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fix: Revert cleaning of env vars in apptainer#3285

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johanneskoester merged 3 commits intosnakemake:mainfrom
ronaldlehnigk:ronaldlehnigk-patch-1
Feb 12, 2025
Merged

fix: Revert cleaning of env vars in apptainer#3285
johanneskoester merged 3 commits intosnakemake:mainfrom
ronaldlehnigk:ronaldlehnigk-patch-1

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@ronaldlehnigk
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@ronaldlehnigk ronaldlehnigk commented Feb 7, 2025

This PR reverts the change introduced by 76d5329 which, when using Apptainer/Singularity, forces cleaning of system environment variables going into the container. This is neither a fixed nor default behavior of Apptainer itself since it can be desirable to not fully isolate from the system. Hence Snakemake shouldn't dictate it. With the change in 76d5329, users do not have any chance to deactivate the behavior. On the other hand, the --cleanenv can easily be added through --aptainer-args.

QC

  • The PR contains a test case for the changes or the changes are already covered by an existing test case.
  • The documentation (docs/) is updated to reflect the changes or this is not necessary (e.g. if the change does neither modify the language nor the behavior or functionalities of Snakemake).

Summary by CodeRabbit

  • Chores

    • Updated container execution behavior by removing the --cleanenv option, allowing host environment variables to be passed through to container tasks for a more consistent execution context.
  • Documentation

    • Enhanced documentation on Snakemake workflow structure, adding requirements for a "Code of Conduct," "Contribution instructions," and a "Test directory."
    • Clarified the importance of maintaining a .tests directory and specified subdirectories for integration and unit tests.
    • Updated repository structure requirements to include an SVG-formatted rule graph and technical documentation file.

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coderabbitai bot commented Feb 7, 2025

📝 Walkthrough

Walkthrough

The update modifies the shellcmd function in the snakemake/deployment/singularity.py file by removing the --cleanenv option from the command string used to execute shells inside a Singularity container. This change alters the environment setup during execution while leaving the rest of the function logic intact. Additionally, the documentation for Snakemake workflows is updated to include new requirements for repository structure and emphasizes the importance of certain directories and files.

Changes

File Change Summary
snakemake/deployment/singularity.py Removed the --cleanenv flag from the shell command string.
docs/snakefiles/deployment.rst Updated repository structure requirements for Snakemake workflows, adding new required files and directories, and clarifying existing guidelines.
snakemake/io.py Reformatted type hints in the do_expand and flatten functions for improved readability (no functional changes).

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  • johanneskoester

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  • snakemake/io.py (1 hunks)
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  • snakemake/io.py

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@ronaldlehnigk
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To any maintainer reviewing this, I was considering adding a hint on this to the documentation. However, other than in the command line interface documentation, there is no information on Apptainer. Should there be an FAQ? Should there be a general hint on system environment variables here?

Happy to write a few sentences, let me know where.

@fgvieira
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fgvieira commented Feb 7, 2025

There is a small section here. Do you think it would make sense to add some lines here?

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Thanks a lot! I agree that it would be nice to have a small hint in the respective section of the docs. Would you mind adding that? (here is the source: https://github.com/snakemake/snakemake/blob/main/docs/snakefiles/deployment.rst)

@johanneskoester
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And could you please reformat the source file with black?

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@ronaldlehnigk
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@johanneskoester

Thanks a lot! I agree that it would be nice to have a small hint in the respective section of the docs. Would you mind adding that? (here is the source: https://github.com/snakemake/snakemake/blob/main/docs/snakefiles/deployment.rst)

I did add a hint. However, what felt a bit inconsistent is that there is not way to pass arguments when using Docker. Or is there?

@ronaldlehnigk
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@johanneskoester

And could you please reformat the source file with black?

I did over and over and it didn't change anything until I realized that it is actually a file that I didn't touch: snakemake/snakemake/io.py

I changed it anyway. Out of curiosity: Is always the entire code checked or just the diffs in each pull request?

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The entire code is checked for correct format.

