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fix: clean env vars in apptainer#3199

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johanneskoester merged 2 commits intosnakemake:mainfrom
laf070810:fix-cleanenv
Nov 12, 2024
Merged

fix: clean env vars in apptainer#3199
johanneskoester merged 2 commits intosnakemake:mainfrom
laf070810:fix-cleanenv

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@laf070810
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@laf070810 laf070810 commented Nov 12, 2024

The apptainer command used in snakemake now does not have --cleanenv (or -e) option. The envinronment variables in the host (e.g. PYTHONPATH or CONDA_EXE) will be passed to the container. This may affect reproducibility and even cause some errors. This PR proposes adding the --cleanenv option to the apptainer commmand to avoid passing host environment variables.

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

  • New Features
    • Enhanced Singularity command execution by adding the --cleanenv option, ensuring a clean environment for better handling of environment variables during execution.

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coderabbitai bot commented Nov 12, 2024

📝 Walkthrough
📝 Walkthrough

Walkthrough

The changes in this pull request involve a modification to the shellcmd function within the snakemake/deployment/singularity.py file. The update adds the --cleanenv option to the command string used for executing shell commands inside a Singularity container. This adjustment ensures that the command runs in a clean environment, potentially affecting the handling of environment variables during execution.

Changes

File Path Change Summary
snakemake/deployment/singularity.py Added --cleanenv option to the command string in the shellcmd function.

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  • johanneskoester

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
snakemake/deployment/singularity.py (1)

Line range hint 1-130: Documentation update needed for --cleanenv behavior

The addition of --cleanenv is a behavioral change that affects environment variable handling. This should be documented to help users understand:

  1. Host environment variables are no longer passed to containers
  2. How to explicitly pass environment variables using the envvars parameter

Would you like me to help draft the documentation updates?

Also applies to: 131-238

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 1be9935 and 0f79036.

📒 Files selected for processing (1)
  • snakemake/deployment/singularity.py (1 hunks)
🧰 Additional context used
📓 Path-based instructions (1)
snakemake/deployment/singularity.py (1)

Pattern **/*.py: Do not try to improve formatting.
Do not suggest type annotations for functions that are defined inside of functions or methods.
Do not suggest type annotation of the self argument of methods.
Do not suggest type annotation of the cls argument of classmethods.
Do not suggest return type annotation if a function or method does not contain a return statement.

🔇 Additional comments (1)
snakemake/deployment/singularity.py (1)

130-130: LGTM! The --cleanenv flag addition improves container isolation.

The change correctly addresses the issue of host environment variables leaking into the container, which enhances reproducibility of Snakemake workflows.

Let's verify compatibility with different singularity/apptainer versions:

✅ Verification successful

LGTM! The --cleanenv flag addition improves container isolation.
The change correctly addresses the issue of host environment variables leaking into the container, enhancing the reproducibility of Snakemake workflows.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Check if --cleanenv flag is supported across versions

# Search for any version-specific handling of --cleanenv flag
rg -A 5 "cleanenv|SINGULARITYENV_" .

# Check if there are any existing version checks for command flags
ast-grep --pattern 'if self.version $$$cleanenv$$$'

Length of output: 932

@sonarqubecloud
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@johanneskoester johanneskoester merged commit 76d5329 into snakemake:main Nov 12, 2024
johanneskoester pushed a commit that referenced this pull request Nov 27, 2024
🤖 I have created a release *beep* *boop*
---


##
[8.25.4](v8.25.3...v8.25.4)
(2024-11-27)


### Bug Fixes

* clean env vars in apptainer
([#3199](#3199))
([76d5329](76d5329))
* ensure that intermediate files in job groups do not cause spurious
mtime errors when checking for consistency with output files
([#3220](#3220))
([4ba2bdf](4ba2bdf))
* Remove incomplete marker also when drop-metadata is active
([#3215](#3215))
([a4f2e5c](a4f2e5c))
* Remove incomplete marker for job finished only after metadata is
written ([#3197](#3197))
([6567e5f](6567e5f))
* Support versioned URLs in Asset class and fix missing versions in
Snakemake report
([#3203](#3203))
([f086f6c](f086f6c))
* update rust-script usage to recent version (v0.35.0)
[#3183](#3183)
([#3208](#3208))
([43885d7](43885d7))


### Documentation

* clarify continuously updated input section
([#3219](#3219))
([72a6994](72a6994))
* Fix typo in CHANGELOG.md
([#3198](#3198))
([0e445ed](0e445ed))
* refer to Merkle trees instead of "blockchain" in caching.rst
([#3216](#3216))
([282e5d9](282e5d9))
* remove twitter in favor of bluesky and mastodon
([#3217](#3217))
([231c6df](231c6df))
* use "dictionary" not "array" wording in config docs
([#3156](#3156))
([17aed41](17aed41))

---
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>
@ronaldlehnigk
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Dear @laf070810, @johanneskoester

I am having trouble with this change, because I have the scenario that the container needs environment variables from the host. E.g. I am consuming information like a SLURM_JOB_ID and in order to be able to run multi-node Apptainer jobs via Slurm`s PMI2 interface.

Is it really necessary to hardcode this into the command? After all, it is not the default behavior for Apptainer, so why should it be forced by a downstream tool, like Snakemake in this case. Is it not possible to achieve this via --apptainer--args? In case it is, I'd be happy if this could be reverted.

Thanks for the feedback!

@ronaldlehnigk
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Dear @laf070810,

have you had a chance to test the proposed approach of just adding --cleanenv to --apptainer--args. I would like to create a PR reverting the change, but don't want to destroy your workflow of course.

Thanks a lot!

@ronaldlehnigk
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OK, no comment, I'll ask for reverting via PR.

@ronaldlehnigk
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#3285

@laf070810
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Dear @laf070810,

have you had a chance to test the proposed approach of just adding --cleanenv to --apptainer--args. I would like to create a PR reverting the change, but don't want to destroy your workflow of course.

Thanks a lot!

I did some tests and it seems OK to use just --apptainer--args to add --cleanenv. Thank you for pointing this out! I think I was not aware of the --apptainer--args option when I proposed this MR. Using --apptainer--args should be a better approach.

@ronaldlehnigk
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Good to know this works for you. Reverting the change in PR together with a comment in the docs.

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3 participants