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feat: Add support for bgzip output #3267

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merged 9 commits into from
Sep 30, 2024
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@fgvieira fgvieira commented Sep 24, 2024

QC

While the contributions guidelines are more extensive, please particularly ensure that:

  • test.py was updated to call any added or updated example rules in a Snakefile
  • input: and output: file paths in the rules can be chosen arbitrarily
  • wherever possible, command line arguments are inferred and set automatically (e.g. based on file extensions in input: or output:)
  • 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
  • the meta.yaml contains a link to the documentation of the respective tool or command under url:
  • conda environments use a minimal amount of channels and packages, in recommended ordering

Summary by CodeRabbit

  • New Features

    • Added support for optional output compression using bgzip in the seqkit_concat rule.
    • Included htslib version 1.21 as a new dependency.
    • Added the conda-forge channel to enhance package availability.
  • Bug Fixes

    • Updated seqkit package URL to a newer build for improved stability and performance.
  • Chores

    • Enhanced the Conda environment by adding essential libraries and tools.

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📥 Commits

Files that changed from the base of the PR and between 16ee096 and 72b6548.

Walkthrough

The pull request introduces modifications to the bio/seqkit/wrapper.py file, focusing on how the shell command is constructed based on output parameters. Key changes include the addition of conditional output compression using bgzip and adjustments to logging configuration. These updates allow for more flexible command execution depending on whether output compression is required.

Changes

File Change Summary
bio/seqkit/wrapper.py Modified command construction to include optional bgzip compression based on out_bgzip parameter. Logging configuration updated to set stdout to False and stderr to True.

Possibly related PRs

  • fix: Fix datavzrd wrapper #3125: The changes in this PR also modify the utils/datavzrd/wrapper.py file, specifically altering the logic for handling output configuration, which is related to the changes made in the main PR regarding command construction based on output parameters.

Suggested reviewers

  • johanneskoester

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Actionable comments posted: 1

Outside diff range and nitpick comments (1)
bio/seqkit/environment.linux-64.pin.txt (1)

Line range hint 1-4: Suggestion: Add documentation for the environment file

The environment file is well-structured with explicit package URLs, which is excellent for reproducibility. To further improve its usability, consider adding more detailed documentation at the beginning of the file. This could include:

  1. A brief description of the purpose of this environment (e.g., "Environment for running SeqKit with all necessary dependencies").
  2. Instructions on how to create and activate the environment using this file.
  3. A note about the importance of using these exact package versions for reproducibility.
  4. Information on how to update this file if needed in the future.

This additional documentation will help users understand the environment's purpose and how to use it effectively.

Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between d18524d and 692374b.

Files selected for processing (4)
  • bio/seqkit/environment.linux-64.pin.txt (1 hunks)
  • bio/seqkit/environment.yaml (1 hunks)
  • bio/seqkit/test/Snakefile (1 hunks)
  • bio/seqkit/wrapper.py (2 hunks)
Additional context used
Path-based instructions (1)
bio/seqkit/wrapper.py (2)

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.


Pattern **/wrapper.py: Do not complain about use of undefined variable called snakemake.

Ruff
bio/seqkit/wrapper.py

8-8: Undefined name snakemake

(F821)


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Additional comments not posted (10)
bio/seqkit/environment.yaml (3)

2-2: LGTM: Addition of conda-forge channel

The addition of the conda-forge channel is appropriate. It's a reputable source for many bioinformatics tools and dependencies. The placement before bioconda in the channel list is correct, as it follows the recommended channel priority order.


7-7: LGTM: Addition of htslib dependency

The inclusion of htslib =1.21 as a dependency is aligned with the PR objective of adding support for bgzip output. htslib includes bgzip, which will enable the desired functionality. The specific version (1.21) is specified, which is good for ensuring reproducibility of the environment.


Line range hint 1-8: Verify completeness of the PR

The changes in this file align well with the PR objective of adding support for bgzip output. However, the PR description mentions updates to test.py and potentially other files, which are not included in this review.

Please ensure that all necessary changes have been made and included in the PR. Run the following script to check for other modified files:

If there are additional files that should be part of this PR, please include them for review.

bio/seqkit/environment.linux-64.pin.txt (2)

5-5: LGTM: SeqKit package update

The SeqKit package has been updated from build 0 to build 1 (2.8.2-h9ee0642_0 to 2.8.2-h9ee0642_1). This update likely includes minor improvements or bug fixes. It's good practice to use the latest build of a package.


6-29: LGTM: Addition of necessary dependencies

The environment file has been updated with several new dependencies from conda-forge and bioconda channels. These additions, including essential libraries like libgcc, openssl, bzip2, libcurl, and htslib, provide a more comprehensive and robust environment for SeqKit. This update ensures that all necessary components are explicitly specified, which is a good practice for reproducibility.

bio/seqkit/test/Snakefile (1)

189-189: LGTM! Verify wrapper compatibility and update documentation.

The addition of out_bgzip=True to the params section of the seqkit_concat rule aligns with the PR objective to add support for bgzip output. This change is minimal and doesn't affect the existing functionality.

To ensure full compatibility, please verify the following:

  1. The wrapper script (master/bio/seqkit) correctly handles the new out_bgzip parameter.
  2. Update the wrapper documentation to reflect this new option.

