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.github/actions/nf-test/action.yml

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with:
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python-version: "3.13"
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- name: Install icdiff
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run: pip install icdiff
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shell: bash
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- name: Run icdiff
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run: icdiff --help
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shell: bash
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- name: Install nf-test
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uses: nf-core/setup-nf-test@v1
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with:
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conda-solver: libmamba
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conda-remove-defaults: true
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# Set up Nextflow secrets for NCBI access
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- name: Set Nextflow secrets
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if: env.NCBI_EMAIL != '' && env.NCBI_KEY != ''
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shell: bash
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run: |
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nextflow secrets set NCBI_EMAIL "$NCBI_EMAIL"
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nextflow secrets set NCBI_KEY "$NCBI_KEY"
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- name: Run nf-test
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shell: bash
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env:
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NFT_WORKDIR: ${{ env.NFT_WORKDIR }}
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NFT_DIFF: ${{ env.NFT_DIFF }}
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NFT_DIFF_ARGS: ${{ env.NFT_DIFF_ARGS }}
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run: |
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nf-test test \
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--profile=+${{ inputs.profile }} \

.github/workflows/nf-test.yml

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env:
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GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
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NFT_DIFF: "icdiff"
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NFT_DIFF_ARGS: "-N --cols 200 -L expected -L observed -t"
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NFT_VER: "0.9.2"
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NFT_WORKDIR: "~"
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NXF_ANSI_LOG: false
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env:
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NXF_ANSI_LOG: false
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TOTAL_SHARDS: ${{ needs.nf-test-changes.outputs.total_shards }}
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NCBI_EMAIL: ${{ secrets.NCBI_EMAIL }}
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NCBI_KEY: ${{ secrets.NCBI_KEY }}
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steps:
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- uses: actions/checkout@11bd71901bbe5b1630ceea73d27597364c9af683 # v4
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continue-on-error: ${{ matrix.NXF_VER == 'latest-everything' }}
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env:
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NFT_WORKDIR: ${{ env.NFT_WORKDIR }}
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NFT_DIFF: ${{ env.NFT_DIFF }}
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NFT_DIFF_ARGS: ${{ env.NFT_DIFF_ARGS }}
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NCBI_EMAIL: ${{ secrets.NCBI_EMAIL }}
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NCBI_KEY: ${{ secrets.NCBI_KEY }}
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with:
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profile: ${{ matrix.profile }}
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shard: ${{ matrix.shard }}

CHANGELOG.md

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### `Changed`
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- Updated template to [nf-core/tools](https://nf-co.re/tools) version 3.3.2
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### `Fixed`
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### `Dependencies`
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- Relational datamodel to handle large amounts of data
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Tables defined within model:
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- `alleles.tsv`
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- `condition_alleles.tsv`
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- `conditions.tsv`

bin/plot_score_distribution.R

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# (somehow also affects printed quantiles)
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ggsave(paste0("prediction_score_distribution.", allele_str, ".pdf"), height=5, width=5)
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docs/output.md

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<summary>Output files</summary>
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- `entrez_data/`
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- `entities_proteins.entrez.tsv`: matches temporary protein id given by Entrez to entities. Contains protein_tmp_id and entity_name.
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- `microbiomes_entities.entrez.tsv`: matches entities (taxa) and their weights to microbiomes. Contains microbiome_id, entity_id and entity_weight for unique microbiome - entity combinations downloaded from Entrez.
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- `proteins.entrez.tsv.gz`: contains protein_tmp_id (protein id given by Entrez) and protein_sequence for all proteins downloaded from Entrez.

nextflow.config

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// TODO nf-core: Update the field with the details of the contributors to your pipeline. New with Nextflow version 24.10.0
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[
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name: 'Sabrina Krakau',
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affiliation: '',
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affiliation: 'Quantitative Biology Center (QBiC), University of Tübingen, Germany)',
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email: '',
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github: '',
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contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor')
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orcid: ''
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github: 'skrakau',
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contribution: ['author', 'maintainer'], // List of contribution types ('author', 'maintainer' or 'contributor')
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orcid: '0000-0003-0603-7907'
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],
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[
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name: ' Leon Kuchenbecker and Till Englert',
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name: 'Leon Kuchenbecker',
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affiliation: '',
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email: '',
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github: 'lkuchenb',
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contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor')
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orcid: '0000-0002-9479-1872'
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],
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[
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name: 'Till Englert',
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affiliation: '',
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email: '',
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github: '',
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contribution: [], // List of contribution types ('author', 'maintainer' or 'contributor')
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orcid: ''
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github: 'tillenglert',
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contribution: ['contributor'], // List of contribution types ('author', 'maintainer' or 'contributor')
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orcid: '0009-0003-8041-3541'
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],
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]
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homePage = 'https://github.com/nf-core/metapep'

