From 7da350c997f16ff68b5114f8b00712043c8cdd95 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 26 Apr 2023 11:29:11 +0200 Subject: [PATCH 01/36] Release version bump + fix tiny process name issue --- CHANGELOG.md | 2 +- conf/base.config | 2 +- nextflow.config | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 3742446d..e3d5c541 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.1.0dev - [unreleased] +## v1.1.0 - British Beans on Toast - [2023-04-26] ### `Added` diff --git a/conf/base.config b/conf/base.config index 79c76f21..c517364b 100644 --- a/conf/base.config +++ b/conf/base.config @@ -96,7 +96,7 @@ process { cpus = 1 } - withName: BAKTA { + withName: BAKTA_BAKTA { memory = { check_max( 64.GB * task.attempt, 'memory' ) } cpus = { check_max( 8 * task.attempt, 'cpus' ) } time = { check_max( 8.h * task.attempt, 'time' ) } diff --git a/nextflow.config b/nextflow.config index 03e61fb0..9a07c10b 100644 --- a/nextflow.config +++ b/nextflow.config @@ -352,7 +352,7 @@ manifest { description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.1.0dev' + version = '1.1.0' doi = '10.5281/zenodo.7643099' } From 66bc7e4dba3f2b088487a99bad0c4eafd53bfafc Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 26 Apr 2023 11:31:55 +0200 Subject: [PATCH 02/36] Update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index e3d5c541..466804cf 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -24,6 +24,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#242](https://github.com/nf-core/funcscan/pull/242) Fixed MACREL '.faa' issue that was generated when it was run on its own and upgraded MACREL from version `1.1.0` to `1.2.0` (by @Darcy220606) - [#248](https://github.com/nf-core/funcscan/pull/248) Applied best-practice `error("message")` to all (sub)workflow files. (by @jasmezz) - [#254](https://github.com/nf-core/funcscan/pull/254) Further resource optimisation based on feedback from 'real world' datasets. (ongoing, reported by @alexhbnr and @Darcy220606, fix by @jfy133) +- [#266](https://github.com/nf-core/funcscan/pull/266) Fixed wrong process name in base.config. (reported by @Darcy220606, fix by @jasmezz) ### `Dependencies` From 7b17f18e13d0f0e291936b5b0ce342ee63fe316e Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 26 Apr 2023 11:51:33 +0200 Subject: [PATCH 03/36] Add Pyrodigal to README.md --- CHANGELOG.md | 1 + README.md | 2 +- 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 466804cf..6f3e082d 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,6 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#252](https://github.com/nf-core/funcscan/pull/252) Added a new parameter `-arg_rgi_savejson` that saves the file `.json` in the RGI directory. The default ouput for RGI is now only `.txt`. (by @darcy220606) - [#253](https://github.com/nf-core/funcscan/pull/253) Updated Prodigal to have compressed output files. (by @jasmezz) - [#262](https://github.com/nf-core/funcscan/pull/262) Added comBGC function to screen whole directory of antiSMASH output (one subfolder per sample). (by @jasmezz) +- [#266](https://github.com/nf-core/funcscan/pull/266) Updated README.md with Pyrodigal. (by @jasmezz) ### `Fixed` diff --git a/README.md b/README.md index 16bee297..02786cc2 100644 --- a/README.md +++ b/README.md @@ -21,7 +21,7 @@ The nf-core/funcscan AWS full test dataset are contigs generated by the MGnify s ## Pipeline summary -1. Annotation of assembled prokaryotic contigs with [`Prodigal`](https://github.com/hyattpd/Prodigal), [`Prokka`](https://github.com/tseemann/prokka), or [`Bakta`](https://github.com/oschwengers/bakta) +1. Annotation of assembled prokaryotic contigs with [`Prodigal`](https://github.com/hyattpd/Prodigal), [`Pyrodigal`](https://github.com/althonos/pyrodigal), [`Prokka`](https://github.com/tseemann/prokka), or [`Bakta`](https://github.com/oschwengers/bakta) 2. Screening contigs for antimicrobial peptide-like sequences with [`ampir`](https://cran.r-project.org/web/packages/ampir/index.html), [`Macrel`](https://github.com/BigDataBiology/macrel), [`HMMER`](http://hmmer.org/), [`AMPlify`](https://github.com/bcgsc/AMPlify) 3. Screening contigs for antibiotic resistant gene-like sequences with [`ABRicate`](https://github.com/tseemann/abricate), [`AMRFinderPlus`](https://github.com/ncbi/amr), [`fARGene`](https://github.com/fannyhb/fargene), [`RGI`](https://card.mcmaster.ca/analyze/rgi), [`DeepARG`](https://bench.cs.vt.edu/deeparg) 4. Screening contigs for biosynthetic gene cluster-like sequences with [`antiSMASH`](https://antismash.secondarymetabolites.org), [`DeepBGC`](https://github.com/Merck/deepbgc), [`GECCO`](https://gecco.embl.de/), [`HMMER`](http://hmmer.org/) From 9991bf7b1356df86d432affcfca8d22c9cd6a4f1 Mon Sep 17 00:00:00 2001 From: James Fellows Yates Date: Wed, 26 Apr 2023 12:47:28 +0200 Subject: [PATCH 04/36] Fixes Icon font issue, updates workflow to include Pyrodigal, updates icon across all logso and reduces logo text size --- docs/images/funcscan_icon.png | Bin 0 -> 67998 bytes docs/images/funcscan_icon.svg | 366 ++++++++++++- docs/images/funcscan_metro_workflow.png | Bin 395572 -> 397237 bytes docs/images/funcscan_metro_workflow.svg | 515 +++++++++++------- docs/images/funscan_icon.png | Bin 58260 -> 0 bytes .../nf-core-funcscan_logo_flat_dark.png | Bin 25245 -> 20870 bytes .../nf-core-funcscan_logo_flat_dark.svg | 440 ++++++++++++++- .../nf-core-funcscan_logo_flat_light.png | Bin 26530 -> 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a/docs/images/nf-core-funcscan_logo_flat_light.svg b/docs/images/nf-core-funcscan_logo_flat_light.svg index 80856976..fd4e0f83 100644 --- a/docs/images/nf-core-funcscan_logo_flat_light.svg +++ b/docs/images/nf-core-funcscan_logo_flat_light.svg @@ -9,8 +9,8 @@ height="170.86" inkscape:version="1.2.2 (1:1.2.2+202212051552+b0a8486541)" inkscape:export-filename="nf-core-funcscan_logo_flat_light.png" - inkscape:export-xdpi="96" - inkscape:export-ydpi="96" + inkscape:export-xdpi="300" + inkscape:export-ydpi="300" xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape" xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd" xmlns="http://www.w3.org/2000/svg" @@ -25,10 +25,10 @@ inkscape:deskcolor="#505050" showgrid="false" inkscape:zoom="1.8978415" - inkscape:cx="226.83665" + inkscape:cx="219.19639" inkscape:cy="96.952248" inkscape:window-width="1920" - inkscape:window-height="1043" + inkscape:window-height="1163" inkscape:window-x="0" inkscape:window-y="0" inkscape:window-maximized="1" From 5650e1969955d2912b7928e8eafbb74f525b7688 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Thu, 27 Apr 2023 11:48:08 +0000 Subject: [PATCH 07/36] Apply suggestions from code review Co-authored-by: Kevin L. Keys Co-authored-by: Daniel Lundin --- bin/ampcombi_download.py | 2 +- docs/output.md | 2 +- docs/usage.md | 4 ++-- nextflow.config | 6 +++--- 4 files changed, 7 insertions(+), 7 deletions(-) diff --git a/bin/ampcombi_download.py b/bin/ampcombi_download.py index 58b99693..0b53d3cc 100755 --- a/bin/ampcombi_download.py +++ b/bin/ampcombi_download.py @@ -68,7 +68,7 @@ def download_DRAMP(db): "T", "V", "W", - ",Y", + "Y" ] new = "".join(i for i in sequence if i in letters) f.write(">" + id + "\n" + new + "\n") diff --git a/docs/output.md b/docs/output.md index abfc1ba0..39c038da 100644 --- a/docs/output.md +++ b/docs/output.md @@ -130,7 +130,7 @@ Output Summaries: -[Pyrodigal](https://github.com/althonos/pyrodigal) annotates whole (meta-)genomes by identifying ORFs in a set of genomic DNA sequences. It produces the same results as [Prodigal](#prodigal) while being more resource-optimized, thus faster. Other than Prodigal, Pyrodigal cannot produce output in GenBank format. The output is used by some of the functional screening tools. +[Pyrodigal](https://github.com/althonos/pyrodigal) annotates whole (meta-)genomes by identifying ORFs in a set of genomic DNA sequences. It produces the same results as [Prodigal](#prodigal) while being more resource-optimized, thus faster. Unlike Prodigal, Pyrodigal cannot produce output in GenBank format. The output is used by some of the functional screening tools. #### Prokka diff --git a/docs/usage.md b/docs/usage.md index 6df046bf..36b46428 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -82,7 +82,7 @@ To prevent entire pipeline failures due to a single 'bad sample', nf-core/funcsc When the annotation is run with Prokka, the resulting `.gbk` file passed to antiSMASH may produce the error `translation longer than location allows` and end the pipeline run. This Prokka bug has been reported before (see [discussion on GitHub](https://github.com/antismash/antismash/discussions/450)) and is not likely to be fixed soon. -> ⚠️ If antiSMASH is run for BGC detection, we recommend to **not** run Prokka for annotation but instead use the default annotation tool (Pyrodigal) or switch to Prodigal, or Bakta (the latter to bacteria only!). +> ⚠️ If antiSMASH is run for BGC detection, we recommend to **not** run Prokka for annotation but instead use the default annotation tool (Pyrodigal) or switch to Prodigal, or (for bacteria only!) Bakta. ## Databases and reference files @@ -100,7 +100,7 @@ As a reference, we will describe below where and how you can obtain databases an nf-core/funcscan offers multiple tools for annotating input sequences. Bakta is a new tool touted as a bacteria-only successor to the well-established Prokka. -To supply the preferred Bakta database (and not have the pipeline download at every new run), use the flag `--annotation_bakta_db_localpath`. The full or light Bakta database must be downloaded from the Bakta Zenodo archive, the link of which can be found on the [Bakta GitHub repository](https://github.com/oschwengers/bakta#database-download). +To supply the preferred Bakta database (and not have the pipeline download it for every new run), use the flag `--annotation_bakta_db_localpath`. The full or light Bakta database must be downloaded from the Bakta Zenodo archive, the link of which can be found on the [Bakta GitHub repository](https://github.com/oschwengers/bakta#database-download). Once downloaded this must be untarred: diff --git a/nextflow.config b/nextflow.config index 9a07c10b..80b458d0 100644 --- a/nextflow.config +++ b/nextflow.config @@ -27,9 +27,9 @@ params { annotation_prodigal_forcenonsd = false annotation_pyrodigal_singlemode = false - annotation_pyrodigal_closed = false - annotation_pyrodigal_transtable = 11 - annotation_pyrodigal_forcenonsd = false + annotation_pyrodigal_closed = false + annotation_pyrodigal_transtable = 11 + annotation_pyrodigal_forcenonsd = false annotation_bakta_db_localpath = null annotation_bakta_db_downloadtype = 'full' From af57abed0151e5092fb6ffe6ba8caecd9acc4500 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Thu, 27 Apr 2023 13:15:54 +0000 Subject: [PATCH 08/36] Fix linting --- bin/ampcombi_download.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/bin/ampcombi_download.py b/bin/ampcombi_download.py index 0b53d3cc..dd1373ce 100755 --- a/bin/ampcombi_download.py +++ b/bin/ampcombi_download.py @@ -68,7 +68,7 @@ def download_DRAMP(db): "T", "V", "W", - "Y" + "Y", ] new = "".join(i for i in sequence if i in letters) f.write(">" + id + "\n" + new + "\n") From 33a438c1d70ac4bf8c3a1032999dbc483a49c505 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 28 Apr 2023 00:09:59 +0200 Subject: [PATCH 09/36] Version bump + correct last release date --- CHANGELOG.md | 12 +++++++++++- nextflow.config | 2 +- 2 files changed, 12 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 28c61610..4f9570c8 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,17 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.1.0 - British Beans on Toast - [2023-04-26] +## v1.1.1dev - [unreleased] + +### `Added` + +### `Fixed` + +### `Dependencies` + +### `Deprecated` + +## v1.1.0 - British Beans on Toast - [2023-04-27] ### `Added` diff --git a/nextflow.config b/nextflow.config index 80b458d0..3d2a3bbc 100644 --- a/nextflow.config +++ b/nextflow.config @@ -352,7 +352,7 @@ manifest { description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.1.0' + version = '1.1.0dev' doi = '10.5281/zenodo.7643099' } From ea4820a65e330298159417a7e29e70affc23a6da Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 28 Apr 2023 00:15:09 +0200 Subject: [PATCH 10/36] Correct version --- nextflow.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow.config b/nextflow.config index 3d2a3bbc..354e15fa 100644 --- a/nextflow.config +++ b/nextflow.config @@ -352,7 +352,7 @@ manifest { description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.1.0dev' + version = '1.1.1dev' doi = '10.5281/zenodo.7643099' } From 91eb53236dcf12401253ec26aea99185a7f82a7c Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Fri, 28 Apr 2023 14:21:29 +0000 Subject: [PATCH 11/36] Template update for nf-core/tools version 2.8 --- .editorconfig | 2 +- .github/ISSUE_TEMPLATE/bug_report.yml | 2 +- .github/PULL_REQUEST_TEMPLATE.md | 3 +- .github/workflows/awsfulltest.yml | 2 +- .github/workflows/awstest.yml | 2 +- .github/workflows/branch.yml | 2 +- .github/workflows/clean-up.yml | 24 ++++ .github/workflows/linting.yml | 2 +- .pre-commit-config.yaml | 5 + CHANGELOG.md | 2 +- LICENSE | 2 +- README.md | 76 +++++----- bin/check_samplesheet.py | 3 - conf/base.config | 2 +- conf/igenomes.config | 8 ++ conf/test_full.config | 2 + docs/usage.md | 130 +++++------------- lib/NfcoreSchema.groovy | 4 +- lib/WorkflowFuncscan.groovy | 12 +- lib/WorkflowMain.groovy | 13 +- main.nf | 1 - modules.json | 4 +- modules/local/samplesheet_check.nf | 2 +- .../custom/dumpsoftwareversions/main.nf | 6 +- .../custom/dumpsoftwareversions/meta.yml | 2 + modules/nf-core/multiqc/main.nf | 6 +- modules/nf-core/multiqc/meta.yml | 3 +- nextflow.config | 33 ++++- tower.yml | 5 + 29 files changed, 198 insertions(+), 162 deletions(-) create mode 100644 .github/workflows/clean-up.yml create mode 100644 .pre-commit-config.yaml create mode 100644 tower.yml diff --git a/.editorconfig b/.editorconfig index b78de6e6..b6b31907 100644 --- a/.editorconfig +++ b/.editorconfig @@ -8,7 +8,7 @@ trim_trailing_whitespace = true indent_size = 4 indent_style = space -[*.