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Merge pull request #325 from nf-core/dev
Release 2.6.0
2 parents b80a5a4 + 722343b commit 1b30692

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.devcontainer/devcontainer.json

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"vscode": {
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// Set *default* container specific settings.json values on container create.
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"settings": {
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"python.defaultInterpreterPath": "/opt/conda/bin/python",
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"python.linting.enabled": true,
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"python.linting.pylintEnabled": true,
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"python.formatting.autopep8Path": "/opt/conda/bin/autopep8",
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"python.formatting.yapfPath": "/opt/conda/bin/yapf",
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"python.linting.flake8Path": "/opt/conda/bin/flake8",
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"python.linting.pycodestylePath": "/opt/conda/bin/pycodestyle",
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"python.linting.pydocstylePath": "/opt/conda/bin/pydocstyle",
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"python.linting.pylintPath": "/opt/conda/bin/pylint"
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"python.defaultInterpreterPath": "/opt/conda/bin/python"
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},
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// Add the IDs of extensions you want installed when the container is created.

.editorconfig

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@@ -18,7 +18,16 @@ end_of_line = unset
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insert_final_newline = unset
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trim_trailing_whitespace = unset
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indent_style = unset
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indent_size = unset
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[/subworkflows/nf-core/**]
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charset = unset
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end_of_line = unset
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insert_final_newline = unset
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trim_trailing_whitespace = unset
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indent_style = unset
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[/assets/email*]
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indent_size = unset
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# ignore python and markdown
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[*.{py,md}]
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indent_style = unset

.github/CONTRIBUTING.md

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@@ -9,9 +9,8 @@ Please use the pre-filled template to save time.
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However, don't be put off by this template - other more general issues and suggestions are welcome!
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Contributions to the code are even more welcome ;)
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:::info
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If you need help using or modifying nf-core/mhcquant then the best place to ask is on the nf-core Slack [#mhcquant](https://nfcore.slack.com/channels/mhcquant) channel ([join our Slack here](https://nf-co.re/join/slack)).
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:::
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> [!NOTE]
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> If you need help using or modifying nf-core/mhcquant then the best place to ask is on the nf-core Slack [#mhcquant](https://nfcore.slack.com/channels/mhcquant) channel ([join our Slack here](https://nf-co.re/join/slack)).
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## Contribution workflow
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## Tests
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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:
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```bash
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nextflow run . -profile debug,test,docker --outdir <OUTDIR
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```
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When you create a pull request with changes, [GitHub Actions](https://github.com/features/actions) will run automatic tests.
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Typically, pull-requests are only fully reviewed when these tests are passing, though of course we can help out before then.
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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.
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The process resources can be passed on to the tool dynamically within the process with the `${task.cpu}` and `${task.memory}` variables in the `script:` block.
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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.
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### Naming schemes
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.github/PULL_REQUEST_TEMPLATE.md

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- [ ] If necessary, also make a PR on the nf-core/mhcquant _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository.
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- [ ] Make sure your code lints (`nf-core lint`).
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- [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir <OUTDIR>`).
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- [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir <OUTDIR>`).
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- [ ] Usage Documentation in `docs/usage.md` is updated.
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- [ ] Output Documentation in `docs/output.md` is updated.
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- [ ] `CHANGELOG.md` is updated.

.github/workflows/awsfulltest.yml

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types: [published]
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workflow_dispatch:
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jobs:
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run-tower:
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run-platform:
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name: Run AWS full tests
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if: github.repository == 'nf-core/mhcquant'
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runs-on: ubuntu-latest
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steps:
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- name: Launch workflow via tower
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- name: Launch workflow via Seqera Platform
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uses: seqeralabs/action-tower-launch@v2
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# TODO nf-core: You can customise AWS full pipeline tests as required
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# Add full size test data (but still relatively small datasets for few samples)
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# on the `test_full.config` test runs with only one set of parameters
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with:
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workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }}
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access_token: ${{ secrets.TOWER_ACCESS_TOKEN }}
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}
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profiles: test_full
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- uses: actions/upload-artifact@v3
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- uses: actions/upload-artifact@v4
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with:
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name: Tower debug log file
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name: Seqera Platform debug log file
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path: |
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tower_action_*.log
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tower_action_*.json
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seqera_platform_action_*.log
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seqera_platform_action_*.json

.github/workflows/awstest.yml

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on:
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workflow_dispatch:
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jobs:
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run-tower:
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run-platform:
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name: Run AWS tests
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if: github.repository == 'nf-core/mhcquant'
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runs-on: ubuntu-latest
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steps:
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# Launch workflow using Tower CLI tool action
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- name: Launch workflow via tower
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# Launch workflow using Seqera Platform CLI tool action
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- name: Launch workflow via Seqera Platform
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uses: seqeralabs/action-tower-launch@v2
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with:
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workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }}
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}
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profiles: test
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- uses: actions/upload-artifact@v3
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- uses: actions/upload-artifact@v4
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with:
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name: Tower debug log file
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name: Seqera Platform debug log file
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path: |
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tower_action_*.log
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tower_action_*.json
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seqera_platform_action_*.log
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seqera_platform_action_*.json

.github/workflows/branch.yml

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# NOTE - this doesn't currently work if the PR is coming from a fork, due to limitations in GitHub actions secrets
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- name: Post PR comment
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if: failure()
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uses: mshick/add-pr-comment@v1
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uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2
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with:
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message: |
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## This PR is against the `master` branch :x:

