diff --git a/.editorconfig b/.editorconfig index b6b3190..b78de6e 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}] +[*.{md,yml,yaml,html,css,scss,js,cff}] indent_size = 2 # These files are edited and tested upstream in nf-core/modules diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 69106e8..b8c3044 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -15,8 +15,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/gwas - [ ] 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/gwas/tree/master/.github/CONTRIBUTING.md) - - [ ] If necessary, also make a PR on the nf-core/gwas _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/gwas/tree/master/.github/CONTRIBUTING.md)- [ ] If necessary, also make a PR on the nf-core/gwas _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/ci.yml b/.github/workflows/ci.yml index aebb50e..aaa040f 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -10,7 +10,6 @@ on: env: NXF_ANSI_LOG: false - CAPSULE_LOG: none jobs: test: @@ -20,27 +19,17 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - # Nextflow versions - include: - # Test pipeline minimum Nextflow version - - NXF_VER: "21.10.3" - NXF_EDGE: "" - # Test latest edge release of Nextflow - - NXF_VER: "" - NXF_EDGE: "1" + NXF_VER: + - "21.10.3" + - "latest-everything" steps: - name: Check out pipeline code uses: actions/checkout@v2 - name: Install Nextflow - env: - NXF_VER: ${{ matrix.NXF_VER }} - # Uncomment only if the edge release is more recent than the latest stable release - # See https://github.com/nextflow-io/nextflow/issues/2467 - # NXF_EDGE: ${{ matrix.NXF_EDGE }} - run: | - wget -qO- get.nextflow.io | bash - sudo mv nextflow /usr/local/bin/ + uses: nf-core/setup-nextflow@v1 + with: + version: "${{ matrix.NXF_VER }}" - name: Run pipeline with test data # TODO nf-core: You can customise CI pipeline run tests as required diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 77358de..8a5ce69 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -35,6 +35,36 @@ jobs: - name: Run Prettier --check run: prettier --check ${GITHUB_WORKSPACE} + PythonBlack: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v2 + + - name: Check code lints with Black + uses: psf/black@stable + + # If the above check failed, post a comment on the PR explaining the failure + - name: Post PR comment + if: failure() + uses: mshick/add-pr-comment@v1 + with: + message: | + ## Python linting (`black`) is failing + + To keep the code consistent with lots of contributors, we run automated code consistency checks. + To fix this CI test, please run: + + * Install [`black`](https://black.readthedocs.io/en/stable/): `pip install black` + * Fix formatting errors in your pipeline: `black .` + + Once you push these changes the test should pass, and you can hide this comment :+1: + + We highly recommend setting up Black in your code editor so that this formatting is done automatically on save. Ask about it on Slack for help! + + Thanks again for your contribution! + repo-token: ${{ secrets.GITHUB_TOKEN }} + allow-repeats: false + nf-core: runs-on: ubuntu-latest steps: @@ -42,15 +72,11 @@ jobs: uses: actions/checkout@v2 - name: Install Nextflow - env: - CAPSULE_LOG: none - run: | - wget -qO- get.nextflow.io | bash - sudo mv nextflow /usr/local/bin/ + uses: nf-core/setup-nextflow@v1 - uses: actions/setup-python@v3 with: - python-version: "3.6" + python-version: "3.7" architecture: "x64" - name: Install dependencies diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 0000000..4533e2f --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,56 @@ +cff-version: 1.2.0 +message: "If you use `nf-core tools` in your work, please cite the `nf-core` publication" +authors: + - family-names: Ewels + given-names: Philip + - family-names: Peltzer + given-names: Alexander + - family-names: Fillinger + given-names: Sven + - family-names: Patel + given-names: Harshil + - family-names: Alneberg + given-names: Johannes + - family-names: Wilm + given-names: Andreas + - family-names: Ulysse Garcia + given-names: Maxime + - family-names: Di Tommaso + given-names: Paolo + - family-names: Nahnsen + given-names: Sven +title: "The nf-core framework for community-curated bioinformatics pipelines." +version: 2.4.1 +doi: 10.1038/s41587-020-0439-x +date-released: 2022-05-16 +url: https://github.com/nf-core/tools +prefered-citation: + type: article + authors: + - family-names: Ewels + given-names: Philip + - family-names: Peltzer + given-names: Alexander + - family-names: Fillinger + given-names: Sven + - family-names: Patel + given-names: Harshil + - family-names: Alneberg + given-names: Johannes + - family-names: Wilm + given-names: Andreas + - family-names: Ulysse Garcia + given-names: Maxime + - family-names: Di Tommaso + given-names: Paolo + - family-names: Nahnsen + given-names: Sven + doi: 10.1038/s41587-020-0439-x + journal: nature biotechnology + start: 276 + end: 278 + title: "The nf-core framework for community-curated bioinformatics pipelines." + issue: 3 + volume: 38 + year: 2020 + url: https://dx.doi.org/10.1038/s41587-020-0439-x diff --git a/LICENSE b/LICENSE index 46e088a..f1ea2c6 100644 --- a/LICENSE +++ b/LICENSE @@ -1,6 +1,6 @@ MIT License -Copyright (c) Davi Josué Marcon (@Mxrcon), Abhinav Sharma (@abhi18av), Jean-Tristan Brandenburg (@jeantristanb), Lindsay Clark (@lvclark) and Scott Hazelhurst (@shaze) +Copyright (c) Davi Josué Marcon (@Mxrcon), Abhinav Sharma (@abhi18av), Jean-Tristan Brandenburg (@jeantristanb), Lindsay Clark (@lvclark) and Scott Hazelhurst (@shaze). 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 5923803..9fb4a48 100644 --- a/README.md +++ b/README.md @@ -1,19 +1,14 @@ # ![nf-core/gwas](docs/images/nf-core-gwas_logo_light.png#gh-light-mode-only) ![nf-core/gwas](docs/images/nf-core-gwas_logo_dark.png#gh-dark-mode-only) -[![GitHub Actions CI Status](https://github.com/nf-core/gwas/workflows/nf-core%20CI/badge.svg)](https://github.com/nf-core/gwas/actions?query=workflow%3A%22nf-core+CI%22) -[![GitHub Actions Linting Status](https://github.com/nf-core/gwas/workflows/nf-core%20linting/badge.svg)](https://github.com/nf-core/gwas/actions?query=workflow%3A%22nf-core+linting%22) -[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?logo=Amazon%20AWS)](https://nf-co.re/gwas/results) -[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8)](https://doi.org/10.5281/zenodo.XXXXXXX) +[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/gwas/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) [![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A521.10.3-23aa62.svg)](https://www.nextflow.io/) -[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?logo=anaconda)](https://docs.conda.io/en/latest/) -[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?logo=docker)](https://www.docker.com/) -[![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg)](https://sylabs.io/docs/) +[![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/) +[![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/) +[![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/gwas) -[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23gwas-4A154B?logo=slack)](https://nfcore.slack.com/channels/gwas) -[![Follow on Twitter](http://img.shields.io/badge/twitter-%40nf__core-1DA1F2?logo=twitter)](https://twitter.com/nf_core) -[![Watch on YouTube](http://img.shields.io/badge/youtube-nf--core-FF0000?logo=youtube)](https://www.youtube.com/c/nf-core) +[![Get help on Slack](http://img.shields.io/badge/slack-nf--core%20%23gwas-4A154B?labelColor=000000&logo=slack)](https://nfcore.slack.com/channels/gwas)[![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) ## Introduction @@ -25,7 +20,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io), a workflow tool -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/gwas/results). +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/gwas/results). ## Pipeline summary @@ -42,7 +37,7 @@ On release, automated continuous integration tests run the pipeline on a full-si 3. Download the pipeline and test it on a minimal dataset with a single command: - ```console + ```bash nextflow run nf-core/gwas -profile test,YOURPROFILE --outdir ``` @@ -57,7 +52,7 @@ On release, automated continuous integration tests run the pipeline on a full-si - ```console + ```bash nextflow run nf-core/gwas --input samplesheet.csv --outdir --genome GRCh37 -profile ``` diff --git a/assets/email_template.txt b/assets/email_template.txt index 2eb6062..c25ce33 100644 --- a/assets/email_template.txt +++ b/assets/email_template.txt @@ -6,7 +6,6 @@ `._,._,' nf-core/gwas v${version} ---------------------------------------------------- - Run Name: $runName <% if (success){ diff --git a/bin/check_samplesheet.py b/bin/check_samplesheet.py index 3652c63..4b382e8 100755 --- a/bin/check_samplesheet.py +++ b/bin/check_samplesheet.py @@ -11,7 +11,6 @@ from collections import Counter from