{md,yml,yaml,html,css,scss,js,cff}] +[*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 # These files are edited and tested upstream in nf-core/modules diff --git a/.github/ISSUE_TEMPLATE/bug_report.yml b/.github/ISSUE_TEMPLATE/bug_report.yml index 027fd8e4..7fe6cd6d 100644 --- a/.github/ISSUE_TEMPLATE/bug_report.yml +++ b/.github/ISSUE_TEMPLATE/bug_report.yml @@ -45,6 +45,6 @@ body: * Nextflow version _(eg. 22.10.1)_ * Hardware _(eg. HPC, Desktop, Cloud)_ * Executor _(eg. slurm, local, awsbatch)_ - * Container engine: _(e.g. Docker, Singularity, Conda, Podman, Shifter or Charliecloud)_ + * Container engine: _(e.g. Docker, Singularity, Conda, Podman, Shifter, Charliecloud, or Apptainer)_ * OS _(eg. CentOS Linux, macOS, Linux Mint)_ * Version of nf-core/funcscan _(eg. 1.1, 1.5, 1.8.2)_ diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 72541c89..2ebc49ce 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -15,7 +15,8 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/func - [ ] 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](https://github.com/nf-core/funcscan/tree/master/.github/CONTRIBUTING.md)- [ ] If necessary, also make a PR on the nf-core/funcscan _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. +- [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/funcscan/tree/master/.github/CONTRIBUTING.md) +- [ ] If necessary, also make a PR on the nf-core/funcscan _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. - [ ] Make sure your code lints (`nf-core lint`). - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index cd924f8a..057dc38c 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -14,7 +14,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Launch workflow via tower - uses: nf-core/tower-action@v3 + uses: seqeralabs/action-tower-launch@v1 # TODO nf-core: You can customise AWS full pipeline tests as required # Add full size test data (but still relatively small datasets for few samples) # on the `test_full.config` test runs with only one set of parameters diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml index b134d79e..b50ef8e8 100644 --- a/.github/workflows/awstest.yml +++ b/.github/workflows/awstest.yml @@ -12,7 +12,7 @@ jobs: steps: # Launch workflow using Tower CLI tool action - name: Launch workflow via tower - uses: nf-core/tower-action@v3 + uses: seqeralabs/action-tower-launch@v1 with: workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }} access_token: ${{ secrets.TOWER_ACCESS_TOKEN }} diff --git a/.github/workflows/branch.yml b/.github/workflows/branch.yml index c51604fe..76d358ff 100644 --- a/.github/workflows/branch.yml +++ b/.github/workflows/branch.yml @@ -13,7 +13,7 @@ jobs: - name: Check PRs if: github.repository == 'nf-core/funcscan' run: | - { [[ ${{github.event.pull_request.head.repo.full_name }} == nf-core/funcscan ]] && [[ $GITHUB_HEAD_REF = "dev" ]]; } || [[ $GITHUB_HEAD_REF == "patch" ]] + { [[ ${{github.event.pull_request.head.repo.full_name }} == nf-core/funcscan ]] && [[ $GITHUB_HEAD_REF == "dev" ]]; } || [[ $GITHUB_HEAD_REF == "patch" ]] # If the above check failed, post a comment on the PR explaining the failure # NOTE - this doesn't currently work if the PR is coming from a fork, due to limitations in GitHub actions secrets diff --git a/.github/workflows/clean-up.yml b/.github/workflows/clean-up.yml new file mode 100644 index 00000000..694e90ec --- /dev/null +++ b/.github/workflows/clean-up.yml @@ -0,0 +1,24 @@ +name: "Close user-tagged issues and PRs" +on: + schedule: + - cron: "0 0 * * 0" # Once a week + +jobs: + clean-up: + runs-on: ubuntu-latest + permissions: + issues: write + pull-requests: write + steps: + - uses: actions/stale@v7 + with: + stale-issue-message: "This issue has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment otherwise this issue will be closed in 20 days." + stale-pr-message: "This PR has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor. Remove stale label or add a comment if it is still useful." + close-issue-message: "This issue was closed because it has been tagged as awaiting-changes or awaiting-feedback by an nf-core contributor and then staled for 20 days with no activity." + days-before-stale: 30 + days-before-close: 20 + days-before-pr-close: -1 + any-of-labels: "awaiting-changes,awaiting-feedback" + exempt-issue-labels: "WIP" + exempt-pr-labels: "WIP" + repo-token: "${{ secrets.GITHUB_TOKEN }}" diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 858d622e..888cb4bc 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -78,7 +78,7 @@ jobs: - uses: actions/setup-python@v4 with: - python-version: "3.7" + python-version: "3.8" architecture: "x64" - name: Install dependencies diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 00000000..0c31cdb9 --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,5 @@ +repos: + - repo: https://github.com/pre-commit/mirrors-prettier + rev: "v2.7.1" + hooks: + - id: prettier diff --git a/CHANGELOG.md b/CHANGELOG.md index 4e462d5c..76b5ef02 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.0dev - [date] +## v1.1.0 - [date] Initial release of nf-core/funcscan, created with the [nf-core](https://nf-co.re/) template. diff --git a/LICENSE b/LICENSE index 076b7ed6..a5c91c03 100644 --- a/LICENSE +++ b/LICENSE @@ -1,6 +1,6 @@ MIT License -Copyright (c) Jasmin Frangenberg, Anan Ibrahim, James A. Fellows Yates +Copyright (c) Jasmin Frangenberg, Anan Ibrahim, Louisa Perelo, Moritz E. Beber, James A. Fellows Yates Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal diff --git a/README.md b/README.md index 22ebef2c..9509636f 100644 --- a/README.md +++ b/README.md @@ -8,61 +8,75 @@ [![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/) [![Launch on Nextflow Tower](https://img.shields.io/badge/Launch%20%F0%9F%9A%80-Nextflow%20Tower-%234256e7)](https://tower.nf/launch?pipeline=https://github.com/nf-core/funcscan) -[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23funcscan-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/funcscan)[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?labelColor=000000&logo=twitter)](https://twitter.com/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) +[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23funcscan-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/funcscan)[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?labelColor=000000&logo=twitter)](https://twitter.com/nf_core)[![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) ## Introduction - +**nf-core/funcscan** is a bioinformatics pipeline that ... -**nf-core/funcscan** is a bioinformatics best-practice analysis pipeline for Pipeline for screening for functional components of assembled contigs. - -The 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! - - - -On 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/funcscan/results). - -## Pipeline summary + + 1. Read QC ([`FastQC`](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/)) 2. Present QC for raw reads ([`MultiQC`](http://multiqc.info/)) -## Quick Start +## Usage + +> **Note** +> 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. + + - Note that some form of configuration will be needed so that Nextflow knows how to fetch the required software. This is usually done in the form of a config profile (`YOURPROFILE` in the example command above). You can chain multiple config profiles in a comma-separated string. +Now, you can run the pipeline using: - > - The pipeline comes with config profiles called `docker`, `singularity`, `podman`, `shifter`, `charliecloud` and `conda` which instruct the pipeline to use the named tool for software management. For example, `-profile test,docker`. - > - Please check [nf-core/configs](https://github.com/nf-core/configs#documentation) to see if a custom config file to run nf-core pipelines already exists for your Institute. If so, you can simply use `-profile ` in your command. This will enable either `docker` or `singularity` and set the appropriate execution settings for your local compute environment. - > - If you are using `singularity`, please use the [`nf-core download`](https://nf-co.re/tools/#downloading-pipelines-for-offline-use) command to download images first, before running the pipeline. Setting the [`NXF_SINGULARITY_CACHEDIR` or `singularity.cacheDir`](https://www.nextflow.io/docs/latest/singularity.html?#singularity-docker-hub) Nextflow options enables you to store and re-use the images from a central location for future pipeline runs. - > - If you are using `conda`, it is highly recommended to use the [`NXF_CONDA_CACHEDIR` or `conda.cacheDir`](https://www.nextflow.io/docs/latest/conda.html) settings to store the environments in a central location for future pipeline runs. + -4. Start running your own analysis! +```bash +nextflow run nf-core/funcscan \ + -profile \ + --input samplesheet.csv \ + --outdir +``` - +> **Warning:** +> 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/usage/configuration#custom-configuration-files). - ```bash - nextflow run nf-core/funcscan --input samplesheet.csv --outdir --genome GRCh37 -profile - ``` +For more details, please refer to the [usage documentation](https://nf-co.re/funcscan/usage) and the [parameter documentation](https://nf-co.re/funcscan/parameters). -## Documentation +## Pipeline output -The nf-core/funcscan pipeline comes with documentation about the pipeline [usage](https://nf-co.re/funcscan/usage), [parameters](https://nf-co.re/funcscan/parameters) and [output](https://nf-co.re/funcscan/output). +To see the the results of a test run with a full size dataset refer to the [results](https://nf-co.re/funcscan/results) tab on the nf-core website pipeline page. +For more details about the output files and reports, please refer to the +[output documentation](https://nf-co.re/funcscan/output). ## Credits -nf-core/funcscan was originally written by Jasmin Frangenberg, Anan Ibrahim, James A. Fellows Yates. +nf-core/funcscan was originally written by Jasmin Frangenberg, Anan Ibrahim, Louisa Perelo, Moritz E. Beber, James A. Fellows Yates. We thank the following people for their extensive assistance in the development of this pipeline: diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py index 11b15572..4a758fe0 100755 --- a/bin/check_samplesheet.py +++ b/bin/check_samplesheet.py @@ -158,9 +158,6 @@ def sniff_format(handle): peek = read_head(handle) handle.seek(0) sniffer = csv.Sniffer() - if not sniffer.has_header(peek): - logger.critical("The given sample sheet does not appear to contain a header.") - sys.exit(1) dialect = sniffer.sniff(peek) return dialect diff --git a/conf/base.config b/conf/base.config index cf390dac..ee9bbc1e 100644 --- a/conf/base.config +++ b/conf/base.config @@ -15,7 +15,7 @@ process { memory = { check_max( 6.GB * task.attempt, 'memory' ) } time = { check_max( 4.h * task.attempt, 'time' ) } - errorStrategy = { task.exitStatus in [143,137,104,134,139] ? 'retry' : 'finish' } + errorStrategy = { task.exitStatus in ((130..145) + 104) ? 'retry' : 'finish' } maxRetries = 1 maxErrors = '-1' diff --git a/conf/igenomes.config b/conf/igenomes.config index 7a1b3ac6..3f114377 100644 --- a/conf/igenomes.config +++ b/conf/igenomes.config @@ -36,6 +36,14 @@ params { macs_gsize = "2.7e9" blacklist = "${projectDir}/assets/blacklists/hg38-blacklist.bed" } + 'CHM13' { + fasta = "${params.igenomes_base}/Homo_sapiens/UCSC/CHM13/Sequence/WholeGenomeFasta/genome.fa" + bwa = "${params.igenomes_base}/Homo_sapiens/UCSC/CHM13/Sequence/BWAIndex/" + bwamem2 = "${params.igenomes_base}/Homo_sapiens/UCSC/CHM13/Sequence/BWAmem2Index/" + gtf = "${params.igenomes_base}/Homo_sapiens/NCBI/CHM13/Annotation/Genes/genes.gtf" + gff = "ftp://ftp.ncbi.nlm.nih.gov/genomes/all/GCF/009/914/755/GCF_009914755.1_T2T-CHM13v2.0/GCF_009914755.1_T2T-CHM13v2.0_genomic.gff.gz" + mito_name = "chrM" + } 'GRCm38' { fasta = "${params.igenomes_base}/Mus_musculus/Ensembl/GRCm38/Sequence/WholeGenomeFasta/genome.fa" bwa = "${params.igenomes_base}/Mus_musculus/Ensembl/GRCm38/Sequence/BWAIndex/version0.6.0/" diff --git a/conf/test_full.config b/conf/test_full.config index e214b231..03bc5f7e 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -10,6 +10,8 @@ ---------------------------------------------------------------------------------------- */ +cleanup = true + params { config_profile_name = 'Full test profile' config_profile_description = 'Full test dataset to check pipeline function' diff --git a/docs/usage.md b/docs/usage.md index 93e5948c..12ce9983 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -71,6 +71,29 @@ work # Directory containing the nextflow working files # Other nextflow hidden files, eg. history of pipeline runs and old logs. ``` +If you wish to repeatedly use the same parameters for multiple runs, rather than specifying each flag in the command, you can specify these in a params file. + +Pipeline settings can be provided in a `yaml` or `json` file via `-params-file `. + +> ⚠️ Do not use `-c ` to specify parameters as this will result in errors. Custom config files specified with `-c` must only be used for [tuning process resource specifications](https://nf-co.re/docs/usage/configuration#tuning-workflow-resources), other infrastructural tweaks (such as output directories), or module arguments (args). +> The above pipeline run specified with a params file in yaml format: + +```bash +nextflow run nf-core/funcscan -profile docker -params-file params.yaml +``` + +with `params.yaml` containing: + +```yaml +input: './samplesheet.csv' +outdir: './results/' +genome: 'GRCh37' +input: 'data' +<...