG \$REF_FASTA_ARG \$QUERY_READS_ARG \$REF_READS_ARG \$REF_ID_ARG \$TRIM_ARG \$RESCUE_ARG --readext $readext --forward $forward --reverse $reverse --ref_readext $readext --ref_forward $forward --ref_reverse $reverse --min_cov $min_cov --min_iden $min_iden --min_len $min_len --ref_edge $ref_edge --query_edge $query_edge --dwin $dwin --wsnps $wsnps --max_missing $max_missing --n_ref $n_ref --out \$CSP2_DIR/CSP2_SNP_Output > Nextflow_Log.txt 2>&1; zip -r CSP2_Output.zip CSP2_SNP_Output; ]]> @@ -87,7 +93,7 @@ - +