Merge pull request #499 from nf-core/dev

Release 2.4
nf-core · Sep 26, 2023 · 18a1645 · 18a1645
2 parents 66cf53a + 3cd985b
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diff --git 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/CONTRIBUTING.md b/.github/CONTRIBUTING.md
@@ -116,4 +116,3 @@ To get started:
 Devcontainer specs:
 
 - [DevContainer config](.devcontainer/devcontainer.json)
-- [Dockerfile](.devcontainer/Dockerfile)
diff --git a/.github/ISSUE_TEMPLATE/bug_report.yml b/.github/ISSUE_TEMPLATE/bug_report.yml
@@ -42,9 +42,9 @@ body:
     attributes:
       label: System information
       description: |
-        * Nextflow version _(eg. 22.10.1)_
+        * Nextflow version _(eg. 23.04.0)_
         * 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/mag _(eg. 1.1, 1.5, 1.8.2)_
diff --git 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/mag/
 
 - [ ] 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/mag/tree/master/.github/CONTRIBUTING.md)- [ ] If necessary, also make a PR on the nf-core/mag _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/mag/tree/master/.github/CONTRIBUTING.md)
+- [ ] If necessary, also make a PR on the nf-core/mag _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 <OUTDIR>`).
 - [ ] Usage Documentation in `docs/usage.md` is updated.

diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml
@@ -14,18 +14,23 @@ jobs:
     runs-on: ubuntu-latest
     steps:
       - name: Launch workflow via tower
-        uses: nf-core/tower-action@v3
+        uses: seqeralabs/action-tower-launch@v2
         with:
           workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }}
           access_token: ${{ secrets.TOWER_ACCESS_TOKEN }}
           compute_env: ${{ secrets.TOWER_COMPUTE_ENV }}
+          revision: ${{ github.sha }}
           workdir: s3://${{ secrets.AWS_S3_BUCKET }}/work/mag/work-${{ github.sha }}
           parameters: |
             {
+              "hook_url": "${{ secrets.MEGATESTS_ALERTS_SLACK_HOOK_URL }}",
               "outdir": "s3://${{ secrets.AWS_S3_BUCKET }}/mag/results-${{ github.sha }}"
             }
-          profiles: test_full,aws_tower
+          profiles: test_full
+
       - uses: actions/upload-artifact@v3
         with:
           name: Tower debug log file
-          path: tower_action_*.log
+          path: |
+            tower_action_*.log
+            tower_action_*.json
diff --git a/.github/workflows/awstest.yml b/.github/workflows/awstest.yml
@@ -12,18 +12,22 @@ 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@v2
         with:
           workspace_id: ${{ secrets.TOWER_WORKSPACE_ID }}
           access_token: ${{ secrets.TOWER_ACCESS_TOKEN }}
           compute_env: ${{ secrets.TOWER_COMPUTE_ENV }}
+          revision: ${{ github.sha }}
           workdir: s3://${{ secrets.AWS_S3_BUCKET }}/work/mag/work-${{ github.sha }}
           parameters: |
             {
               "outdir": "s3://${{ secrets.AWS_S3_BUCKET }}/mag/results-test-${{ github.sha }}"
             }
-          profiles: test,aws_tower
+          profiles: test
+
       - uses: actions/upload-artifact@v3
         with:
           name: Tower debug log file
-          path: tower_action_*.log
+          path: |
+            tower_action_*.log
+            tower_action_*.json
diff --git a/.github/workflows/branch.yml b/.github/workflows/branch.yml
@@ -13,7 +13,7 @@ jobs:
       - name: Check PRs
         if: github.repository == 'nf-core/mag'
         run: |
-          { [[ ${{github.event.pull_request.head.repo.full_name }} == nf-core/mag ]] && [[ $GITHUB_HEAD_REF = "dev" ]]; } || [[ $GITHUB_HEAD_REF == "patch" ]]
+          { [[ ${{github.event.pull_request.head.repo.full_name }} == nf-core/mag ]] && [[ $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/ci.yml b/.github/workflows/ci.yml
@@ -24,7 +24,7 @@ jobs:
     strategy:
       matrix:
         NXF_VER:
-          - "22.10.1"
+          - "23.04.0"
           - "latest-everything"
     steps:
       - name: Free some space
@@ -61,6 +61,7 @@ jobs:
             test_ancient_dna,
             test_adapterremoval,
             test_binrefinement,
+            test_virus_identification,
           ]
     steps:
       - name: Free some space