> +``` + +You can also generate such `YAML`/`JSON` files via [nf-core/launch](https://nf-co.re/launch). + ### Updating the pipeline When you run the above command, Nextflow automatically pulls the pipeline code from GitHub and stores it as a cached version. When running the pipeline after this, it will always use the cached version if available - even if the pipeline has been updated since. To make sure that you're running the latest version of the pipeline, make sure that you regularly update the cached version of the pipeline: @@ -87,6 +110,10 @@ First, go to the [nf-core/funcscan releases page](https://github.com/nf-core/fun This version number will be logged in reports when you run the pipeline, so that you'll know what you used when you look back in the future. For example, at the bottom of the MultiQC reports. +To further assist in reproducbility, you can use share and re-use [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. + +> 💡 If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. + ## Core Nextflow arguments > **NB:** These options are part of Nextflow and use a _single_ hyphen (pipeline parameters use a double-hyphen). @@ -95,7 +122,7 @@ This version number will be logged in reports when you run the pipeline, so that Use this parameter to choose a configuration profile. Profiles can give configuration presets for different compute environments. -Several generic profiles are bundled with the pipeline which instruct the pipeline to use software packaged using different methods (Docker, Singularity, Podman, Shifter, Charliecloud, Conda) - see below. +Several generic profiles are bundled with the pipeline which instruct the pipeline to use software packaged using different methods (Docker, Singularity, Podman, Shifter, Charliecloud, Apptainer, Conda) - see below. > We highly recommend the use of Docker or Singularity containers for full pipeline reproducibility, however when this is not possible, Conda is also supported. @@ -119,8 +146,10 @@ If `-profile` is not specified, the pipeline will run locally and expect all sof - A generic configuration profile to be used with [Shifter](https://nersc.gitlab.io/development/shifter/how-to-use/) - `charliecloud` - A generic configuration profile to be used with [Charliecloud](https://hpc.github.io/charliecloud/) +- `apptainer` + - A generic configuration profile to be used with [Apptainer](https://apptainer.org/) - `conda` - - A generic configuration profile to be used with [Conda](https://conda.io/docs/). Please only use Conda as a last resort i.e. when it's not possible to run the pipeline with Docker, Singularity, Podman, Shifter or Charliecloud. + - A generic configuration profile to be used with [Conda](https://conda.io/docs/). Please only use Conda as a last resort i.e. when it's not possible to run the pipeline with Docker, Singularity, Podman, Shifter, Charliecloud, or Apptainer. ### `-resume` @@ -138,102 +167,19 @@ Specify the path to a specific config file (this is a core Nextflow command). Se Whilst the default requirements set within the pipeline will hopefully work for most people and with most input data, you may find that you want to customise the compute resources that the pipeline requests. Each step in the pipeline has a default set of requirements for number of CPUs, memory and time. For most of the steps in the pipeline, if the job exits with any of the error codes specified [here](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/conf/base.config#L18) it will automatically be resubmitted with higher requests (2 x original, then 3 x original). If it still fails after the third attempt then the pipeline execution is stopped. -For example, if the nf-core/rnaseq pipeline is failing after multiple re-submissions of the `STAR_ALIGN` process due to an exit code of `137` this would indicate that there is an out of memory issue: - -```console -[62/149eb0] NOTE: Process `NFCORE_RNASEQ:RNASEQ:ALIGN_STAR:STAR_ALIGN (WT_REP1)` terminated with an error exit status (137) -- Execution is retried (1) -Error executing process > 'NFCORE_RNASEQ:RNASEQ:ALIGN_STAR:STAR_ALIGN (WT_REP1)' - -Caused by: - Process `NFCORE_RNASEQ:RNASEQ:ALIGN_STAR:STAR_ALIGN (WT_REP1)` terminated with an error exit status (137) - -Command executed: - STAR \ - --genomeDir star \ - --readFilesIn WT_REP1_trimmed.fq.gz \ - --runThreadN 2 \ - --outFileNamePrefix WT_REP1. \ - - -Command exit status: - 137 - -Command output: - (empty) - -Command error: - .command.sh: line 9: 30 Killed STAR --genomeDir star --readFilesIn WT_REP1_trimmed.fq.gz --runThreadN 2 --outFileNamePrefix WT_REP1. -Work dir: - /home/pipelinetest/work/9d/172ca5881234073e8d76f2a19c88fb - -Tip: you can replicate the issue by changing to the process work dir and entering the command `bash .command.run` -``` - -#### For beginners - -A first step to bypass this error, you could try to increase the amount of CPUs, memory, and time for the whole pipeline. Therefor you can try to increase the resource for the parameters `--max_cpus`, `--max_memory`, and `--max_time`. Based on the error above, you have to increase the amount of memory. Therefore you can go to the [parameter documentation of rnaseq](https://nf-co.re/rnaseq/3.9/parameters) and scroll down to the `show hidden parameter` button to get the default value for `--max_memory`. In this case 128GB, you than can try to run your pipeline again with `--max_memory 200GB -resume` to skip all process, that were already calculated. If you can not increase the resource of the complete pipeline, you can try to adapt the resource for a single process as mentioned below. - -#### Advanced option on process level - -To bypass this error you would need to find exactly which resources are set by the `STAR_ALIGN` process. The quickest way is to search for `process STAR_ALIGN` in the [nf-core/rnaseq Github repo](https://github.com/nf-core/rnaseq/search?q=process+STAR_ALIGN). -We have standardised the structure of Nextflow DSL2 pipelines such that all module files will be present in the `modules/` directory and so, based on the search results, the file we want is `modules/nf-core/star/align/main.nf`. -If you click on the link to that file you will notice that there is a `label` directive at the top of the module that is set to [`label process_high`](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/modules/nf-core/software/star/align/main.nf#L9). -The [Nextflow `label`](https://www.nextflow.io/docs/latest/process.html#label) directive allows us to organise workflow processes in separate groups which can be referenced in a configuration file to select and configure subset of processes having similar computing requirements. -The default values for the `process_high` label are set in the pipeline's [`base.config`](https://github.com/nf-core/rnaseq/blob/4c27ef5610c87db00c3c5a3eed10b1d161abf575/conf/base.config#L33-L37) which in this case is defined as 72GB. -Providing you haven't set any other standard nf-core parameters to **cap** the [maximum resources](https://nf-co.re/usage/configuration#max-resources) used by the pipeline then we can try and bypass the `STAR_ALIGN` process failure by creating a custom config file that sets at least 72GB of memory, in this case increased to 100GB. -The custom config below can then be provided to the pipeline via the [`-c`](#-c) parameter as highlighted in previous sections. - -```nextflow -process { - withName: 'NFCORE_RNASEQ:RNASEQ:ALIGN_STAR:STAR_ALIGN' { - memory = 100.GB - } -} -``` - -> **NB:** We specify the full process name i.e. `NFCORE_RNASEQ:RNASEQ:ALIGN_STAR:STAR_ALIGN` in the config file because this takes priority over the short name (`STAR_ALIGN`) and allows existing configuration using the full process name to be correctly overridden. -> -> If you get a warning suggesting that the process selector isn't recognised check that the process name has been specified correctly. - -### Updating containers (advanced users) - -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. If for some reason you need to use a different version of a particular tool with the pipeline then you just need to identify the `process` name and override the Nextflow `container` definition for that process using the `withName` declaration. For example, in the [nf-core/viralrecon](https://nf-co.re/viralrecon) pipeline a tool called [Pangolin](https://github.com/cov-lineages/pangolin) has been used during the COVID-19 pandemic to assign lineages to SARS-CoV-2 genome sequenced samples. Given that the lineage assignments change quite frequently it doesn't make sense to re-release the nf-core/viralrecon everytime a new version of Pangolin has been released. However, you can override the default container used by the pipeline by creating a custom config file and passing it as a command-line argument via `-c custom.config`. - -1. Check the default version used by the pipeline in the module file for [Pangolin](https://github.com/nf-core/viralrecon/blob/a85d5969f9025409e3618d6c280ef15ce417df65/modules/nf-core/software/pangolin/main.nf#L14-L19) -2. Find the latest version of the Biocontainer available on [Quay.io](https://quay.io/repository/biocontainers/pangolin?tag=latest&tab=tags) -3. Create the custom config accordingly: - - - For Docker: +To change the resource requests, please see the [max resources](https://nf-co.re/docs/usage/configuration#max-resources) and [tuning workflow resources](https://nf-co.re/docs/usage/configuration#tuning-workflow-resources) section of the nf-core website. - ```nextflow - process { - withName: PANGOLIN { - container = 'quay.io/biocontainers/pangolin:3.0.5--pyhdfd78af_0' - } - } - ``` +### Custom Containers - - For Singularity: +In some cases you may wish to change which container or conda environment a step of the pipeline uses for a particular tool. By default nf-core pipelines use containers and software from the [biocontainers](https://biocontainers.pro/) or [bioconda](https://bioconda.github.io/) projects. However in some cases the pipeline specified version maybe out of date. - ```nextflow - process { - withName: PANGOLIN { - container = 'https://depot.galaxyproject.org/singularity/pangolin:3.0.5--pyhdfd78af_0' - } - } - ``` +To use a different container from the default container or conda environment specified in a pipeline, please see the [updating tool versions](https://nf-co.re/docs/usage/configuration#updating-tool-versions) section of the nf-core website. - - For Conda: +### Custom Tool Arguments - ```nextflow - process { - withName: PANGOLIN { - conda = 'bioconda::pangolin=3.0.5' - } - } - ``` +A pipeline might not always support every possible argument or option of a particular tool used in pipeline. Fortunately, nf-core pipelines provide some freedom to users to insert additional parameters that the pipeline does not include by default. -> **NB:** If you wish to periodically update individual tool-specific results (e.g. Pangolin) generated by the pipeline then you must ensure to keep the `work/` directory otherwise the `-resume` ability of the pipeline will be compromised and it will restart from scratch. +To learn how to provide additional arguments to a particular tool of the pipeline, please see the [customising tool arguments](https://nf-co.re/docs/usage/configuration#customising-tool-arguments) section of the nf-core website. ### nf-core/configs diff --git a/lib/NfcoreSchema.groovy b/lib/NfcoreSchema.groovy index 33cd4f6e..9b34804d 100755 --- a/lib/NfcoreSchema.groovy +++ b/lib/NfcoreSchema.groovy @@ -2,6 +2,7 @@ // This file holds several functions used to perform JSON parameter validation, help and summary rendering for the nf-core pipeline template. // +import nextflow.Nextflow import org.everit.json.schema.Schema import org.everit.json.schema.loader.SchemaLoader import org.everit.json.schema.ValidationException @@ -83,6 +84,7 @@ class NfcoreSchema { 'stub-run', 'test', 'w', + 'with-apptainer', 'with-charliecloud', 'with-conda', 'with-dag', @@ -177,7 +179,7 @@ class NfcoreSchema { } if (has_error) { - System.exit(1) + Nextflow.error('Exiting!') } } diff --git a/lib/WorkflowFuncscan.groovy b/lib/WorkflowFuncscan.groovy index 373d9227..bab31d18 100755 --- a/lib/WorkflowFuncscan.groovy +++ b/lib/WorkflowFuncscan.groovy @@ -2,6 +2,7 @@ // This file holds several functions specific to the workflow/funcscan.nf in the nf-core/funcscan pipeline // +import nextflow.Nextflow import groovy.text.SimpleTemplateEngine class WorkflowFuncscan { @@ -14,8 +15,7 @@ class WorkflowFuncscan { if (!params.fasta) { - log.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file." - System.exit(1) + Nextflow.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file." } } @@ -61,17 +61,19 @@ class WorkflowFuncscan { def description_html = engine.createTemplate(methods_text).make(meta) return description_html - }// + } + + // // Exit pipeline if incorrect --genome key provided // private static void genomeExistsError(params, log) { if (params.genomes && params.genome && !params.genomes.containsKey(params.genome)) { - log.error "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + + def error_string = "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " Genome '${params.genome}' not found in any config files provided to the pipeline.