ro-crate-metadata.json

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"@type": "Dataset",
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"creativeWorkStatus": "InProgress",
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"datePublished": "2025-09-11T09:20:59+00:00",
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"description": "<h1>\n <picture>\n <source media=\"(prefers-color-scheme: dark)\" srcset=\"docs/images/nf-core-metapep_logo_dark.png\">\n <img alt=\"nf-core/metapep\" src=\"docs/images/nf-core-metapep_logo_light.png\">\n </picture>\n</h1>\n\n[![GitHub Actions CI Status](https://github.com/nf-core/metapep/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/metapep/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/metapep/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/metapep/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/metapep/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A524.10.5-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.3.2-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.3.2)\n[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/metapep)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23metapep-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/metapep)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/metapep** is a bioinformatics pipeline that ...\n\n<!-- TODO nf-core:\n Complete this sentence with a 2-3 sentence summary of what types of data the pipeline ingests, a brief overview of the\n major pipeline sections and the types of output it produces. You're giving an overview to someone new\n to nf-core here, in 15-20 seconds. For an example, see https://github.com/nf-core/rnaseq/blob/master/README.md#introduction\n-->\n\n<!-- TODO nf-core: Include a figure that guides the user through the major workflow steps. Many nf-core\n workflows use the \"tube map\" design for that. See https://nf-co.re/docs/guidelines/graphic_design/workflow_diagrams#examples for examples. -->\n<!-- TODO nf-core: Fill in short bullet-pointed list of the default steps in the pipeline -->2. Present QC for raw reads ([`MultiQC`](http://multiqc.info/))\n\n## Usage\n\n> [!NOTE]\n> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) with `-profile test` before running the workflow on actual data.\n\n<!-- TODO nf-core: Describe the minimum required steps to execute the pipeline, e.g. how to prepare samplesheets.\n Explain what rows and columns represent. For instance (please edit as appropriate):\n\nFirst, prepare a samplesheet with your input data that looks as follows:\n\n`samplesheet.csv`:\n\n```csv\nsample,fastq_1,fastq_2\nCONTROL_REP1,AEG588A1_S1_L002_R1_001.fastq.gz,AEG588A1_S1_L002_R2_001.fastq.gz\n```\n\nEach row represents a fastq file (single-end) or a pair of fastq files (paired end).\n\n-->\n\nNow, you can run the pipeline using:\n\n<!-- TODO nf-core: update the following command to include all required parameters for a minimal example -->\n\n```bash\nnextflow run nf-core/metapep \\\n -profile <docker/singularity/.../institute> \\\n --input samplesheet.csv \\\n --outdir <OUTDIR>\n```\n\n> [!WARNING]\n> 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).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/metapep/usage) and the [parameter documentation](https://nf-co.re/metapep/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/metapep/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/metapep/output).\n\n## Credits\n\nnf-core/metapep was originally written by Sabrina Krakau, Leon Kuchenbecker and Till Englert.\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n<!-- TODO nf-core: If applicable, make list of people who have also contributed -->\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#metapep` channel](https://nfcore.slack.com/channels/metapep) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\n<!-- TODO nf-core: Add citation for pipeline after first release. Uncomment lines below and update Zenodo doi and badge at the top of this file. -->\n<!-- If you use nf-core/metapep for your analysis, please cite it using the following doi: [10.5281/zenodo.XXXXXX](https://doi.org/10.5281/zenodo.XXXXXX) -->\n\n<!-- TODO nf-core: Add bibliography of tools and data used in your pipeline -->\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n",
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"description": "<h1>\n <picture>\n <source media=\"(prefers-color-scheme: dark)\" srcset=\"docs/images/nf-core-metapep_logo_dark.png\">\n <img alt=\"nf-core/metapep\" src=\"docs/images/nf-core-metapep_logo_light.png\">\n </picture>\n</h1>\n\n[![GitHub Actions CI Status](https://github.com/nf-core/metapep/actions/workflows/nf-test.yml/badge.svg)](https://github.com/nf-core/metapep/actions/workflows/nf-test.yml)\n[![GitHub Actions Linting Status](https://github.com/nf-core/metapep/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/metapep/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/metapep/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX)\n[![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com)\n\n[![Nextflow](https://img.shields.io/badge/version-%E2%89%A524.10.5-green?style=flat&logo=nextflow&logoColor=white&color=%230DC09D&link=https%3A%2F%2Fnextflow.io)](https://www.nextflow.io/)\n[![nf-core template version](https://img.shields.io/badge/nf--core_template-3.3.2-green?style=flat&logo=nfcore&logoColor=white&color=%2324B064&link=https%3A%2F%2Fnf-co.re)](https://github.com/nf-core/tools/releases/tag/3.3.2)\n[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/)\n[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/)\n[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/)\n[![Launch