diff --git a/.github/workflows/clean-up.yml 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
@@ -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/.gitpod.yml b/.gitpod.yml
@@ -1,4 +1,9 @@
 image: nfcore/gitpod:latest
+tasks:
+  - name: Update Nextflow and setup pre-commit
+    command: |
+      pre-commit install --install-hooks
+      nextflow self-update
 
 vscode:
   extensions: # based on nf-core.nf-core-extensionpack

diff --git a/.pre-commit-config.yaml 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
@@ -3,6 +3,56 @@
 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).
 
+## 2.4.0 - 2023-09-25
+
+### `Added`
+
+- [#497](https://github.com/nf-core/mag/pull/497) - Adds support for pointing at a local db for krona, using the parameter `--krona_db` (by @willros).
+- [#395](https://github.com/nf-core/mag/pull/395) - Adds support for fast domain-level classification of bins using Tiara, to allow bins to be separated into eukaryotic and prokaryotic-specific processes.
+- [#422](https://github.com/nf-core/mag/pull/422) - Adds support for normalization of read depth with BBNorm (added by @erikrikarddaniel and @fabianegli)
+- [#439](https://github.com/nf-core/mag/pull/439) - Adds ability to enter the pipeline at the binning stage by providing a CSV of pre-computed assemblies (by @prototaxites)
+- [#459](https://github.com/nf-core/mag/pull/459) - Adds ability to skip damage correction step in the ancient DNA workflow and just run pyDamage (by @jfy133)
+- [#364](https://github.com/nf-core/mag/pull/364) - Adds geNomad nf-core modules for identifying viruses in assemblies (by @PhilPalmer and @CarsonJM)
+- [#481](https://github.com/nf-core/mag/pull/481) - Adds MetaEuk for annotation of eukaryotic MAGs, and MMSeqs2 to enable downloading databases for MetaEuk (by @prototaxites)
+- [#437](https://github.com/nf-core/mag/pull/429) - `--gtdb_db` also now supports directory input of an pre-uncompressed GTDB archive directory (reported by @alneberg, fix by @jfy133)
+- [#494](https://github.com/nf-core/mag/pull/494) - Adds support for saving the BAM files from Bowtie2 mapping of input reads back to assembly (fix by @jfy133)
+
+### `Changed`
+
+- [#428](https://github.com/nf-core/mag/pull/428) [#467](https://github.com/nf-core/mag/pull/467) - Update to nf-core 2.8, 2.9 `TEMPLATE` (by @jfy133)
+- [#429](https://github.com/nf-core/mag/pull/429) - Replaced hardcoded CheckM database auto-download URL to a parameter (reported by @erikrikarddaniel, fix by @jfy133)
+- [#441](https://github.com/nf-core/mag/pull/441) - Deactivated CONCOCT in AWS 'full test' due to very long runtime (fix by @jfy133).
+- [#442](https://github.com/nf-core/mag/pull/442) - Remove warning when BUSCO finds no genes in bins, as this can be expected in some datasets (reported by @Lumimar, fix by @jfy133).
+- [#444](https://github.com/nf-core/mag/pull/444) - Moved BUSCO bash code to script (by @jfy133)
+- [#477](https://github.com/nf-core/mag/pull/477) - `--gtdb` parameter is split into `--skip_gtdbtk` and `--gtdb_db` to allow finer control over GTDB database retrieval (fix by @jfy133)
+- [#500](https://github.com/nf-core/mag/pull/500) - Temporarily disabled downstream processing of both refined and raw bins due to bug (by @jfy133)
+
+### `Fixed`
+
+- [#496](https://github.com/nf-core/mag/pull/496) - Fix help text for paramters `--bowtie2_mode`, `spades_options` and `megahit_options` (by @willros)
+- [#400](https://github.com/nf-core/mag/pull/400) - Fix duplicated Zenodo badge in README (by @jfy133)
+- [#406](https://github.com/nf-core/mag/pull/406) - Fix CheckM database always downloading, regardless if CheckM is selected (by @jfy133)
+- [#419](https://github.com/nf-core/mag/pull/419) - Fix bug with busco_clean parameter, where it is always activated (by @prototaxites)
+- [#426](https://github.com/nf-core/mag/pull/426) - Fixed typo in help text for parameters `--host_genome` and `--host_fasta` (by @tillenglert)
+- [#434](https://github.com/nf-core/mag/pull/434) - Fix location of samplesheet for AWS full tests (reported by @Lfulcrum, fix by @jfy133)
+- [#438](https://github.com/nf-core/mag/pull/438) - Fixed version inconsistency between conda and containers for GTDBTK_CLASSIFYWF (by @jfy133)
+- [#439](https://github.com/nf-core/mag/pull/445) - Fix bug in assembly input (by @prototaxites)
+- [#447](https://github.com/nf-core/mag/pull/447) - Remove `default: None` from parameter schema (by @drpatelh)
+- [#449](https://github.com/nf-core/mag/pull/447) - Fix results file overwriting in Ancient DNA workflow (reported by @alexhbnr, fix by @jfy133)
+- [#470](https://github.com/nf-core/mag/pull/470) - Fix binning preparation from running even when binning was requested to be skipped (reported by @prototaxites, fix by @jfy133)
+- [#480](https://github.com/nf-core/mag/pull/480) - Improved `-resume` reliability through better meta map preservation (reported by @prototaxites, fix by @jfy133)
+- [#493](https://github.com/nf-core/mag/pull/493) - Update `METABAT2` nf-core module so that it reduced the number of unnecessary file moves, enabling virtual filesystems (fix by @adamrtalbot)
+- [#500](https://github.com/nf-core/mag/pull/500) - Fix MaxBin2 bins not being saved in results directly properly (reported by @Perugolate, fix by @jfy133)
+
+### `Dependencies`
+
+| Tool     | Previous version | New version |
+| -------- | ---------------- | ----------- |
+| BCFtools | 1.16             | 1.17        |
+| SAMtools | 1.16.1           | 1.17        |
+| fastp    | 0.23.2           | 0.23.4      |
+| MultiQC  | 1.14             | 1.15        |
+
 ## v2.3.2 - [2023-06-23]
 