\n" + " Currently, the available genome keys are:\n" + " ${params.genomes.keySet().join(", ")}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" - System.exit(1) + Nextflow.error(error_string) } } } diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy index adc3ca98..3564621c 100755 --- a/lib/WorkflowMain.groovy +++ b/lib/WorkflowMain.groovy @@ -2,6 +2,8 @@ // This file holds several functions specific to the main.nf workflow in the nf-core/funcscan pipeline // +import nextflow.Nextflow + class WorkflowMain { // @@ -21,7 +23,7 @@ class WorkflowMain { // // Generate help string // - public static String help(workflow, params, log) { + public static String help(workflow, params) { def command = "nextflow run ${workflow.manifest.name} --input samplesheet.csv --genome GRCh37 -profile docker" def help_string = '' help_string += NfcoreTemplate.logo(workflow, params.monochrome_logs) @@ -34,7 +36,7 @@ class WorkflowMain { // // Generate parameter summary log string // - public static String paramsSummaryLog(workflow, params, log) { + public static String paramsSummaryLog(workflow, params) { def summary_log = '' summary_log += NfcoreTemplate.logo(workflow, params.monochrome_logs) summary_log += NfcoreSchema.paramsSummaryLog(workflow, params) @@ -49,7 +51,7 @@ class WorkflowMain { public static void initialise(workflow, params, log) { // Print help to screen if required if (params.help) { - log.info help(workflow, params, log) + log.info help(workflow, params) System.exit(0) } @@ -61,7 +63,7 @@ class WorkflowMain { } // Print parameter summary log to screen - log.info paramsSummaryLog(workflow, params, log) + log.info paramsSummaryLog(workflow, params) // Validate workflow parameters via the JSON schema if (params.validate_params) { @@ -81,8 +83,7 @@ class WorkflowMain { // Check input has been provided if (!params.input) { - log.error "Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'" - System.exit(1) + Nextflow.error("Please provide an input samplesheet to the pipeline e.g. '--input samplesheet.csv'") } } // diff --git a/main.nf b/main.nf index 29653b91..5251114f 100644 --- a/main.nf +++ b/main.nf @@ -4,7 +4,6 @@ nf-core/funcscan ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Github : https://github.com/nf-core/funcscan - Website: https://nf-co.re/funcscan Slack : https://nfcore.slack.com/channels/funcscan ---------------------------------------------------------------------------------------- diff --git a/modules.json b/modules.json index 61b12a01..2fb457d3 100644 --- a/modules.json +++ b/modules.json @@ -7,7 +7,7 @@ "nf-core": { "custom/dumpsoftwareversions": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "76cc4938c1f6ea5c7d83fed1eeffc146787f9543", "installed_by": ["modules"] }, "fastqc": { @@ -17,7 +17,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "f2d63bd5b68925f98f572eed70993d205cc694b7", "installed_by": ["modules"] } } diff --git a/modules/local/samplesheet_check.nf b/modules/local/samplesheet_check.nf index b1f3d2c6..ca9ba3f5 100644 --- a/modules/local/samplesheet_check.nf +++ b/modules/local/samplesheet_check.nf @@ -5,7 +5,7 @@ process SAMPLESHEET_CHECK { conda "conda-forge::python=3.8.3" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/python:3.8.3' : - 'quay.io/biocontainers/python:3.8.3' }" + 'biocontainers/python:3.8.3' }" input: path samplesheet diff --git a/modules/nf-core/custom/dumpsoftwareversions/main.nf b/modules/nf-core/custom/dumpsoftwareversions/main.nf index 3df21765..800a6099 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/main.nf +++ b/modules/nf-core/custom/dumpsoftwareversions/main.nf @@ -2,10 +2,10 @@ process CUSTOM_DUMPSOFTWAREVERSIONS { label 'process_single' // Requires `pyyaml` which does not have a dedicated container but is in the MultiQC container - conda "bioconda::multiqc=1.13" + conda "bioconda::multiqc=1.14" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.13--pyhdfd78af_0' : - 'quay.io/biocontainers/multiqc:1.13--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : + 'quay.io/biocontainers/multiqc:1.14--pyhdfd78af_0' }" input: path versions diff --git a/modules/nf-core/custom/dumpsoftwareversions/meta.yml b/modules/nf-core/custom/dumpsoftwareversions/meta.yml index 60b546a0..c32657de 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/meta.yml +++ b/modules/nf-core/custom/dumpsoftwareversions/meta.yml @@ -1,7 +1,9 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json name: custom_dumpsoftwareversions description: Custom module used to dump software versions within the nf-core pipeline template keywords: - custom + - dump - version tools: - custom: diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 68f66bea..4b604749 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -1,10 +1,10 @@ process MULTIQC { label 'process_single' - conda "bioconda::multiqc=1.13" + conda "bioconda::multiqc=1.14" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.13--pyhdfd78af_0' : - 'quay.io/biocontainers/multiqc:1.13--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : + 'quay.io/biocontainers/multiqc:1.14--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/multiqc/meta.yml b/modules/nf-core/multiqc/meta.yml index ebc29b27..f93b5ee5 100644 --- a/modules/nf-core/multiqc/meta.yml +++ b/modules/nf-core/multiqc/meta.yml @@ -1,3 +1,4 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/modules/yaml-schema.json name: MultiQC description: Aggregate results from bioinformatics analyses across many samples into a single report keywords: @@ -37,7 +38,7 @@ output: description: MultiQC report file pattern: "multiqc_report.html" - data: - type: dir + type: directory description: MultiQC data dir pattern: "multiqc_data" - plots: diff --git a/nextflow.config b/nextflow.config index 71228712..135eb458 100644 --- a/nextflow.config +++ b/nextflow.config @@ -78,7 +78,11 @@ try { profiles { - debug { process.beforeScript = 'echo $HOSTNAME' } + debug { + dumpHashes = true + process.beforeScript = 'echo $HOSTNAME' + cleanup = false + } conda { conda.enabled = true docker.enabled = false @@ -86,6 +90,7 @@ profiles { podman.enabled = false shifter.enabled = false charliecloud.enabled = false + apptainer.enabled = false } mamba { conda.enabled = true @@ -95,14 +100,18 @@ profiles { podman.enabled = false shifter.enabled = false charliecloud.enabled = false + apptainer.enabled = false } docker { docker.enabled = true + docker.registry = 'quay.io' docker.userEmulation = true + conda.enabled = false singularity.enabled = false podman.enabled = false shifter.enabled = false charliecloud.enabled = false + apptainer.enabled = false } arm { docker.runOptions = '-u $(id -u):$(id -g) --platform=linux/amd64' @@ -110,31 +119,49 @@ profiles { singularity { singularity.enabled = true singularity.autoMounts = true + conda.enabled = false docker.enabled = false podman.enabled = false shifter.enabled = false charliecloud.enabled = false + apptainer.enabled = false } podman { podman.enabled = true + podman.registry = 'quay.io' + conda.enabled = false docker.enabled = false singularity.enabled = false shifter.enabled = false charliecloud.enabled = false + apptainer.enabled = false } shifter { shifter.enabled = true + conda.enabled = false docker.enabled = false singularity.enabled = false podman.enabled = false charliecloud.enabled = false + apptainer.enabled = false } charliecloud { charliecloud.enabled = true + conda.enabled = false docker.enabled = false singularity.enabled = false podman.enabled = false shifter.enabled = false + apptainer.enabled = false + } + apptainer { + apptainer.enabled = true + conda.enabled = false + docker.enabled = false + singularity.enabled = false + podman.enabled = false + shifter.enabled = false + charliecloud.enabled = false } gitpod { executor.name = 'local' @@ -188,12 +215,12 @@ dag { manifest { name = 'nf-core/funcscan' - author = """Jasmin Frangenberg, Anan Ibrahim, James A. Fellows Yates""" + author = """Jasmin Frangenberg, Anan Ibrahim, Louisa Perelo, Moritz E. Beber, James A. Fellows Yates""" homePage = 'https://github.com/nf-core/funcscan' description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.0dev' + version = '1.1.0' doi = '' } diff --git a/tower.yml b/tower.yml new file mode 100644 index 00000000..787aedfe --- /dev/null +++ b/tower.yml @@ -0,0 +1,5 @@ +reports: + multiqc_report.html: + display: "MultiQC HTML report" + samplesheet.csv: + display: "Auto-created samplesheet with collated metadata and FASTQ paths" From 9b0989eec4e32a2892a254c548e2ff1a54eaec37 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Fri, 28 Apr 2023 20:45:26 +0000 Subject: [PATCH 12/36] Fix error in resolving merge conflict --- lib/WorkflowFuncscan.groovy | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/lib/WorkflowFuncscan.groovy b/lib/WorkflowFuncscan.groovy index 4872f330..c70f4940 100755 --- a/lib/WorkflowFuncscan.groovy +++ b/lib/WorkflowFuncscan.groovy @@ -13,9 +13,9 @@ class WorkflowFuncscan { public static void initialise(params, log) { genomeExistsError(params, log) - if (!params.fasta) { - Nextflow.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file." - } + //if (!params.fasta) { + // Nextflow.error "Genome fasta file not specified with e.g. '--fasta genome.fa' or via a detectable config file." + //} } // From 03f86fad9e84eaf6b2a0d256726e3d38e93625c6 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Tue, 2 May 2023 08:49:23 +0000 Subject: [PATCH 13/36] Switch quay default off (temporarily), fix typo Because not all modules use quay as container repo (like gunzip, tar), those have to be updated before the new feature works. --- .github/workflows/awsfulltest.yml | 3 --- docs/usage.md | 2 +- nextflow.config | 4 ++-- 3 files changed, 3 insertions(+), 6 deletions(-) diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index 057dc38c..06728e6d 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -15,9 +15,6 @@ jobs: steps: - name: Launch workflow via tower uses: seqeralabs/action-tower-launch@v1 - # TODO nf-core: You can customise AWS full pipeline tests as required - # Add full size test data (but still relatively small datasets for few samples) - # on the `test_full.config` test runs with only one set of parameters with: workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }} access_token: ${{ secrets.TOWER_ACCESS_TOKEN }} diff --git a/docs/usage.md b/docs/usage.md index 545cecd9..39822a51 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -283,7 +283,7 @@ First, go to the [nf-core/funcscan releases page](https://github.com/nf-core/fun This version number will be logged in reports when you run the pipeline, so that you'll know what you used when you look back in the future. For example, at the bottom of the MultiQC reports. -To further assist in reproducbility, you can use share and re-use [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. +To further assist in reproducibility, you can use share and re-use [parameter files](#running-the-pipeline) to repeat pipeline runs with the same settings without having to write out a command with every single parameter. > 💡 If you wish to share such profile (such as upload as supplementary material for academic publications), make sure to NOT include cluster specific paths to files, nor institutional specific profiles. diff --git a/nextflow.config b/nextflow.config index 19b76889..f4d21d5c 100644 --- a/nextflow.config +++ b/nextflow.config @@ -259,7 +259,7 @@ profiles { docker { conda.enabled = false docker.enabled = true - docker.registry = 'quay.io' + // docker.registry = 'quay.io' docker.userEmulation = true conda.enabled = false singularity.enabled = false @@ -283,7 +283,7 @@ profiles { } podman { podman.enabled = true - podman.registry = 'quay.io' + // podman.registry = 'quay.io' conda.enabled = false docker.enabled = false singularity.enabled = false From 46fd73199d3a7e84c78922ec225baa009cbe74de Mon Sep 17 00:00:00 2001 From: jasmezz Date: Tue, 2 May 2023 11:19:40 +0200 Subject: [PATCH 14/36] Fix linting (update modules) --- modules.json | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/modules.json b/modules.json index 789a6526..ca49a4b1 100644 --- a/modules.json +++ b/modules.json @@ -17,7 +17,7 @@ }, "ampir": { "branch": "master", - "git_sha": "76cc4938c1f6ea5c7d83fed1eeffc146787f9543", + "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", "installed_by": ["modules"] }, "amplify/predict": { @@ -63,7 +63,7 @@ }, "custom/dumpsoftwareversions": { "branch": "master", - "git_sha": "b6d4d476aee074311c89d82a69c1921bd70c8180", + "git_sha": "76cc4938c1f6ea5c7d83fed1eeffc146787f9543", "installed_by": ["modules"] }, "deeparg/downloaddata": { @@ -113,7 +113,7 @@ }, "hamronization/amrfinderplus": { "branch": "master", - "git_sha": "f2d63bd5b68925f98f572eed70993d205cc694b7", + "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", "installed_by": ["modules"] }, "hamronization/deeparg": { @@ -148,7 +148,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "ee80d14721e76e2e079103b8dcd5d57129e584ba", + "git_sha": "f2d63bd5b68925f98f572eed70993d205cc694b7", "installed_by": ["modules"] }, "prodigal": { From 4abee09ab1219010658982867a36667508522ba1 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Tue, 2 May 2023 12:35:42 +0200 Subject: [PATCH 15/36] Update modules (for new quay feature to work) --- modules.json | 4 ++-- modules/nf-core/gunzip/main.nf | 2 +- modules/nf-core/gunzip/meta.yml | 1 + modules/nf-core/untar/main.nf | 2 +- modules/nf-core/untar/meta.yml | 1 + nextflow.config | 4 ++-- 6 files changed, 8 insertions(+), 6 deletions(-) diff --git a/modules.json b/modules.json index ca49a4b1..6eee2aa7 100644 --- a/modules.json +++ b/modules.json @@ -103,7 +103,7 @@ }, "gunzip": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "b9829e1064382745d8dff7f1d74d2138d2864f71", "installed_by": ["modules"] }, "hamronization/abricate": { @@ -178,7 +178,7 @@ }, "untar": { "branch": "master", - "git_sha": "cc1f997fab6d8fde5dc0e6e2a310814df5b53ce7", + "git_sha": "b9829e1064382745d8dff7f1d74d2138d2864f71", "installed_by": ["modules"] } } diff --git a/modules/nf-core/gunzip/main.nf b/modules/nf-core/gunzip/main.nf index d906034c..194dfc32 100644 --- a/modules/nf-core/gunzip/main.nf +++ b/modules/nf-core/gunzip/main.nf @@ -5,7 +5,7 @@ process GUNZIP { conda "conda-forge::sed=4.7" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : - 'ubuntu:20.04' }" + 'docker.io/ubuntu:20.04' }" input: tuple val(meta), path(archive) diff --git a/modules/nf-core/gunzip/meta.yml b/modules/nf-core/gunzip/meta.yml index 2e0e4054..4cdcdf4c 100644 --- a/modules/nf-core/gunzip/meta.yml +++ b/modules/nf-core/gunzip/meta.yml @@ -3,6 +3,7 @@ description: Compresses and decompresses files. keywords: - gunzip - compression + - decompression tools: - gunzip: description: | diff --git a/modules/nf-core/untar/main.nf b/modules/nf-core/untar/main.nf index 3384847a..67f497ee 100644 --- a/modules/nf-core/untar/main.nf +++ b/modules/nf-core/untar/main.nf @@ -5,7 +5,7 @@ process UNTAR { conda "conda-forge::sed=4.7 bioconda::grep=3.4 conda-forge::tar=1.34" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : - 'ubuntu:20.04' }" + 'docker.io/ubuntu:20.04' }" input: tuple val(meta), path(archive) diff --git a/modules/nf-core/untar/meta.yml b/modules/nf-core/untar/meta.yml index ea7a3f38..db241a6e 100644 --- a/modules/nf-core/untar/meta.yml +++ b/modules/nf-core/untar/meta.yml @@ -3,6 +3,7 @@ description: Extract files. keywords: - untar - uncompress + - extract tools: - untar: description: | diff --git a/nextflow.config b/nextflow.config index f4d21d5c..19b76889 100644 --- a/nextflow.config +++ b/nextflow.config @@ -259,7 +259,7 @@ profiles { docker { conda.enabled = false docker.enabled = true - // docker.registry = 'quay.io' + docker.registry = 'quay.io' docker.userEmulation = true conda.enabled = false singularity.enabled = false @@ -283,7 +283,7 @@ profiles { } podman { podman.enabled = true - // podman.registry = 'quay.io' + podman.registry = 'quay.io' conda.enabled = false docker.enabled = false singularity.enabled = false From 735a56695cc356f2a4d126e9b9b8b83147ac70a3 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Tue, 2 May 2023 13:11:20 +0000 Subject: [PATCH 16/36] Update CHANGELOG.md [skip ci] --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4f9570c8..bd180569 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,6 +6,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## v1.1.1dev - [unreleased] ### `Added` +- [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) ### `Fixed` From 9357d92155707973a432bb46b6d1a5219427f2be Mon Sep 17 00:00:00 2001 From: jasmezz Date: Mon, 8 May 2023 13:44:17 +0200 Subject: [PATCH 17/36] Fix prokka path --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index a63789a2..76042d55 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -62,7 +62,7 @@ process { withName: PROKKA { publishDir = [ - path: { "${params.outdir}/annotation/prokka/}" }, + path: { "${params.outdir}/annotation/prokka/" }, mode: params.publish_dir_mode, enabled: params.save_annotations, saveAs: { filename -> filename.equals('versions.yml') ? null : filename } From 49d89f733840a7a295e27887ec4819b35f743457 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Mon, 8 May 2023 13:50:58 +0200 Subject: [PATCH 18/36] Update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index bd180569..c608d594 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) ### `Fixed` +- [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) ### `Dependencies` From 71798237118ea418e6199b78a6ccb9f77b227c61 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Mon, 8 May 2023 14:03:26 +0200 Subject: [PATCH 19/36] Fix linting --- CHANGELOG.md | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index c608d594..291aa939 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -6,9 +6,11 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## v1.1.1dev - [unreleased] ### `Added` + - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) ### `Fixed` + - [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) ### `Dependencies` @@ -79,4 +81,4 @@ Initial release of nf-core/funcscan, created with the [nf-core](https://nf-co.re ### `Dependencies` -### `Deprecated` +### `Deprecated` \ No newline at end of file From cd9c3ed50adc8145cf2fadf03eb8efd611b3233f Mon Sep 17 00:00:00 2001 From: jasmezz Date: Mon, 8 May 2023 14:06:02 +0200 Subject: [PATCH 20/36] Fix linting --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 291aa939..3f5ec412 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -81,4 +81,4 @@ Initial release of nf-core/funcscan, created with the [nf-core](https://nf-co.re ### `Dependencies` -### `Deprecated` \ No newline at end of file +### `Deprecated` From 5d684b5c3aaf9b2edb7855d3f70d9208929edf5a Mon Sep 17 00:00:00 2001 From: louperelo Date: Wed, 10 May 2023 14:42:37 +0200 Subject: [PATCH 21/36] update ampir module --- modules.json | 2 +- modules/nf-core/ampir/main.nf | 5 ++--- modules/nf-core/ampir/meta.yml | 8 ++++---- 3 files changed, 7 insertions(+), 8 deletions(-) diff --git a/modules.json b/modules.json index 6eee2aa7..6e4c960c 100644 --- a/modules.json +++ b/modules.json @@ -17,7 +17,7 @@ }, "ampir": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "6ac776f62fad7360685a87680c5f57f74c3682dc", "installed_by": ["modules"] }, "amplify/predict": { diff --git a/modules/nf-core/ampir/main.nf b/modules/nf-core/ampir/main.nf index 19b63f66..50ef1e2e 100644 --- a/modules/nf-core/ampir/main.nf +++ b/modules/nf-core/ampir/main.nf @@ -5,7 +5,7 @@ process AMPIR { conda "conda-forge::r-ampir=1.1.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/r-ampir:1.1.0': - 'quay.io/biocontainers/r-ampir:1.1.0' }" + 'biocontainers/r-ampir:1.1.0' }" input: tuple val(meta), path(faa) @@ -24,14 +24,13 @@ process AMPIR { script: def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" - min_length = ("${min_length}" == "[]") ? "": " min_len = as.integer(${min_length})," // Fall back to AMPir default value if none specified if ("$faa" == "${prefix}.faa") error "Input and output names are the same, set prefix in module configuration to disambiguate!" """ #!/usr/bin/env Rscript library(ampir) input_seqs <- read_faa('${faa}') - prediction <- predict_amps(input_seqs,${min_length} model = '${model}') + prediction <- predict_amps(input_seqs,${min_length},model = '${model}') prediction <- prediction[which(prediction\$prob_AMP >= as.numeric(${min_probability})), ] output_seqs <- input_seqs[row.names(prediction), ] write.table(prediction, file = "${prefix}.tsv", row.names = FALSE, sep = "\t", quote = FALSE, dec = '.') diff --git a/modules/nf-core/ampir/meta.yml b/modules/nf-core/ampir/meta.yml index 7569ca69..9e854448 100644 --- a/modules/nf-core/ampir/meta.yml +++ b/modules/nf-core/ampir/meta.yml @@ -24,17 +24,17 @@ input: description: FASTA file containing amino acid sequences pattern: "*.{faa,fasta}" - model: - type: value + type: string description: Built-in model for AMP prediction pattern: "{precursor,mature}" - min_length: - type: value + type: integer description: Minimum protein length for which predictions will be generated pattern: "[0-9]+" - min_probability: - type: value + type: number description: Cut-off for AMP prediction - pattern: "[0-9][0-9]" + pattern: "[0-9].[0-9]+" output: - meta: From d76d9248790468ed93d4f7428618408141372114 Mon Sep 17 00:00:00 2001 From: louperelo Date: Wed, 10 May 2023 14:49:16 +0200 Subject: [PATCH 22/36] update changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 3f5ec412..9c384865 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` - [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) +- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module (by @louperelo) ### `Dependencies` From 36779d84530da4eb6d44568d55486d51cc37c821 Mon Sep 17 00:00:00 2001 From: Louisa Perelo <44900284+louperelo@users.noreply.github.com> Date: Wed, 10 May 2023 15:14:23 +0200 Subject: [PATCH 23/36] Apply suggestions from code review Co-authored-by: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 9c384865..924ebf89 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,7 +12,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` - [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) -- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module (by @louperelo) +- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module (reported by @mathavanpu, fix by @louperelo) ### `Dependencies` From a40a086adc48ebd42ee69c3e8bb8400d76d7be00 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 10:48:33 +0200 Subject: [PATCH 24/36] Pull all module updates + update local module --- modules.json | 68 +++++++++---------- modules/local/dramp_download.nf | 2 +- modules/nf-core/abricate/run/main.nf | 2 +- modules/nf-core/ampcombi/main.nf | 2 +- modules/nf-core/amplify/predict/main.nf | 2 +- modules/nf-core/amrfinderplus/run/main.nf | 2 +- modules/nf-core/amrfinderplus/update/main.nf | 2 +- .../nf-core/antismash/antismashlite/main.nf | 2 +- .../antismashlitedownloaddatabases/main.nf | 2 +- modules/nf-core/bakta/bakta/main.nf | 2 +- modules/nf-core/bakta/baktadbdownload/main.nf | 2 +- modules/nf-core/bioawk/main.nf | 2 +- .../custom/dumpsoftwareversions/main.nf | 2 +- modules/nf-core/deeparg/downloaddata/main.nf | 2 +- modules/nf-core/deeparg/predict/main.nf | 2 +- modules/nf-core/deepbgc/download/main.nf | 2 +- modules/nf-core/deepbgc/pipeline/main.nf | 2 +- modules/nf-core/fargene/main.nf | 2 +- modules/nf-core/fastqc/main.nf | 2 +- modules/nf-core/gecco/run/main.nf | 2 +- modules/nf-core/gunzip/main.nf | 2 +- .../nf-core/hamronization/abricate/main.nf | 2 +- .../hamronization/amrfinderplus/main.nf | 2 +- modules/nf-core/hamronization/deeparg/main.nf | 2 +- modules/nf-core/hamronization/fargene/main.nf | 2 +- modules/nf-core/hamronization/rgi/main.nf | 2 +- .../nf-core/hamronization/summarize/main.nf | 2 +- modules/nf-core/hmmer/hmmsearch/main.nf | 2 +- modules/nf-core/macrel/contigs/main.nf | 2 +- modules/nf-core/multiqc/main.nf | 2 +- modules/nf-core/prodigal/main.nf | 2 +- modules/nf-core/prodigal/meta.yml | 4 +- modules/nf-core/prokka/main.nf | 2 +- modules/nf-core/pyrodigal/main.nf | 2 +- modules/nf-core/rgi/main/main.nf | 2 +- modules/nf-core/tabix/bgzip/main.nf | 2 +- modules/nf-core/untar/main.nf | 2 +- 37 files changed, 72 insertions(+), 70 deletions(-) diff --git a/modules.json b/modules.json index 6e4c960c..49972e45 100644 --- a/modules.json +++ b/modules.json @@ -7,12 +7,12 @@ "nf-core": { "abricate/run": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "ampcombi": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "ampir": { @@ -22,163 +22,163 @@ }, "amplify/predict": { "branch": "master", - "git_sha": "5293fc55d4d645cf9daffad835bee270d328ce91", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "amrfinderplus/run": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "amrfinderplus/update": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "antismash/antismashlite": { "branch": "master", - "git_sha": "3a8d2761600b789cbde3a7780a211a8328604af0", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "antismash/antismashlitedownloaddatabases": { "branch": "master", - "git_sha": "ac07fba2543c5c9b6da9306c2d3ee58bdafb5262", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "bakta/bakta": { "branch": "master", - "git_sha": "280c5c86b3da7dfcc92ebd5420584dd6ff26c4a8", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "bakta/baktadbdownload": { "branch": "master", - "git_sha": "280c5c86b3da7dfcc92ebd5420584dd6ff26c4a8", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "bioawk": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"], "patch": "modules/nf-core/bioawk/bioawk.diff" }, "custom/dumpsoftwareversions": { "branch": "master", - "git_sha": "76cc4938c1f6ea5c7d83fed1eeffc146787f9543", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "deeparg/downloaddata": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "deeparg/predict": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "deepbgc/download": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "deepbgc/pipeline": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "fargene": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "fastqc": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "gecco/run": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "gunzip": { "branch": "master", - "git_sha": "b9829e1064382745d8dff7f1d74d2138d2864f71", + "git_sha": "5c460c5a4736974abde2843294f35307ee2b0e5e", "installed_by": ["modules"] }, "hamronization/abricate": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hamronization/amrfinderplus": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hamronization/deeparg": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hamronization/fargene": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hamronization/rgi": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hamronization/summarize": { "branch": "master", - "git_sha": "0f8a77ff00e65eaeebc509b8156eaa983192474b", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "hmmer/hmmsearch": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "macrel/contigs": { "branch": "master", - "git_sha": "a5a5bb12e7cc25658fdc97d810f2d6688cdae169", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "f2d63bd5b68925f98f572eed70993d205cc694b7", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "prodigal": { "branch": "master", - "git_sha": "8c4f2d2ceeb5e9cc4a49a91c0e9a675b6724c043", + "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", "installed_by": ["modules"] }, "prokka": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "pyrodigal": { "branch": "master", - "git_sha": "93cca9af587f39eaaa357b9e589e3e657d8a0f75", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "rgi/main": { "branch": "master", - "git_sha": "c8e35eb2055c099720a75538d1b8adb3fb5a464c", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "tabix/bgzip": { "branch": "master", - "git_sha": "90294980a903ecebd99ac31d8b6c66af48fa8259", + "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, "untar": { "branch": "master", - "git_sha": "b9829e1064382745d8dff7f1d74d2138d2864f71", + "git_sha": "5c460c5a4736974abde2843294f35307ee2b0e5e", "installed_by": ["modules"] } } diff --git a/modules/local/dramp_download.nf b/modules/local/dramp_download.nf index 300cad10..2fed5682 100644 --- a/modules/local/dramp_download.nf +++ b/modules/local/dramp_download.nf @@ -4,7 +4,7 @@ process DRAMP_DOWNLOAD { conda "bioconda::ampcombi=0.1.7" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ampcombi:0.1.7--pyhdfd78af_0': - 'quay.io/biocontainers/ampcombi:0.1.7--pyhdfd78af_0' }" + 'biocontainers/ampcombi:0.1.7--pyhdfd78af_0' }" output: path "amp_ref_database/" , emit: db diff --git a/modules/nf-core/abricate/run/main.nf b/modules/nf-core/abricate/run/main.nf index 05dac446..87ab0df9 100644 --- a/modules/nf-core/abricate/run/main.nf +++ b/modules/nf-core/abricate/run/main.nf @@ -5,7 +5,7 @@ process ABRICATE_RUN { conda "bioconda::abricate=1.0.