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feat: pyTMB #2739

Merged
merged 59 commits into from Mar 27, 2024
Merged

feat: pyTMB #2739

merged 59 commits into from Mar 27, 2024

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tdayris
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@tdayris tdayris commented Mar 12, 2024

This PR adds pyTMB to the list of available wrappers.

QC

  • I confirm that:

For all wrappers added by this PR,

  • there is a test case which covers any introduced changes,
  • input: and output: file paths in the resulting rule can be changed arbitrarily,
  • either the wrapper can only use a single core, or the example rule contains a threads: x statement with x being a reasonable default,
  • rule names in the test case are in snake_case and somehow tell what the rule is about or match the tools purpose or name (e.g., map_reads for a step that maps reads),
  • all environment.yaml specifications follow the respective best practices,
  • the environment.yaml pinning has been updated by running snakedeploy pin-conda-envs environment.yaml on a linux machine,
  • wherever possible, command line arguments are inferred and set automatically (e.g. based on file extensions in input: or output:),
  • all fields of the example rules in the Snakefiles and their entries are explained via comments (input:/output:/params: etc.),
  • stderr and/or stdout are logged correctly (log:), depending on the wrapped tool,
  • temporary files are either written to a unique hidden folder in the working directory, or (better) stored where the Python function tempfile.gettempdir() points to (see here; this also means that using any Python tempfile default behavior works),
  • the meta.yaml contains a link to the documentation of the respective tool or command,
  • Snakefiles pass the linting (snakemake --lint),
  • Snakefiles are formatted with snakefmt,
  • Python wrapper scripts are formatted with black.
  • Conda environments use a minimal amount of channels, in recommended ordering. E.g. for bioconda, use (conda-forge, bioconda, nodefaults, as conda-forge should have highest priority and defaults channels are usually not needed because most packages are in conda-forge nowadays).

tdayris and others added 30 commits September 21, 2020 09:16
* perf: update bio/bcftools/index/environment.yaml.

* perf: update bio/bcftools/index/environment.yaml.

* perf: update bio/bcftools/index/environment.yaml.
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* Add autobump action

* fix paths

* dbg

* dbg branch

* add checkout

* dbg

* trigger rerun

* entity regex and add label

* dbg

* Update autobump.yml

* Update autobump.yml
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github-actions bot and others added 22 commits October 13, 2022 14:25
bio/tmb/pytmb/meta.yaml Outdated Show resolved Hide resolved
bio/tmb/pytmb/wrapper.py Outdated Show resolved Hide resolved
@johanneskoester johanneskoester merged commit 0ffbed9 into snakemake:master Mar 27, 2024
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johanneskoester pushed a commit that referenced this pull request Mar 27, 2024
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5 participants