on Seqera Platform](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Seqera%20Platform-%234256e7)](https://cloud.seqera.io/launch?pipeline=https://github.com/nf-core/metapep)\n\n[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23metapep-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/metapep)[![Follow on Bluesky](https://img.shields.io/badge/bluesky-%40nf__core-1185fe?labelColor=000000&logo=bluesky)](https://bsky.app/profile/nf-co.re)[![Follow on Mastodon](https://img.shields.io/badge/mastodon-nf__core-6364ff?labelColor=FFFFFF&logo=mastodon)](https://mstdn.science/@nf_core)[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?labelColor=000000&logo=youtube)](https://www.youtube.com/c/nf-core)\n\n## Introduction\n\n**nf-core/metapep** is a bioinformatics best-practice analysis pipeline for epitope prediction specifically designed for metagenomes. It integrates multiple types of input (proteins, taxa, assemblies and bins), generates peptides and predicts their MHC-/HLA-affinity.\n\n<p align=\"center\">\n <img src=\"docs/images/metapep_workflow_figure.png\" alt=\"nf-core/metapep workflow overview\" width=\"90%\">\n</p>\n\nThe pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool to run tasks across multiple compute infrastructures in a very portable manner. It uses Docker/Singularity containers making installation trivial and results highly reproducible. The [Nextflow DSL2](https://www.nextflow.io/docs/latest/dsl2.html) implementation of this pipeline uses one container per process which makes it much easier to maintain and update software dependencies. Where possible, these processes have been submitted to and installed from [nf-core/modules](https://github.com/nf-core/modules) in order to make them available to all nf-core pipelines, and to everyone within the Nextflow community!\n\nOn release, automated continuous integration tests run the pipeline on a full-sized dataset on the AWS cloud infrastructure. This ensures that the pipeline runs on AWS, has sensible resource allocation defaults set to run on real-world datasets, and permits the persistent storage of results to benchmark between pipeline releases and other analysis sources.The results obtained from the full-sized test can be viewed on the [nf-core website](https://nf-co.re/metapep/results).\n\n## Pipeline summary\n\n1. Download proteins for input type taxa from [Entrez](https://www.ncbi.nlm.nih.gov/Web/Search/entrezfs.html).\n2. Predict proteins for input type assembly or bins using [Prodigal](https://github.com/hyattpd/Prodigal).\n3. Generate peptides from proteins.\n4. Split peptide files into chunks for parallel prediction and report stats.\n5. Predict epitopes for given alleles and peptides using [SYFPEITHI](http://www.syfpeithi.de), [MHCflurry](https://github.com/openvax/mhcflurry) or [MHCnuggets](https://github.com/KarchinLab/mhcnuggets).\n6. Produce plots.\n\n## Usage\n\n> [!NOTE]\n> If you are new to Nextflow and nf-core, please refer to [this page](https://nf-co.re/docs/usage/installation) on how to set-up Nextflow. Make sure to [test your setup](https://nf-co.re/docs/usage/introduction#how-to-run-a-pipeline) with `-profile test` before running the workflow on actual data.\n\n```bash\nnextflow run nf-core/metapep \\\n -profile <docker/singularity/.../institute> \\\n --input samplesheet.csv \\\n --outdir <OUTDIR>\n```\n\n> [!WARNING]\n> 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).\n\nFor more details and further functionality, please refer to the [usage documentation](https://nf-co.re/metapep/usage) and the [parameter documentation](https://nf-co.re/metapep/parameters).\n\n## Pipeline output\n\nTo see the results of an example test run with a full size dataset refer to the [results](https://nf-co.re/metapep/results) tab on the nf-core website pipeline page.\nFor more details about the output files and reports, please refer to the\n[output documentation](https://nf-co.re/metapep/output).\n\n## Credits\n\nnf-core/metapep was written by [L\u00e9on Kuchenbecker](https://github.com/lkuchenb) at the [Kohlbacher lab](https://kohlbacherlab.org), [Sabrina Krakau](https://github.com/skrakau) and [Till Englert](https://github.com/tillenglert) at the [QBiC](http://qbic.life/).\n\nWe thank the following people for their extensive assistance in the development of this pipeline:\n\n- [Antonia Schuster](https://github.com/AntoniaSchuster)\n- [Daniel Straub](https://github.com/d4straub)\n\n## Contributions and Support\n\nIf you would like to contribute to this pipeline, please see the [contributing guidelines](.github/CONTRIBUTING.md).\n\nFor further information or help, don't hesitate to get in touch on the [Slack `#metapep` channel](https://nfcore.slack.com/channels/metapep) (you can join with [this invite](https://nf-co.re/join/slack)).\n\n## Citations\n\nIf you use nf-core/metapep for your analysis, please cite it using the following doi: [10.5281/zenodo.14202996](https://doi.org/10.5281/zenodo.14202996)\n\nAn extensive list of references for the tools used by the pipeline can be found in the [`CITATIONS.md`](CITATIONS.md) file.\n\nYou can cite the `nf-core` publication as follows:\n\n> **The nf-core framework for community-curated bioinformatics pipelines.**\n>\n> Philip Ewels, Alexander Peltzer, Sven Fillinger, Harshil Patel, Johannes Alneberg, Andreas Wilm, Maxime Ulysse Garcia, Paolo Di Tommaso & Sven Nahnsen.\n>\n> _Nat Biotechnol._ 2020 Feb 13. doi: [10.1038/s41587-020-0439-x](https://dx.doi.org/10.1038/s41587-020-0439-x).\n",
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tests/.nftignore

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