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/abricate%3A1.0.1--ha8f3691_1': - 'quay.io/biocontainers/abricate:1.0.1--ha8f3691_1' }" + 'biocontainers/abricate:1.0.1--ha8f3691_1' }" input: tuple val(meta), path(assembly) diff --git a/modules/nf-core/ampcombi/main.nf b/modules/nf-core/ampcombi/main.nf index bb9b79f1..9cad25cb 100644 --- a/modules/nf-core/ampcombi/main.nf +++ b/modules/nf-core/ampcombi/main.nf @@ -5,7 +5,7 @@ process AMPCOMBI { conda "bioconda::ampcombi=0.1.7" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ampcombi:0.1.7--pyhdfd78af_0': - 'quay.io/biocontainers/ampcombi:0.1.7--pyhdfd78af_0' }" + 'biocontainers/ampcombi:0.1.7--pyhdfd78af_0' }" input: tuple val(meta), path(amp_input) diff --git a/modules/nf-core/amplify/predict/main.nf b/modules/nf-core/amplify/predict/main.nf index d47a402d..be5863f1 100644 --- a/modules/nf-core/amplify/predict/main.nf +++ b/modules/nf-core/amplify/predict/main.nf @@ -6,7 +6,7 @@ process AMPLIFY_PREDICT { conda "bioconda::amplify=1.1.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/amplify:1.1.0--hdfd78af_0': - 'quay.io/biocontainers/amplify:1.1.0--hdfd78af_0' }" + 'biocontainers/amplify:1.1.0--hdfd78af_0' }" input: tuple val(meta), path(faa) diff --git a/modules/nf-core/amrfinderplus/run/main.nf b/modules/nf-core/amrfinderplus/run/main.nf index 6234cbbb..8077bb48 100644 --- a/modules/nf-core/amrfinderplus/run/main.nf +++ b/modules/nf-core/amrfinderplus/run/main.nf @@ -5,7 +5,7 @@ process AMRFINDERPLUS_RUN { conda "bioconda::ncbi-amrfinderplus=3.10.42" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ncbi-amrfinderplus:3.10.42--h6e70893_0': - 'quay.io/biocontainers/ncbi-amrfinderplus:3.10.42--h6e70893_0' }" + 'biocontainers/ncbi-amrfinderplus:3.10.42--h6e70893_0' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/amrfinderplus/update/main.nf b/modules/nf-core/amrfinderplus/update/main.nf index 0fdd61e5..a043a06a 100644 --- a/modules/nf-core/amrfinderplus/update/main.nf +++ b/modules/nf-core/amrfinderplus/update/main.nf @@ -5,7 +5,7 @@ process AMRFINDERPLUS_UPDATE { conda "bioconda::ncbi-amrfinderplus=3.10.42" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ncbi-amrfinderplus:3.10.42--h6e70893_0': - 'quay.io/biocontainers/ncbi-amrfinderplus:3.10.42--h6e70893_0' }" + 'biocontainers/ncbi-amrfinderplus:3.10.42--h6e70893_0' }" output: path "amrfinderdb.tar.gz", emit: db diff --git a/modules/nf-core/antismash/antismashlite/main.nf b/modules/nf-core/antismash/antismashlite/main.nf index 6a714185..1b551e6e 100644 --- a/modules/nf-core/antismash/antismashlite/main.nf +++ b/modules/nf-core/antismash/antismashlite/main.nf @@ -5,7 +5,7 @@ process ANTISMASH_ANTISMASHLITE { conda "bioconda::antismash-lite=6.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/antismash-lite:6.1.1--pyhdfd78af_0' : - 'quay.io/biocontainers/antismash-lite:6.1.1--pyhdfd78af_0' }" + 'biocontainers/antismash-lite:6.1.1--pyhdfd78af_0' }" containerOptions { workflow.containerEngine == 'singularity' ? diff --git a/modules/nf-core/antismash/antismashlitedownloaddatabases/main.nf b/modules/nf-core/antismash/antismashlitedownloaddatabases/main.nf index 029e9cf6..817db0c2 100644 --- a/modules/nf-core/antismash/antismashlitedownloaddatabases/main.nf +++ b/modules/nf-core/antismash/antismashlitedownloaddatabases/main.nf @@ -4,7 +4,7 @@ process ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES { conda "bioconda::antismash-lite=6.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/antismash-lite:6.1.1--pyhdfd78af_0' : - 'quay.io/biocontainers/antismash-lite:6.1.1--pyhdfd78af_0' }" + 'biocontainers/antismash-lite:6.1.1--pyhdfd78af_0' }" /* These files are normally downloaded/created by download-antismash-databases itself, and must be retrieved for input by manually running the command with conda or a standalone installation of antiSMASH. Therefore we do not recommend using this module for production pipelines, but rather require users to specify their own local copy of the antiSMASH database in pipelines. This is solely for use for CI tests of the nf-core/module version of antiSMASH. diff --git a/modules/nf-core/bakta/bakta/main.nf b/modules/nf-core/bakta/bakta/main.nf index 5fc10cb1..6399f5d0 100644 --- a/modules/nf-core/bakta/bakta/main.nf +++ b/modules/nf-core/bakta/bakta/main.nf @@ -5,7 +5,7 @@ process BAKTA_BAKTA { conda "bioconda::bakta=1.7.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/bakta:1.7.0--pyhdfd78af_1' : - 'quay.io/biocontainers/bakta:1.7.0--pyhdfd78af_1' }" + 'biocontainers/bakta:1.7.0--pyhdfd78af_1' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/bakta/baktadbdownload/main.nf b/modules/nf-core/bakta/baktadbdownload/main.nf index f5e6d111..e62a2bed 100644 --- a/modules/nf-core/bakta/baktadbdownload/main.nf +++ b/modules/nf-core/bakta/baktadbdownload/main.nf @@ -4,7 +4,7 @@ process BAKTA_BAKTADBDOWNLOAD { conda "bioconda::bakta=1.7.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/bakta:1.7.0--pyhdfd78af_1' : - 'quay.io/biocontainers/bakta:1.7.0--pyhdfd78af_1' }" + 'biocontainers/bakta:1.7.0--pyhdfd78af_1' }" output: path "db*" , emit: db diff --git a/modules/nf-core/bioawk/main.nf b/modules/nf-core/bioawk/main.nf index 32ded6e0..bd5c82dd 100644 --- a/modules/nf-core/bioawk/main.nf +++ b/modules/nf-core/bioawk/main.nf @@ -5,7 +5,7 @@ process BIOAWK { conda "bioconda::bioawk=1.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/bioawk:1.0--h5bf99c6_6': - 'quay.io/biocontainers/bioawk:1.0--h5bf99c6_6' }" + 'biocontainers/bioawk:1.0--h5bf99c6_6' }" input: tuple val(meta), path(input) diff --git a/modules/nf-core/custom/dumpsoftwareversions/main.nf b/modules/nf-core/custom/dumpsoftwareversions/main.nf index 800a6099..ebc87273 100644 --- a/modules/nf-core/custom/dumpsoftwareversions/main.nf +++ b/modules/nf-core/custom/dumpsoftwareversions/main.nf @@ -5,7 +5,7 @@ process CUSTOM_DUMPSOFTWAREVERSIONS { conda "bioconda::multiqc=1.14" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : - 'quay.io/biocontainers/multiqc:1.14--pyhdfd78af_0' }" + 'biocontainers/multiqc:1.14--pyhdfd78af_0' }" input: path versions diff --git a/modules/nf-core/deeparg/downloaddata/main.nf b/modules/nf-core/deeparg/downloaddata/main.nf index 95bd6480..724a002b 100644 --- a/modules/nf-core/deeparg/downloaddata/main.nf +++ b/modules/nf-core/deeparg/downloaddata/main.nf @@ -4,7 +4,7 @@ process DEEPARG_DOWNLOADDATA { conda "bioconda::deeparg=1.0.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/deeparg:1.0.2--pyhdfd78af_1' : - 'quay.io/biocontainers/deeparg:1.0.2--pyhdfd78af_1' }" + 'biocontainers/deeparg:1.0.2--pyhdfd78af_1' }" /* We have to force singularity to run with -B to allow reading of a problematic file with borked read-write permissions in an upstream dependency (theanos). Original report: https://github.com/nf-core/funcscan/issues/23 diff --git a/modules/nf-core/deeparg/predict/main.nf b/modules/nf-core/deeparg/predict/main.nf index d2183170..11318476 100644 --- a/modules/nf-core/deeparg/predict/main.nf +++ b/modules/nf-core/deeparg/predict/main.nf @@ -5,7 +5,7 @@ process DEEPARG_PREDICT { conda "bioconda::deeparg=1.0.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/deeparg:1.0.2--pyhdfd78af_1' : - 'quay.io/biocontainers/deeparg:1.0.2--pyhdfd78af_1' }" + 'biocontainers/deeparg:1.0.2--pyhdfd78af_1' }" /* We have to force singularity to run with -B to allow reading of a problematic file with borked read-write permissions in an upstream dependency (theanos). Original report: https://github.com/nf-core/funcscan/issues/23 diff --git a/modules/nf-core/deepbgc/download/main.nf b/modules/nf-core/deepbgc/download/main.nf index f3282fc4..e4f0d503 100644 --- a/modules/nf-core/deepbgc/download/main.nf +++ b/modules/nf-core/deepbgc/download/main.nf @@ -4,7 +4,7 @@ process DEEPBGC_DOWNLOAD { conda "bioconda::deepbgc=0.1.30" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/deepbgc:0.1.30--pyhb7b1952_1': - 'quay.io/biocontainers/deepbgc:0.1.30--pyhb7b1952_1' }" + 'biocontainers/deepbgc:0.1.30--pyhb7b1952_1' }" output: path "deepbgc_db/" , emit: db diff --git a/modules/nf-core/deepbgc/pipeline/main.nf b/modules/nf-core/deepbgc/pipeline/main.nf index a0683ef7..e3aefba8 100644 --- a/modules/nf-core/deepbgc/pipeline/main.nf +++ b/modules/nf-core/deepbgc/pipeline/main.nf @@ -5,7 +5,7 @@ process DEEPBGC_PIPELINE { conda "bioconda::deepbgc=0.1.30" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/deepbgc:0.1.30--pyhb7b1952_1': - 'quay.io/biocontainers/deepbgc:0.1.30--pyhb7b1952_1' }" + 'biocontainers/deepbgc:0.1.30--pyhb7b1952_1' }" input: tuple val(meta), path(genome) diff --git a/modules/nf-core/fargene/main.nf b/modules/nf-core/fargene/main.nf index 909170b1..b0f6c183 100644 --- a/modules/nf-core/fargene/main.nf +++ b/modules/nf-core/fargene/main.nf @@ -6,7 +6,7 @@ process FARGENE { conda "bioconda::fargene=0.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/fargene:0.1--py27h21c881e_4' : - 'quay.io/biocontainers/fargene:0.1--py27h21c881e_4' }" + 'biocontainers/fargene:0.1--py27h21c881e_4' }" input: // input may be fasta (for genomes or longer contigs) or paired-end fastq (for metagenome), the latter in addition with --meta flag diff --git a/modules/nf-core/fastqc/main.nf b/modules/nf-core/fastqc/main.nf index 9ae58381..07d5e433 100644 --- a/modules/nf-core/fastqc/main.nf +++ b/modules/nf-core/fastqc/main.nf @@ -5,7 +5,7 @@ process FASTQC { conda "bioconda::fastqc=0.11.9" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/fastqc:0.11.9--0' : - 'quay.io/biocontainers/fastqc:0.11.9--0' }" + 'biocontainers/fastqc:0.11.9--0' }" input: tuple val(meta), path(reads) diff --git a/modules/nf-core/gecco/run/main.nf b/modules/nf-core/gecco/run/main.nf index 7405a461..b0a76a71 100644 --- a/modules/nf-core/gecco/run/main.nf +++ b/modules/nf-core/gecco/run/main.nf @@ -5,7 +5,7 @@ process GECCO_RUN { conda "bioconda::gecco=0.9.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/gecco:0.9.2--pyhdfd78af_0': - 'quay.io/biocontainers/gecco:0.9.2--pyhdfd78af_0' }" + 'biocontainers/gecco:0.9.2--pyhdfd78af_0' }" input: tuple val(meta), path(input), path(hmm) diff --git a/modules/nf-core/gunzip/main.nf b/modules/nf-core/gunzip/main.nf index 194dfc32..e7189d2f 100644 --- a/modules/nf-core/gunzip/main.nf +++ b/modules/nf-core/gunzip/main.nf @@ -5,7 +5,7 @@ process GUNZIP { conda "conda-forge::sed=4.7" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : - 'docker.io/ubuntu:20.04' }" + 'nf-core/ubuntu:20.04' }" input: tuple val(meta), path(archive) diff --git a/modules/nf-core/hamronization/abricate/main.nf b/modules/nf-core/hamronization/abricate/main.nf index 7a526ab9..b73e04be 100644 --- a/modules/nf-core/hamronization/abricate/main.nf +++ b/modules/nf-core/hamronization/abricate/main.nf @@ -5,7 +5,7 @@ process HAMRONIZATION_ABRICATE { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: tuple val(meta), path(report) diff --git a/modules/nf-core/hamronization/amrfinderplus/main.nf b/modules/nf-core/hamronization/amrfinderplus/main.nf index 92a3f5fc..6f4cda34 100644 --- a/modules/nf-core/hamronization/amrfinderplus/main.nf +++ b/modules/nf-core/hamronization/amrfinderplus/main.nf @@ -5,7 +5,7 @@ process HAMRONIZATION_AMRFINDERPLUS { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: tuple val(meta), path(report) diff --git a/modules/nf-core/hamronization/deeparg/main.nf b/modules/nf-core/hamronization/deeparg/main.nf index 8a9a1d7e..193b1ae1 100644 --- a/modules/nf-core/hamronization/deeparg/main.nf +++ b/modules/nf-core/hamronization/deeparg/main.nf @@ -5,7 +5,7 @@ process HAMRONIZATION_DEEPARG { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: tuple val(meta), path(report) diff --git a/modules/nf-core/hamronization/fargene/main.nf b/modules/nf-core/hamronization/fargene/main.nf index 0e003429..79ebcc99 100644 --- a/modules/nf-core/hamronization/fargene/main.nf +++ b/modules/nf-core/hamronization/fargene/main.nf @@ -5,7 +5,7 @@ process HAMRONIZATION_FARGENE { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: tuple val(meta), path(report) diff --git a/modules/nf-core/hamronization/rgi/main.nf b/modules/nf-core/hamronization/rgi/main.nf index 5da71230..bb550ee6 100644 --- a/modules/nf-core/hamronization/rgi/main.nf +++ b/modules/nf-core/hamronization/rgi/main.nf @@ -5,7 +5,7 @@ process HAMRONIZATION_RGI { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: tuple val(meta), path(report) diff --git a/modules/nf-core/hamronization/summarize/main.nf b/modules/nf-core/hamronization/summarize/main.nf index 7660e160..fc58b720 100644 --- a/modules/nf-core/hamronization/summarize/main.nf +++ b/modules/nf-core/hamronization/summarize/main.nf @@ -4,7 +4,7 @@ process HAMRONIZATION_SUMMARIZE { conda "bioconda::hamronization=1.1.