 ### `Fixed`
@@ -36,6 +86,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - [#373](https://github.com/nf-core/mag/pull/373) - Removed parameter `--enable_conda`. Updated local modules to new conda syntax and updated nf-core modules (by @skrakau)
 - [#385](https://github.com/nf-core/mag/pull/385) - CAT also now runs on unbinned contigs as well as binned contigs (added by @jfy133)
 - [#399](https://github.com/nf-core/mag/pull/399/files) - Removed undocumented BUSCO_PLOT process (previously generated `*.busco_figure.png` plots unsuitable for metagenomics) (by @skrakau).
+- [#416](https://github.com/nf-core/mag/pull/416) - Use GTDBTK_CLASSIFYWF nf-core module instead of local module (added by @alxndrdiaz)
 
 ### `Fixed`
 

diff --git a/CITATIONS.md b/CITATIONS.md
@@ -14,6 +14,8 @@
 
   > Schubert, M., Lindgreen, S., and Orlando, L. 2016. "AdapterRemoval v2: Rapid Adapter Trimming, Identification, and Read Merging." BMC Research Notes 9 (February): 88. doi: 10.1186/s13104-016-1900-2
 
+- [BBnorm/BBTools](http://sourceforge.net/projects/bbmap/)
+
 - [BCFtools](https://doi.org/10.1093/gigascience/giab008)
 
   > Danecek, Petr, et al. "Twelve years of SAMtools and BCFtools." Gigascience 10.2 (2021): giab008. doi: 10.1093/gigascience/giab008
@@ -52,12 +54,18 @@
 
 - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/)
 