@johanneskoester johanneskoester merged commit e79a51b into snakemake:main Feb 12, 2025
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@ronaldlehnigk
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I'd be happy about a release as well in case you are not planning to do so directly anyway :-)

Not sure what the rule is for a new release...

johanneskoester pushed a commit that referenced this pull request Feb 12, 2025
🤖 I have created a release *beep* *boop*
---


##
[8.28.0](v8.27.1...v8.28.0)
(2025-02-12)


### Features

* do not fail if --cache is active but no SNAKEMAKE_OUTPUT_CACHE env var
is defined. Instead, print a warning that explains the options.
([#3270](#3270))
([9610f7c](9610f7c))


### Bug Fixes

* do not use outdated metadata for rerun triggers (only warn about it)
([#3259](#3259))
([d766a48](d766a48))
* ensure that exceptions print storage queries instead of local copies
of remote files
([#3258](#3258))
([e5d8ec1](e5d8ec1))
* fix error message of evaluate helper function
([#3282](#3282))
([9483a64](9483a64))
* Revert cleaning of env vars in apptainer
([#3285](#3285))
([e79a51b](e79a51b))


### Performance Improvements

* compare checksums of input files &lt;= 1MB (before (10KB)
([#3267](#3267))
([ba017bb](ba017bb))
* query updated input files in parallel
([#3266](#3266))
([bc4fcee](bc4fcee))


### Documentation

* Adds instructions for using syntax highlighting with lazy.nvim
([#3246](#3246))
([7a75043](7a75043))
* Fix typos in basic API example
([#3277](#3277))
([8782219](8782219))

---
This PR was generated with [Release
Please](https://github.com/googleapis/release-please). See
[documentation](https://github.com/googleapis/release-please#release-please).

Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
kjohnsen pushed a commit to kjohnsen/snakemake that referenced this pull request Dec 15, 2025
<!--Add a description of your PR here-->

This PR reverts the change introduced by
76d5329 which, when using
Apptainer/Singularity, forces cleaning of system environment variables
going into the container. This is neither a fixed nor default behavior
of Apptainer itself since it can be desirable to not fully isolate from
the system. Hence Snakemake shouldn't dictate it. With the change in
76d5329, users do not have any chance
to deactivate the behavior. On the other hand, the `--cleanenv` can
easily be added through `--aptainer-args`.

### QC
<!-- Make sure that you can tick the boxes below. -->

* [ ] The PR contains a test case for the changes or the changes are
already covered by an existing test case.
* [ ] The documentation (`docs/`) is updated to reflect the changes or
this is not necessary (e.g. if the change does neither modify the
language nor the behavior or functionalities of Snakemake).


<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **Chores**
- Updated container execution behavior by removing the `--cleanenv`
option, allowing host environment variables to be passed through to
container tasks for a more consistent execution context.
  
- **Documentation**
- Enhanced documentation on Snakemake workflow structure, adding
requirements for a "Code of Conduct," "Contribution instructions," and a
"Test directory."
- Clarified the importance of maintaining a `.tests` directory and
specified subdirectories for integration and unit tests.
- Updated repository structure requirements to include an SVG-formatted
rule graph and technical documentation file.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->
kjohnsen pushed a commit to kjohnsen/snakemake that referenced this pull request Dec 15, 2025
🤖 I have created a release *beep* *boop*
---


##
[8.28.0](snakemake/snakemake@v8.27.1...v8.28.0)
(2025-02-12)


### Features

* do not fail if --cache is active but no SNAKEMAKE_OUTPUT_CACHE env var
is defined. Instead, print a warning that explains the options.
([snakemake#3270](snakemake#3270))
([9610f7c](snakemake@9610f7c))


### Bug Fixes

* do not use outdated metadata for rerun triggers (only warn about it)
([snakemake#3259](snakemake#3259))
([d766a48](snakemake@d766a48))
* ensure that exceptions print storage queries instead of local copies
of remote files
([snakemake#3258](snakemake#3258))
([e5d8ec1](snakemake@e5d8ec1))
* fix error message of evaluate helper function
([snakemake#3282](snakemake#3282))
([9483a64](snakemake@9483a64))
* Revert cleaning of env vars in apptainer
([snakemake#3285](snakemake#3285))
([e79a51b](snakemake@e79a51b))


### Performance Improvements

* compare checksums of input files &lt;= 1MB (before (10KB)
([snakemake#3267](snakemake#3267))
([ba017bb](snakemake@ba017bb))
* query updated input files in parallel
([snakemake#3266](snakemake#3266))
([bc4fcee](snakemake@bc4fcee))


### Documentation

* Adds instructions for using syntax highlighting with lazy.nvim
([snakemake#3246](snakemake#3246))
([7a75043](snakemake@7a75043))
* Fix typos in basic API example
([snakemake#3277](snakemake#3277))
([8782219](snakemake@8782219))

---
This PR was generated with [Release
Please](https://github.com/googleapis/release-please). See
[documentation](https://github.com/googleapis/release-please#release-please).

Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
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3 participants