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hamronization:1.1.1--pyhdfd78af_0': - 'quay.io/biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" + 'biocontainers/hamronization:1.1.1--pyhdfd78af_0' }" input: path(reports) diff --git a/modules/nf-core/hmmer/hmmsearch/main.nf b/modules/nf-core/hmmer/hmmsearch/main.nf index d7759c1d..d40292d6 100644 --- a/modules/nf-core/hmmer/hmmsearch/main.nf +++ b/modules/nf-core/hmmer/hmmsearch/main.nf @@ -5,7 +5,7 @@ process HMMER_HMMSEARCH { conda "bioconda::hmmer=3.3.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/hmmer:3.3.2--h1b792b2_1' : - 'quay.io/biocontainers/hmmer:3.3.2--h1b792b2_1' }" + 'biocontainers/hmmer:3.3.2--h1b792b2_1' }" input: tuple val(meta), path(hmmfile), path(seqdb), val(write_align), val(write_target), val(write_domain) diff --git a/modules/nf-core/macrel/contigs/main.nf b/modules/nf-core/macrel/contigs/main.nf index 1eb1c0a0..df71bdea 100644 --- a/modules/nf-core/macrel/contigs/main.nf +++ b/modules/nf-core/macrel/contigs/main.nf @@ -5,7 +5,7 @@ process MACREL_CONTIGS { conda "bioconda::macrel=1.2.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/macrel:1.2.0--pyh5e36f6f_0': - 'quay.io/biocontainers/macrel:1.2.0--pyh5e36f6f_0' }" + 'biocontainers/macrel:1.2.0--pyh5e36f6f_0' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 4b604749..1fc387be 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -4,7 +4,7 @@ process MULTIQC { conda "bioconda::multiqc=1.14" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/multiqc:1.14--pyhdfd78af_0' : - 'quay.io/biocontainers/multiqc:1.14--pyhdfd78af_0' }" + 'biocontainers/multiqc:1.14--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/prodigal/main.nf b/modules/nf-core/prodigal/main.nf index 4206166d..8cf87a6d 100644 --- a/modules/nf-core/prodigal/main.nf +++ b/modules/nf-core/prodigal/main.nf @@ -5,7 +5,7 @@ process PRODIGAL { conda "bioconda::prodigal=2.6.3 conda-forge::pigz=2.6" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/mulled-v2-2e442ba7b07bfa102b9cf8fac6221263cd746ab8:57f05cfa73f769d6ed6d54144cb3aa2a6a6b17e0-0' : - 'quay.io/biocontainers/mulled-v2-2e442ba7b07bfa102b9cf8fac6221263cd746ab8:57f05cfa73f769d6ed6d54144cb3aa2a6a6b17e0-0' }" + 'biocontainers/mulled-v2-2e442ba7b07bfa102b9cf8fac6221263cd746ab8:57f05cfa73f769d6ed6d54144cb3aa2a6a6b17e0-0' }" input: tuple val(meta), path(genome) diff --git a/modules/nf-core/prodigal/meta.yml b/modules/nf-core/prodigal/meta.yml index 8cb3d12e..30747a90 100644 --- a/modules/nf-core/prodigal/meta.yml +++ b/modules/nf-core/prodigal/meta.yml @@ -1,7 +1,9 @@ name: prodigal description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a microbial (bacterial and archaeal) gene finding program keywords: - - sort + - prokaryotes + - gene finding + - microbial tools: - prodigal: description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a microbial (bacterial and archaeal) gene finding program diff --git a/modules/nf-core/prokka/main.nf b/modules/nf-core/prokka/main.nf index 048d373f..60fbe232 100644 --- a/modules/nf-core/prokka/main.nf +++ b/modules/nf-core/prokka/main.nf @@ -5,7 +5,7 @@ process PROKKA { conda "bioconda::prokka=1.14.6" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/prokka%3A1.14.6--pl5321hdfd78af_4' : - 'quay.io/biocontainers/prokka:1.14.6--pl5321hdfd78af_4' }" + 'biocontainers/prokka:1.14.6--pl5321hdfd78af_4' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/pyrodigal/main.nf b/modules/nf-core/pyrodigal/main.nf index 2497cb7d..0079d648 100644 --- a/modules/nf-core/pyrodigal/main.nf +++ b/modules/nf-core/pyrodigal/main.nf @@ -5,7 +5,7 @@ process PYRODIGAL { conda "bioconda::pyrodigal=2.1.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/pyrodigal:2.1.0--py310h1425a21_0': - 'quay.io/biocontainers/pyrodigal:2.1.0--py310h1425a21_0' }" + 'biocontainers/pyrodigal:2.1.0--py310h1425a21_0' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/rgi/main/main.nf b/modules/nf-core/rgi/main/main.nf index ce414691..26be7734 100644 --- a/modules/nf-core/rgi/main/main.nf +++ b/modules/nf-core/rgi/main/main.nf @@ -5,7 +5,7 @@ process RGI_MAIN { conda "bioconda::rgi=5.2.1" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/rgi:5.2.1--pyha8f3691_2': - 'quay.io/biocontainers/rgi:5.2.1--pyha8f3691_2' }" + 'biocontainers/rgi:5.2.1--pyha8f3691_2' }" input: tuple val(meta), path(fasta) diff --git a/modules/nf-core/tabix/bgzip/main.nf b/modules/nf-core/tabix/bgzip/main.nf index 6dd4e202..8c47d9e2 100644 --- a/modules/nf-core/tabix/bgzip/main.nf +++ b/modules/nf-core/tabix/bgzip/main.nf @@ -5,7 +5,7 @@ process TABIX_BGZIP { conda "bioconda::tabix=1.11" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/tabix:1.11--hdfd78af_0' : - 'quay.io/biocontainers/tabix:1.11--hdfd78af_0' }" + 'biocontainers/tabix:1.11--hdfd78af_0' }" input: tuple val(meta), path(input) diff --git a/modules/nf-core/untar/main.nf b/modules/nf-core/untar/main.nf index 67f497ee..8cd1856c 100644 --- a/modules/nf-core/untar/main.nf +++ b/modules/nf-core/untar/main.nf @@ -5,7 +5,7 @@ process UNTAR { conda "conda-forge::sed=4.7 bioconda::grep=3.4 conda-forge::tar=1.34" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/ubuntu:20.04' : - 'docker.io/ubuntu:20.04' }" + 'nf-core/ubuntu:20.04' }" input: tuple val(meta), path(archive) From 02edf736a2f799f9fce1853de8e707124e1d2b25 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 10:56:24 +0200 Subject: [PATCH 25/36] Update changelog --- CHANGELOG.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 924ebf89..3abe6873 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -8,11 +8,12 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) +- [#274](https://github.com/nf-core/funcscan/pull/274) Update all modules: changed docker links according to the change of quay.io as default repository. (by @jasmezz) ### `Fixed` - [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) -- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module (reported by @mathavanpu, fix by @louperelo) +- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module. (reported by @mathavanpu, fix by @louperelo) ### `Dependencies` From 1af35bd2f2bb4f68e70791829d2f98e96d05295d Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 14:16:18 +0200 Subject: [PATCH 26/36] Save DRAMP download in common database dir --- CHANGELOG.md | 1 + conf/modules.config | 9 +++++++++ 2 files changed, 10 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 924ebf89..96f271d1 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -8,6 +8,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) +- [#275](https://github.com/nf-core/funcscan/pull/275) Save DRAMP database in the common database directory if `--save_databases` is supplied. (by @jasmezz) ### `Fixed` diff --git a/conf/modules.config b/conf/modules.config index 76042d55..ff10a342 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -496,4 +496,13 @@ process { saveAs: { filename -> filename.equals('versions.yml') ? null : filename } ] } + + withName: DRAMP_DOWNLOAD { + publishDir = [ + path: { "${params.outdir}/databases/dramp" }, + mode: params.publish_dir_mode, + enabled: params.save_databases, + saveAs: { filename -> filename.equals('versions.yml') ? null : filename } + ] + } } From efa9b5a16f8707d1015474a73fc87f8629ef6a1d Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 14:48:20 +0200 Subject: [PATCH 27/36] Update pyrodigal + respective AMP subworkflow --- modules.json | 2 +- modules/nf-core/pyrodigal/main.nf | 18 +++++++---- modules/nf-core/pyrodigal/meta.yml | 10 +++--- workflows/funcscan.nf | 52 ++++++++++++++++-------------- 4 files changed, 45 insertions(+), 37 deletions(-) diff --git a/modules.json b/modules.json index 49972e45..48f89af0 100644 --- a/modules.json +++ b/modules.json @@ -163,7 +163,7 @@ }, "pyrodigal": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", + "git_sha": "1b91efd7ff7b2fb5fe0d78f0d2f6c728afc5e552", "installed_by": ["modules"] }, "rgi/main": { diff --git a/modules/nf-core/pyrodigal/main.nf b/modules/nf-core/pyrodigal/main.nf index 0079d648..c6429b9d 100644 --- a/modules/nf-core/pyrodigal/main.nf +++ b/modules/nf-core/pyrodigal/main.nf @@ -4,17 +4,17 @@ process PYRODIGAL { conda "bioconda::pyrodigal=2.1.0" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/pyrodigal:2.1.0--py310h1425a21_0': - 'biocontainers/pyrodigal:2.1.0--py310h1425a21_0' }" + 'https://depot.galaxyproject.org/singularity/mulled-v2-2fe9a8ce513c91df34b43a6610df94c3a2eb3bd0:697b3838b186fac6a9ceec198b09d4032162a079-0': + 'biocontainers/mulled-v2-2fe9a8ce513c91df34b43a6610df94c3a2eb3bd0:697b3838b186fac6a9ceec198b09d4032162a079-0' }" input: tuple val(meta), path(fasta) output: - tuple val(meta), path("*.gff") , emit: gff - tuple val(meta), path("*.fna") , emit: fna - tuple val(meta), path("*.faa") , emit: faa - tuple val(meta), path("*.score") , emit: score + tuple val(meta), path("*.gff.gz") , emit: gff + tuple val(meta), path("*.fna.gz") , emit: fna + tuple val(meta), path("*.faa.gz") , emit: faa + tuple val(meta), path("*.score.gz") , emit: score path "versions.yml" , emit: versions when: @@ -24,14 +24,18 @@ process PYRODIGAL { def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" """ + pigz -cdf ${fasta} > pigz_fasta.fna + pyrodigal \\ $args \\ - -i ${fasta} \\ + -i pigz_fasta.fna \\ -o ${prefix}.gff \\ -d ${prefix}.fna \\ -a ${prefix}.faa \\ -s ${prefix}.score + pigz -nm ${prefix}* + cat <<-END_VERSIONS > versions.yml "${task.process}": pyrodigal: \$(echo \$(pyrodigal --version 2>&1 | sed 's/pyrodigal v//')) diff --git a/modules/nf-core/pyrodigal/meta.yml b/modules/nf-core/pyrodigal/meta.yml index cbceb2c8..6553e3c6 100644 --- a/modules/nf-core/pyrodigal/meta.yml +++ b/modules/nf-core/pyrodigal/meta.yml @@ -23,7 +23,7 @@ input: - fasta: type: file description: FASTA file - pattern: "*.{fasta,fa,fna}" + pattern: "*.{fasta.gz,fa.gz,fna.gz}" output: - meta: @@ -38,19 +38,19 @@ output: - gff: type: file description: gene annotations in gff format - pattern: "*.{gff}" + pattern: "*.{gff.gz}" - faa: type: file description: protein translations file - pattern: "*.{faa}" + pattern: "*.{faa.gz}" - fna: type: file description: nucleotide sequences file - pattern: "*.{fna}" + pattern: "*.{fna.gz}" - score: type: file description: all potential genes (with scores) - pattern: "*.{score}" + pattern: "*.{score.gz}" authors: - "@louperelo" diff --git a/workflows/funcscan.nf b/workflows/funcscan.nf index fa6a2164..27168b24 100644 --- a/workflows/funcscan.nf +++ b/workflows/funcscan.nf @@ -86,20 +86,22 @@ include { BGC } from '../subworkflows/local/bgc' // // MODULE: Installed directly from nf-core/modules // -include { MULTIQC } from '../modules/nf-core/multiqc/main' -include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main' -include { GUNZIP as GUNZIP_FASTA_PREP } from '../modules/nf-core/gunzip/main' -include { GUNZIP as GUNZIP_FNA } from '../modules/nf-core/gunzip/main' -include { GUNZIP as GUNZIP_FAA } from '../modules/nf-core/gunzip/main' -include { GUNZIP as GUNZIP_GFF } from '../modules/nf-core/gunzip/main' -include { GUNZIP as GUNZIP_GBK } from '../modules/nf-core/gunzip/main' -include { BIOAWK } from '../modules/nf-core/bioawk/main' -include { PROKKA } from '../modules/nf-core/prokka/main' -include { PRODIGAL as PRODIGAL_GFF } from '../modules/nf-core/prodigal/main' -include { PRODIGAL as PRODIGAL_GBK } from '../modules/nf-core/prodigal/main' -include { PYRODIGAL } from '../modules/nf-core/pyrodigal/main' -include { BAKTA_BAKTADBDOWNLOAD } from '../modules/nf-core/bakta/baktadbdownload/main' -include { BAKTA_BAKTA } from '../modules/nf-core/bakta/bakta/main' +include { MULTIQC } from '../modules/nf-core/multiqc/main' +include { CUSTOM_DUMPSOFTWAREVERSIONS } from '../modules/nf-core/custom/dumpsoftwareversions/main' +include { GUNZIP as GUNZIP_FASTA_PREP } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PRODIGAL_FNA } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PRODIGAL_FAA } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PRODIGAL_GFF } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PYRODIGAL_FNA } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PYRODIGAL_FAA } from '../modules/nf-core/gunzip/main' +include { GUNZIP as GUNZIP_PYRODIGAL_GFF } from '../modules/nf-core/gunzip/main' +include { BIOAWK } from '../modules/nf-core/bioawk/main' +include { PROKKA } from '../modules/nf-core/prokka/main' +include { PRODIGAL as PRODIGAL_GFF } from '../modules/nf-core/prodigal/main' +include { PRODIGAL as PRODIGAL_GBK } from '../modules/nf-core/prodigal/main' +include { PYRODIGAL } from '../modules/nf-core/pyrodigal/main' +include { BAKTA_BAKTADBDOWNLOAD } from '../modules/nf-core/bakta/baktadbdownload/main' +include { BAKTA_BAKTA } from '../modules/nf-core/bakta/bakta/main' /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -161,27 +163,29 @@ workflow FUNCSCAN { if ( params.annotation_tool == "prodigal" ) { PRODIGAL_GFF ( ch_prepped_input, "gff" ) - GUNZIP_FAA ( PRODIGAL_GFF.out.amino_acid_fasta ) - GUNZIP_FNA ( PRODIGAL_GFF.out.nucleotide_fasta) - GUNZIP_GFF ( PRODIGAL_GFF.out.gene_annotations ) + GUNZIP_PRODIGAL_FAA ( PRODIGAL_GFF.out.amino_acid_fasta ) + GUNZIP_PRODIGAL_FNA ( PRODIGAL_GFF.out.nucleotide_fasta) + GUNZIP_PRODIGAL_GFF ( PRODIGAL_GFF.out.gene_annotations ) ch_versions = ch_versions.mix(PRODIGAL_GFF.out.versions) - ch_annotation_faa = GUNZIP_FAA.out.gunzip - ch_annotation_fna = GUNZIP_FNA.out.gunzip - ch_annotation_gff = GUNZIP_GFF.out.gunzip + ch_annotation_faa = GUNZIP_PRODIGAL_FAA.out.gunzip + ch_annotation_fna = GUNZIP_PRODIGAL_FNA.out.gunzip + ch_annotation_gff = GUNZIP_PRODIGAL_GFF.out.gunzip ch_annotation_gbk = Channel.empty() // Prodigal GBK and GFF output are mutually exclusive if ( params.save_annotations == true ) { PRODIGAL_GBK ( ch_prepped_input, "gbk" ) - GUNZIP_GBK ( PRODIGAL_GBK.out.gene_annotations) ch_versions = ch_versions.mix(PRODIGAL_GBK.out.versions) ch_annotation_gbk = PRODIGAL_GBK.out.gene_annotations // Prodigal GBK output stays zipped because it is currently not used by any downstream subworkflow. } } else if ( params.annotation_tool == "pyrodigal" ) { PYRODIGAL ( ch_prepped_input ) + GUNZIP_PYRODIGAL_FAA ( PYRODIGAL.out.faa ) + GUNZIP_PYRODIGAL_FNA ( PYRODIGAL.out.fna) + GUNZIP_PYRODIGAL_GFF ( PYRODIGAL.out.gff ) ch_versions = ch_versions.mix(PYRODIGAL.out.versions) - ch_annotation_faa = PYRODIGAL.out.faa - ch_annotation_fna = PYRODIGAL.out.fna - ch_annotation_gff = PYRODIGAL.out.gff + ch_annotation_faa = GUNZIP_PYRODIGAL_FAA.out.gunzip + ch_annotation_fna = GUNZIP_PYRODIGAL_FAA.out.gunzip + ch_annotation_gff = GUNZIP_PYRODIGAL_FAA.out.gunzip ch_annotation_gbk = Channel.empty() // Pyrodigal doesn't produce GBK } else if ( params.annotation_tool == "prokka" ) { PROKKA ( ch_prepped_input, [], [] ) From c9b2bc676c669af7f56778dadb0304219548bc13 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 14:49:13 +0200 Subject: [PATCH 28/36] Update combgc.nf --- modules/local/combgc.