+  > Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. Available online https://www.bioinformatics.babraham.ac.uk/projects/fastqc/.
+
 - [Filtlong](https://github.com/rrwick/Filtlong)
 
 - [Freebayes](https://arxiv.org/abs/1207.3907)
 
   > Garrison E, Marth G. Haplotype-based variant detection from short-read sequencing. arXiv preprint arXiv:1207.3907 [q-bio.GN] 2012
 
+- [geNomad](https://doi.org/10.1101/2023.03.05.531206)
+
+  > Camargo, A. P., et al. (2023). You can move, but you can’t hide: identification of mobile genetic elements with geNomad. bioRxiv preprint. doi: https://doi.org/10.1101/2023.03.05.531206
+
 - [GTDB-Tk](https://doi.org/10.1093/bioinformatics/btz848)
 
   > Chaumeil, P. A., Mussig, A. J., Hugenholtz, P., & Parks, D. H. (2020). GTDB-Tk: a toolkit to classify genomes with the Genome Taxonomy Database. Bioinformatics , 36(6), 1925–1927. doi: 10.1093/bioinformatics/btz848.
@@ -86,6 +94,14 @@
 
   > Kang, D. D., Li, F., Kirton, E., Thomas, A., Egan, R., An, H., & Wang, Z. (2019). MetaBAT 2: an adaptive binning algorithm for robust and efficient genome reconstruction from metagenome assemblies. PeerJ, 7, e7359. doi: 10.7717/peerj.7359.
 
+- [MetaEuk](https://doi.org/10.1186/s40168-020-00808-x)
+
+> Levy Karin, E., Mirdita, M. & Söding, J. MetaEuk—sensitive, high-throughput gene discovery, and annotation for large-scale eukaryotic metagenomics. Microbiome 8, 48 (2020). https://doi.org/10.1186/s40168-020-00808-x
+
+- [MMseqs2](https://www.nature.com/articles/nbt.3988)
+
+> Steinegger, M., Söding, J. MMseqs2 enables sensitive protein sequence searching for the analysis of massive data sets. Nat Biotechnol 35, 1026–1028 (2017). https://doi.org/10.1038/nbt.3988
+
 - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/)
 
   > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924.
@@ -116,10 +132,16 @@
 
   > Li, H., Handsaker, B., Wysoker, A., Fennell, T., Ruan, J., Homer, N., … 1000 Genome Project Data Processing Subgroup. (2009). The Sequence Alignment/Map format and SAMtools. Bioinformatics , 25(16), 2078–2079. doi: 10.1093/bioinformatics/btp352.
 
+- [Seqtk](https://github.com/lh3/seqtk)
+
 - [SPAdes](https://doi.org/10.1101/gr.213959.116)
 
   > Nurk, S., Meleshko, D., Korobeynikov, A., & Pevzner, P. A. (2017). metaSPAdes: a new versatile metagenomic assembler. Genome research, 27(5), 824-834. doi: 10.1101/gr.213959.116.
 
+- [Tiara](https://doi.org/10.1093/bioinformatics/btab672)
+
+  > Karlicki, M., Antonowicz, S., Karnkowska, A., 2022. Tiara: deep learning-based classification system for eukaryotic sequences. Bioinformatics 38, 344–350. doi: 10.1093/bioinformatics/btab672
+
 ## Data
 
 - [Full-size test data](https://doi.org/10.1038/s41587-019-0191-2)
@@ -141,5 +163,8 @@
 
 - [Docker](https://dl.acm.org/doi/10.5555/2600239.2600241)
 
+  > Merkel, D. (2014). Docker: lightweight linux containers for consistent development and deployment. Linux Journal, 2014(239), 2. doi: 10.5555/2600239.2600241.
+
 - [Singularity](https://pubmed.ncbi.nlm.nih.gov/28494014/)
+
   > Kurtzer GM, Sochat V, Bauer MW. Singularity: Scientific containers for mobility of compute. PLoS One. 2017 May 11;12(5):e0177459. doi: 10.1371/journal.pone.0177459. eCollection 2017. PubMed PMID: 28494014; PubMed Central PMCID: PMC5426675.