pathlib import Path - logger = logging.getLogger() @@ -79,13 +78,15 @@ def validate_and_transform(self, row): def _validate_sample(self, row): """Assert that the sample name exists and convert spaces to underscores.""" - assert len(row[self._sample_col]) > 0, "Sample input is required." + if len(row[self._sample_col]) <= 0: + raise AssertionError("Sample input is required.") # Sanitize samples slightly. row[self._sample_col] = row[self._sample_col].replace(" ", "_") def _validate_first(self, row): """Assert that the first FASTQ entry is non-empty and has the right format.""" - assert len(row[self._first_col]) > 0, "At least the first FASTQ file is required." + if len(row[self._first_col]) <= 0: + raise AssertionError("At least the first FASTQ file is required.") self._validate_fastq_format(row[self._first_col]) def _validate_second(self, row): @@ -97,36 +98,46 @@ def _validate_pair(self, row): """Assert that read pairs have the same file extension. Report pair status.""" if row[self._first_col] and row[self._second_col]: row[self._single_col] = False - assert ( - Path(row[self._first_col]).suffixes[-2:] == Path(row[self._second_col]).suffixes[-2:] - ), "FASTQ pairs must have the same file extensions." + first_col_suffix = Path(row[self._first_col]).suffixes[-2:] + second_col_suffix = Path(row[self._second_col]).suffixes[-2:] + if first_col_suffix != second_col_suffix: + raise AssertionError("FASTQ pairs must have the same file extensions.") else: row[self._single_col] = True def _validate_fastq_format(self, filename): """Assert that a given filename has one of the expected FASTQ extensions.""" - assert any(filename.endswith(extension) for extension in self.VALID_FORMATS), ( - f"The FASTQ file has an unrecognized extension: {filename}\n" - f"It should be one of: {', '.join(self.VALID_FORMATS)}" - ) + if not any(filename.endswith(extension) for extension in self.VALID_FORMATS): + raise AssertionError( + f"The FASTQ file has an unrecognized extension: {filename}\n" + f"It should be one of: {', '.join(self.VALID_FORMATS)}" + ) def validate_unique_samples(self): """ Assert that the combination of sample name and FASTQ filename is unique. - In addition to the validation, also rename the sample if more than one sample, - FASTQ file combination exists. + In addition to the validation, also rename all samples to have a suffix of _T{n}, where n is the + number of times the same sample exist, but with different FASTQ files, e.g., multiple runs per experiment. """ - assert len(self._seen) == len(self.modified), "The pair of sample name and FASTQ must be unique." - if len({pair[0] for pair in self._seen}) < len(self._seen): - counts = Counter(pair[0] for pair in self._seen) - seen = Counter() - for row in self.modified: - sample = row[self._sample_col] - seen[sample] += 1 - if counts[sample] > 1: - row[self._sample_col] = f"{sample}_T{seen[sample]}" + if len(self._seen) != len(self.modified): + raise AssertionError("The pair of sample name and FASTQ must be unique.") + seen = Counter() + for row in self.modified: + sample = row[self._sample_col] + seen[sample] += 1 + row[self._sample_col] = f"{sample}_T{seen[sample]}" + + +def read_head(handle, num_lines=10): + """Read the specified number of lines from the current position in the file.""" + lines = [] + for idx, line in enumerate(handle): + if idx == num_lines: + break + lines.append(line) + return "".join(lines) def read_head(handle, num_lines=10): @@ -158,7 +169,7 @@ def sniff_format(handle): handle.seek(0) sniffer = csv.Sniffer() if not sniffer.has_header(peek): - logger.critical(f"The given sample sheet does not appear to contain a header.") + logger.critical("The given sample sheet does not appear to contain a header.") sys.exit(1) dialect = sniffer.sniff(peek) return dialect @@ -196,7 +207,8 @@ def check_samplesheet(file_in, file_out): reader = csv.DictReader(in_handle, dialect=sniff_format(in_handle)) # Validate the existence of the expected header columns. if not required_columns.issubset(reader.fieldnames): - logger.critical(f"The sample sheet **must** contain the column headers: {', '.join(required_columns)}.") + req_cols = ", ".join(required_columns) + logger.critical(f"The sample sheet **must** contain these column headers: {req_cols}.") sys.exit(1) # Validate each row. checker = RowChecker() diff --git a/conf/base.config b/conf/base.config index d0c9179..fa6799d 100644 --- a/conf/base.config +++ b/conf/base.config @@ -26,6 +26,11 @@ process { // adding in your local modules too. // TODO nf-core: Customise requirements for specific processes. // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors + withLabel:process_single { + cpus = { check_max( 1 , 'cpus' ) } + memory = { check_max( 6.GB * task.attempt, 'memory' ) } + time = { check_max( 4.h * task.attempt, 'time' ) } + } withLabel:process_low { cpus = { check_max( 2 * task.attempt, 'cpus' ) } memory = { check_max( 12.GB * task.attempt, 'memory' ) } diff --git a/docs/usage.md b/docs/usage.md index ffbf730..c20ce2f 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -12,7 +12,7 @@ You will need to create a samplesheet with information about the samples you would like to analyse before running the pipeline. Use this parameter to specify its location. It has to be a comma-separated file with 3 columns, and a header row as shown in the examples below. -```console +```bash --input '[path to samplesheet file]' ``` @@ -56,7 +56,7 @@ An [example samplesheet](../assets/samplesheet.csv) has been provided with the p The typical command for running the pipeline is as follows: -```console +```bash nextflow run nf-core/gwas --input samplesheet.csv --outdir --genome GRCh37 -profile docker ``` @@ -64,9 +64,9 @@ This will launch the pipeline with the `docker` configuration profile. See below Note that the pipeline will create the following files in your working directory: -```console +```bash work # Directory containing the nextflow working files - # Finished results in specified location (defined with --outdir) + # Finished results in specified location (defined with --outdir) .nextflow_log # Log file from Nextflow # Other nextflow hidden files, eg. history of pipeline runs and old logs. ``` @@ -75,7 +75,7 @@ work # Directory containing the nextflow working files 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: -```console +```bash nextflow pull nf-core/gwas ``` @@ -251,6 +251,6 @@ Some HPC setups also allow you to run nextflow within a cluster job submitted yo In some cases, the Nextflow Java virtual machines can start to request a large amount of memory. We recommend adding the following line to your environment to limit this (typically in `~/.bashrc` or `~./bash_profile`): -```console +```bash NXF_OPTS='-Xms1g -Xmx4g' ``` diff --git a/lib/WorkflowGwas.groovy b/lib/WorkflowGwas.groovy index f10c39b..1ca83a3 100755 --- a/lib/WorkflowGwas.groovy +++ b/lib/WorkflowGwas.groovy @@ -42,9 +42,7 @@ class WorkflowGwas { yaml_file_text += "data: |\n" yaml_file_text += "${summary_section}" return yaml_file_text - } - - // + }// // Exit pipeline if incorrect --genome key provided // private static void genomeExistsError(params, log) { diff --git a/lib/WorkflowMain.groovy b/lib/WorkflowMain.groovy index ac86c40..890a47a 100755 --- a/lib/WorkflowMain.groovy +++ b/lib/WorkflowMain.groovy @@ -59,6 +59,7 @@ class WorkflowMain { // } // Print parameter summary log to screen + log.info paramsSummaryLog(workflow, params, log) // Check that a -profile or Nextflow config has been provided to run the pipeline @@ -78,17 +79,15 @@ class WorkflowMain { // System.exit(1) // } } - // // Get attribute from genome config file e.g. fasta // - public static String getGenomeAttribute(params, attribute) { - def val = '' + public static Object getGenomeAttribute(params, attribute) { if (params.genomes && params.genome && params.genomes.containsKey(params.genome)) { if (params.genomes[ params.genome ].containsKey(attribute)) { - val = params.genomes[ params.genome ][ attribute ] + return params.genomes[ params.genome ][ attribute ] } } - return val + return null } } diff --git a/main.nf b/main.nf index c6aa0eb..ad562d4 100644 --- a/main.nf +++ b/main.nf @@ -4,7 +4,7 @@ nf-core/gwas ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Github : https://github.com/nf-core/gwas - Website: https://nf-co.re/gwas +Website: https://nf-co.re/gwas Slack : https://nfcore.slack.com/channels/gwas ---------------------------------------------------------------------------------------- */ diff --git a/modules.json b/modules.json index cf1c8fd..9c0337b 100644 --- a/modules.json +++ b/modules.json @@ -3,27 +3,36 @@ "homePage": "https://github.com/nf-core/gwas", "repos": { "nf-core/modules": { - "bcftools/merge": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "custom/dumpsoftwareversions": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "fastqc": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "multiqc": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "tabix/bgzip": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "tabix/tabix": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - }, - "vcftools": { - "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d" - } + "git_url": "https://github.com/nf-core/modules.git", + "modules": { + "bcftools/merge": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "custom/dumpsoftwareversions": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "fastqc": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "multiqc": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "tabix/bgzip": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "tabix/tabix": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + }, + "vcftools": { + "git_sha": "e745e167c1020928ef20ea1397b6b4d230681b4d", + "branch": "master" + } } } -} \ No newline at end of file +} diff --git a/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py b/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py index d139039..787bdb7 100644 --- a/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py +++ b/modules/nf-core/modules/custom/dumpsoftwareversions/templates/dumpsoftwareversions.py @@ -1,9 +1,10 @@ #!/usr/bin/env python -import yaml import platform from textwrap import dedent +import yaml + def _make_versions_html(versions): html = [ @@ -58,11 +59,12 @@ def _make_versions_html(versions): for process, process_versions in versions_by_process.items(): module = process.split(":")[-1] try: - assert versions_by_module[module] == process_versions, ( - "We assume that software versions are the same between all modules. " - "If you see this error-message it means you discovered an edge-case " - "and should open an issue in nf-core/tools. " - ) + if versions_by_module[module] != process_versions: + raise AssertionError( + "We assume that software versions are the same between all modules. " + "If you see this error-message it means you discovered an edge-case " + "and should open an issue in nf-core/tools. " + ) except KeyError: versions_by_module[module] = process_versions diff --git a/nextflow.config b/nextflow.config index c3709d6..89c4853 100644 --- a/nextflow.config +++ b/nextflow.config @@ -73,7 +73,6 @@ params { genome = null igenomes_base = 's3://ngi-igenomes/igenomes' igenomes_ignore = false - // MultiQC options multiqc_config = null multiqc_title = null @@ -93,6 +92,7 @@ params { schema_ignore_params = 'genomes' enable_conda = false + // Config options custom_config_version = 'master' custom_config_base = "https://raw.githubusercontent.com/nf-core/configs/${params.custom_config_version}" @@ -101,6 +101,7 @@ params { config_profile_url = null config_profile_name = null + // Max resource options // Defaults only, expecting to be overwritten max_memory = '128.GB' @@ -128,6 +129,7 @@ includeConfig 'conf/base.config' // } + profiles { debug { process.beforeScript = 'echo $HOSTNAME' } conda { @@ -138,6 +140,15 @@ profiles { shifter.enabled = false charliecloud.enabled = false } + mamba { + params.enable_conda = true + conda.useMamba = true + docker.enabled = false + singularity.enabled = false + podman.enabled = false + shifter.enabled = false + charliecloud.enabled = false + } docker { docker.enabled = true docker.userEmulation = true @@ -175,6 +186,11 @@ profiles { podman.enabled = false shifter.enabled = false } + gitpod { + executor.name = 'local' + executor.cpus = 16 + executor.memory = 60.GB + } test { includeConfig 'conf/test.config' } test_full { includeConfig 'conf/test_full.config' } @@ -215,6 +231,7 @@ profiles { } + // Load igenomes.config if required if (!params.igenomes_ignore) { includeConfig 'conf/igenomes.config' @@ -222,6 +239,7 @@ if (!params.igenomes_ignore) { params.genomes = [:] } + // Export these variables to prevent local Python/R libraries from conflicting with those in the container // The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable. diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..0d62beb --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,10 @@ +# Config file for Python. Mostly used to configure linting of bin/check_samplesheet.py with Black. +# Should be kept the same as nf-core/tools to avoid fighting with template synchronisation. +[tool.black] +line-length = 120 +target_version = ["py37", "py38", "py39", "py310"] + +[tool.isort] +profile = "black" +known_first_party = ["nf_core"] +multi_line_output = 3