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/local/combgc.nf b/modules/local/combgc.nf index cf5ac0aa..8da4c58c 100644 --- a/modules/local/combgc.nf +++ b/modules/local/combgc.nf @@ -5,7 +5,7 @@ process COMBGC { conda "conda-forge::python=3.11.0 conda-forge::biopython=1.80 conda-forge::pandas=1.5.2" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/mulled-v2-27978155697a3671f3ef9aead4b5c823a02cc0b7:548df772fe13c0232a7eab1bc1deb98b495a05ab-0' : - 'quay.io/biocontainers/mulled-v2-27978155697a3671f3ef9aead4b5c823a02cc0b7:548df772fe13c0232a7eab1bc1deb98b495a05ab-0' }" + 'biocontainers/mulled-v2-27978155697a3671f3ef9aead4b5c823a02cc0b7:548df772fe13c0232a7eab1bc1deb98b495a05ab-0' }" input: tuple val(meta), path(input_paths) From 4f901c54e8e5291ecec9fc7fd75fb7a0570396af Mon Sep 17 00:00:00 2001 From: jasmezz Date: Fri, 12 May 2023 16:54:55 +0200 Subject: [PATCH 29/36] Add DRAMP directory in docs [skip ci] --- docs/output.md | 2 +- nextflow_schema.json | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/output.md b/docs/output.md index 39c038da..e713047d 100644 --- a/docs/output.md +++ b/docs/output.md @@ -10,7 +10,7 @@ The output of nf-core/funcscan provides reports for each of the functional group As a general workflow, we recommend to first look at the summary reports ([ARGs](#hamronization), [AMPs](#ampcombi), [BGCs](#combgc)), to get a general overview of what hits have been found across all the tools of each functional group. After which, you can explore the specific output directories of each tool to get more detailed information about each result. The tool-specific output directories also includes the output from the functional annotation steps of either [prokka](https://github.com/tseemann/prokka), [pyrodigal](https://github.com/althonos/pyrodigal), [prodigal](https://github.com/hyattpd/Prodigal), or [Bakta](https://github.com/oschwengers/bakta) if the `--save_annotations` flag was set. -Similarly, all downloaded databases are saved (i.e. from [antiSMASH](https://docs.antismash.secondarymetabolites.org), [AMRFinderPlus](https://www.ncbi.nlm.nih.gov/pathogens/antimicrobial-resistance/AMRFinder), [Bakta](https://github.com/oschwengers/bakta), and/or [DeepARG](https://bitbucket.org/gusphdproj/deeparg-ss/src/master)) into the output directory `/downloads/` if the `--save_databases` flag was set. +Similarly, all downloaded databases are saved (i.e. from [antiSMASH](https://docs.antismash.secondarymetabolites.org), [AMRFinderPlus](https://www.ncbi.nlm.nih.gov/pathogens/antimicrobial-resistance/AMRFinder), [Bakta](https://github.com/oschwengers/bakta), [DeepARG](https://bitbucket.org/gusphdproj/deeparg-ss/src/master), and/or [AMPcombi](https://github.com/Darcy220606/AMPcombi)) into the output directory `/downloads/` if the `--save_databases` flag was set. Furthermore, for reproducibility, versions of all software used in the run is presented in a [MultiQC](http://multiqc.info) report. diff --git a/nextflow_schema.json b/nextflow_schema.json index 2d9d0b7a..81591e6f 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -407,7 +407,7 @@ "type": "boolean", "fa_icon": "fas fa-save", "description": "Specify whether to save pipeline-downloaded databases in your results directory.", - "help_text": "While nf-core/funcscan can download databases for you, often these are very large and can significantly slow-down pipeline runtime if the databases have to be downloaded every run.\n\nSpecifying `--save_databases` while save the pipeline-downloaded databases in your results directory. This applies to: BAKTA, DeepBGC, DeepARG, AMRFinderPlus and antiSMASH.\n\nYou can then move the resulting directories/files to a central cache directory of your choice for re-use in the future.\n\nIf you do not specify these flags, the database files will remain in your `work/` directory and will be deleted if `cleanup = true` is specified in your config, or if you run `nextflow clean`.\n" + "help_text": "While nf-core/funcscan can download databases for you, often these are very large and can significantly slow-down pipeline runtime if the databases have to be downloaded every run.\n\nSpecifying `--save_databases` while save the pipeline-downloaded databases in your results directory. This applies to: BAKTA, DeepBGC, DeepARG, AMRFinderPlus, antiSMASH, and DRAMP.\n\nYou can then move the resulting directories/files to a central cache directory of your choice for re-use in the future.\n\nIf you do not specify these flags, the database files will remain in your `work/` directory and will be deleted if `cleanup = true` is specified in your config, or if you run `nextflow clean`.\n" } }, "fa_icon": "fas fa-database" From a8000c5028f165a1eebbd61186f61865a8721af2 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 17 May 2023 16:36:58 +0200 Subject: [PATCH 30/36] Release version bump --- CHANGELOG.md | 2 +- nextflow.config | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 0365c198..dcbd8d6b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.1.1dev - [unreleased] +## v1.1.1 - [2023-05-17] ### `Added` diff --git a/nextflow.config b/nextflow.config index 19b76889..083b6d2f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -375,7 +375,7 @@ manifest { description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.1.1dev' + version = '1.1.1' doi = '10.5281/zenodo.7643099' } From 6aa0605661fb25a438782589822778c4bf52a7aa Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 24 May 2023 15:36:35 +0200 Subject: [PATCH 31/36] Fix pyrodigal entry in modules.config --- conf/modules.config | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index ff10a342..02f2ea53 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -162,14 +162,14 @@ process { path: { "${params.outdir}/annotation/pyrodigal/${meta.id}" }, mode: params.publish_dir_mode, enabled: params.save_annotations, - pattern: "*.{faa,fna}", + pattern: "*.{faa,fna,gff,score}.gz", saveAs: { filename -> filename.equals('versions.yml') ? null : filename } ] ext.args = [ params.annotation_pyrodigal_singlemode ? "-p single" : "-p meta", - params.annotation_prodigal_closed ? "-c" : "", - params.annotation_prodigal_forcenonsd ? "-n" : "", - "-g ${params.annotation_prodigal_transtable}" + params.annotation_pyrodigal_closed ? "-c" : "", + params.annotation_pyrodigal_forcenonsd ? "-n" : "", + "-g ${params.annotation_pyrodigal_transtable}" ].join(' ').trim() } From 80564c67ae96527cf469084634fde4038138255b Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 24 May 2023 15:46:53 +0200 Subject: [PATCH 32/36] Update changelog --- CHANGELOG.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index dcbd8d6b..eaa1e58d 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -8,13 +8,14 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Added` - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) -- [#274](https://github.com/nf-core/funcscan/pull/274) Update all modules: changed docker links according to the change of quay.io as default repository. (by @jasmezz) +- [#274](https://github.com/nf-core/funcscan/pull/274) Update all modules: changed docker links according to the change of quay.io as default repository and updated funcscan.nf with the now zipped output of Pyrodigal. (by @jasmezz) - [#275](https://github.com/nf-core/funcscan/pull/275) Save DRAMP database in the common database directory if `--save_databases` is supplied. (by @jasmezz) ### `Fixed` - [#272](https://github.com/nf-core/funcscan/pull/272) Fix typo in Prokka output path in modules.config. (by @jasmezz) -- [#237](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module. (reported by @mathavanpu, fix by @louperelo) +- [#273](https://github.com/nf-core/funcscan/pull/273) Update Ampir module after input bugfix in module. (reported by @mathavanpu, fix by @louperelo) +- [#276](https://github.com/nf-core/funcscan/pull/276) Fix Pyrodigal parameters in modules.config. (by @jasmezz) ### `Dependencies` From 304ff8421b47b4ca4490a38d0ff070e534eb19c5 Mon Sep 17 00:00:00 2001 From: Jasmin Frangenberg <73216762+jasmezz@users.noreply.github.com> Date: Wed, 24 May 2023 21:24:26 +0000 Subject: [PATCH 33/36] Apply suggestions from code review [skip ci] Co-authored-by: James A. Fellows Yates --- CHANGELOG.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index eaa1e58d..5b7afdbd 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,12 +3,12 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v1.1.1 - [2023-05-17] +## v1.1.1 - [2023-05-24] ### `Added` - [#270](https://github.com/nf-core/funcscan/pull/270) Merged pipeline template of nf-core/tools version 2.8 and updated modules accordingly. (by @jasmezz, @jfy133) -- [#274](https://github.com/nf-core/funcscan/pull/274) Update all modules: changed docker links according to the change of quay.io as default repository and updated funcscan.nf with the now zipped output of Pyrodigal. (by @jasmezz) +- [#274](https://github.com/nf-core/funcscan/pull/274) Update all modules: changed docker links according to the change of quay.io as default repository and Pyrodigal annotation output now zipped. (by @jasmezz) - [#275](https://github.com/nf-core/funcscan/pull/275) Save DRAMP database in the common database directory if `--save_databases` is supplied. (by @jasmezz) ### `Fixed` From 03cc72a106be575c95322a9e02685448f52881b5 Mon Sep 17 00:00:00 2001 From: jasmezz Date: Wed, 24 May 2023 23:39:43 +0200 Subject: [PATCH 34/36] Version bump --- CHANGELOG.md | 10 ++++++++++ nextflow.config | 2 +- 2 files changed, 11 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 5b7afdbd..3f316ef3 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,16 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). +## v1.1.2dev - [unreleased] + +### `Added` + +### `Fixed` + +### `Dependencies` + +### `Deprecated` + ## v1.1.1 - [2023-05-24] ### `Added` diff --git a/nextflow.config b/nextflow.config index 083b6d2f..43c84887 100644 --- a/nextflow.config +++ b/nextflow.config @@ -375,7 +375,7 @@ manifest { description = """Pipeline for screening for functional components of assembled contigs""" mainScript = 'main.nf' nextflowVersion = '!>=22.10.1' - version = '1.1.1' + version = '1.1.2dev' doi = '10.5281/zenodo.7643099' } From e9be867970e0fb70250b3f6c0849ef053d1d4bf1 Mon Sep 17 00:00:00 2001 From: Adam Talbot Date: Thu, 25 May 2023 12:26:28 +0100 Subject: [PATCH 35/36] Hotfix: docker.registry outside of docker profile --- nextflow.config | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/nextflow.config b/nextflow.config index 43c84887..67a151e5 100644 --- a/nextflow.config +++ b/nextflow.config @@ -350,6 +350,12 @@ env { // Capture exit codes from upstream processes when piping process.shell = ['/bin/bash', '-euo', 'pipefail'] +// Set default registry for Docker and Podman independent of -profile +// Will not be used unless Docker / Podman are enabled +// Set to your registry if you have a mirror of containers +docker.registry = 'quay.io' +podman.registry = 'quay.io' + def trace_timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') timeline { enabled = true From 61df21400188cb90ba1e7a60cf30e9821c980d13 Mon Sep 17 00:00:00 2001 From: Harshil Patel Date: Thu, 25 May 2023 13:22:34 +0100 Subject: [PATCH 36/36] Remove other occurences of docker.registry --- nextflow.config | 2 -- 1 file changed, 2 deletions(-) diff --git a/nextflow.config b/nextflow.config index 67a151e5..15e90338 100644 --- a/nextflow.config +++ b/nextflow.config @@ -259,7 +259,6 @@ profiles { docker { conda.enabled = false docker.enabled = true - docker.registry = 'quay.io' docker.userEmulation = true conda.enabled = false singularity.enabled = false @@ -283,7 +282,6 @@ profiles { } podman { podman.enabled = true - podman.registry = 'quay.io' conda.enabled = false docker.enabled = false singularity.enabled = false