.github/workflows/ci.yml

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push:
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branches:
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- dev
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- master
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pull_request:
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release:
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types: [published]
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- "latest-everything"
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steps:
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- name: Check out pipeline code
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uses: actions/checkout@v3
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uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4
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- name: Install Nextflow
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uses: nf-core/setup-nextflow@v1
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uses: nf-core/setup-nextflow@v2
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with:
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version: "${{ matrix.NXF_VER }}"
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- name: Disk space cleanup
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uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1
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- name: Run pipeline with test data
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run: |
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nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results
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# Test latest edge release of Nextflow
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- NXF_VER: ""
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NXF_EDGE: "1"
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tests: ["test_deeplc", "test_ms2pip", "test_ionannotator", "test_full"]
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tests: ["test_mokapot", "test_percolator", "test_ionannotator"]
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steps:
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- name: Check out pipeline code
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uses: actions/checkout@v2
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- name: Install Nextflow
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env:
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NXF_VER: ${{ matrix.NXF_VER }}
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# Uncomment only if the edge release is more recent than the latest stable release
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# See https://github.com/nextflow-io/nextflow/issues/2467
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# NXF_EDGE: ${{ matrix.NXF_EDGE }}
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run: |
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wget -qO- get.nextflow.io | bash
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sudo mv nextflow /usr/local/bin/
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- name: Run pipeline with profile ${{ matrix.tests }}
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run: |
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nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.tests }},docker --max_memory '6.GB' --max_cpus 2 --spectrum_batch_size 5000 --outdir ./results
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# Define a second workflow only against main with additional tests: test_timstof and test_full
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profile_main:
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name: Run timsTOF profile tests
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if: ${{ github.event_name == 'push' && github.ref == 'refs/heads/main' && github.repository == 'nf-core/mhcquant' }}
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runs-on: ubuntu-latest
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env:
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NXF_VER: ${{ matrix.nxf_ver }}
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NXF_ANSI_LOG: false
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strategy:
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matrix:
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include:
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# Test pipeline minimum Nextflow version
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- NXF_VER: "23.04.0"
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NXF_EDGE: ""
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# Test latest edge release of Nextflow
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- NXF_VER: ""
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NXF_EDGE: "1"
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tests: ["test_timstof"]
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steps:
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- name: Check out pipeline code
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uses: actions/checkout@v2

.github/workflows/clean-up.yml

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issues: write
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pull-requests: write
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steps:
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- uses: actions/stale@v7
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- uses: actions/stale@28ca1036281a5e5922ead5184a1bbf96e5fc984e # v9
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with:
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stale-issue-message: "This issue has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment otherwise this issue will be closed in 20 days."
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stale-pr-message: "This PR has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment if it is still useful."
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name: Test successful pipeline download with 'nf-core download'
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# Run the workflow when:
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# - dispatched manually
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# - when a PR is opened or reopened to master branch
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# - the head branch of the pull request is updated, i.e. if fixes for a release are pushed last minute to dev.
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on:
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workflow_dispatch:
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inputs:
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testbranch:
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description: "The specific branch you wish to utilize for the test execution of nf-core download."
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required: true
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default: "dev"
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pull_request:
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types:
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- opened
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- edited
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- synchronize
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branches:
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- master
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pull_request_target:
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branches:
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- master
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env:
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NXF_ANSI_LOG: false
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jobs:
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download:
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runs-on: ubuntu-latest
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steps:
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- name: Install Nextflow
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uses: nf-core/setup-nextflow@v2
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- name: Disk space cleanup
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uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1
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- uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5
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with:
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python-version: "3.12"
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architecture: "x64"
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- uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7
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with:
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singularity-version: 3.8.3
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- name: Install dependencies
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run: |
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python -m pip install --upgrade pip
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pip install git+https://github.com/nf-core/tools.git@dev
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- name: Get the repository name and current branch set as environment variable
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run: |
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echo "REPO_LOWERCASE=${GITHUB_REPOSITORY,,}" >> ${GITHUB_ENV}
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echo "REPOTITLE_LOWERCASE=$(basename ${GITHUB_REPOSITORY,,})" >> ${GITHUB_ENV}
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echo "REPO_BRANCH=${{ github.event.inputs.testbranch || 'dev' }}" >> ${GITHUB_ENV}
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- name: Download the pipeline
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env:
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NXF_SINGULARITY_CACHEDIR: ./
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run: |
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nf-core download ${{ env.REPO_LOWERCASE }} \
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--revision ${{ env.REPO_BRANCH }} \
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--outdir ./${{ env.REPOTITLE_LOWERCASE }} \
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--compress "none" \
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--container-system 'singularity' \
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--container-library "quay.io" -l "docker.io" -l "ghcr.io" \
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--container-cache-utilisation 'amend' \
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--download-configuration
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- name: Inspect download
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run: tree ./${{ env.REPOTITLE_LOWERCASE }}
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- name: Run the downloaded pipeline (stub)
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id: stub_run_pipeline
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continue-on-error: true
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env:
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NXF_SINGULARITY_CACHEDIR: ./
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NXF_SINGULARITY_HOME_MOUNT: true
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run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results
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- name: Run the downloaded pipeline (stub run not supported)
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id: run_pipeline
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if: ${{ job.steps.stub_run_pipeline.status == failure() }}
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env:
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NXF_SINGULARITY_CACHEDIR: ./
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NXF_SINGULARITY_HOME_MOUNT: true
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run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -profile test,singularity --outdir ./results

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