You can use the following script to check the wrapper content:

If the wrapper doesn't handle the new parameter or the documentation is missing, please make the necessary updates.

bio/seqkit/wrapper.py (4)

6-6: Importing Path is appropriate for file suffix checking.

The addition of from pathlib import Path is necessary for handling file suffix checks later in the code.


9-9: Logging configuration updated suitably.

Setting stdout=False and stderr=True in snakemake.log_fmt_shell ensures that only stderr is captured in the log. This is appropriate since stdout is being redirected to output files.

Tools
Ruff

9-9: Undefined name snakemake

(F821)


44-54: Command construction with bgzip output is correct.

The shell command is appropriately constructed to handle bgzip compression when out_bgzip is set. Piping the output to bgzip and redirecting to {snakemake.output[0]} is the correct approach.

Tools
Ruff

44-44: Undefined name snakemake

(F821)


56-65: Command construction without bgzip output is correct.

When out_bgzip is not set, the shell command correctly uses the --out-file option to specify the output file, maintaining the original functionality.

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@fgvieira fgvieira requested a review from cmeesters September 25, 2024 07:30
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@fgvieira sorry, Filipe, I am currently in a block course and not able to review until next Monday.

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Actionable comments posted: 1

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 25d6289 and 8f3e697.

📒 Files selected for processing (1)
  • bio/seqkit/wrapper.py (2 hunks)
🧰 Additional context used
📓 Path-based instructions (1)
bio/seqkit/wrapper.py (2)

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.


Pattern **/wrapper.py: Do not complain about use of undefined variable called snakemake.

🪛 Ruff
bio/seqkit/wrapper.py

9-9: Undefined name snakemake

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🔇 Additional comments (1)
bio/seqkit/wrapper.py (1)

9-9: Verify that suppressing stdout logging is intended

By setting stdout=False in snakemake.log_fmt_shell, standard output from the shell command will not be captured in log. Ensure that this change aligns with your logging requirements and that no important information is missed.

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9-9: Undefined name snakemake

(F821)

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I am still unable to test, but the changes look trivial and ok.

Furthermore: I think, if possible we should have more bzip2-support, because bzip2 is likely to compress ordinary sequence files better than gzip.

So: +1

@fgvieira
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seqkit already natively supports gzip/xz/zstd/bzip2. It just does not support bgzip.

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Sorry, I confused the two. No matter: any additional compression format is highly appreciated.

Shall we wait for the 2nd review? David's mailbox just generated an out-of-office reply.

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Actionable comments posted: 2

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 8f3e697 and 15771b9.

📒 Files selected for processing (1)
  • bio/seqkit/wrapper.py (2 hunks)
🧰 Additional context used
📓 Path-based instructions (1)
bio/seqkit/wrapper.py (2)

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.


Pattern **/wrapper.py: Do not complain about use of undefined variable called snakemake.

🪛 Ruff
bio/seqkit/wrapper.py

9-9: Undefined name snakemake

(F821)


40-40: Undefined name snakemake

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🔇 Additional comments (2)
bio/seqkit/wrapper.py (2)

9-9: Verify the intention behind changing stdout logging.

The logging configuration has been modified to set stdout=False. This means that standard output will not be captured in the log file. Please confirm if this is intentional and doesn't negatively impact debugging or monitoring capabilities.

🧰 Tools
🪛 Ruff

9-9: Undefined name snakemake

(F821)


46-52: LGTM: Shell command construction looks good.

The changes to the shell command construction look good. The command is now properly grouped using parentheses, and the {input} variable is correctly used to reflect the changes made for bgzip support. This implementation aligns well with the PR objective of adding support for bgzip output.

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Actionable comments posted: 2

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 15771b9 and 5bc04e3.

📒 Files selected for processing (1)
  • bio/seqkit/wrapper.py (2 hunks)
🧰 Additional context used
📓 Path-based instructions (1)
bio/seqkit/wrapper.py (2)

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.


Pattern **/wrapper.py: Do not complain about use of undefined variable called snakemake.

🪛 Ruff
bio/seqkit/wrapper.py

9-9: Undefined name snakemake

(F821)


40-40: Undefined name snakemake

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🔇 Additional comments (1)
bio/seqkit/wrapper.py (1)

9-9: Verify the intention behind modifying log configuration.

The log configuration has been changed to set stdout=False. This modification may affect error tracking and debugging. Could you please confirm if this change is intentional and explain the reasoning behind it?

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9-9: Undefined name snakemake

(F821)

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
bio/seqkit/wrapper.py (1)

Line range hint 1-1: Consider adding an import for Path.

The static analysis tool Ruff has flagged Path as an undefined name. While the snakemake warnings are false positives (as snakemake is implicitly available in Snakemake wrappers), the Path warning might be valid.

Consider adding the following import at the beginning of the file:

from pathlib import Path

This will resolve the undefined name warning and make the usage of Path explicit.

🧰 Tools
🪛 Ruff

8-8: Undefined name snakemake

(F821)


9-9: Undefined name snakemake

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📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 5bc04e3 and 16ee096.

📒 Files selected for processing (1)
  • bio/seqkit/wrapper.py (2 hunks)
🧰 Additional context used
📓 Path-based instructions (1)
bio/seqkit/wrapper.py (2)

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.


Pattern **/wrapper.py: Do not complain about use of undefined variable called snakemake.

🪛 Ruff
bio/seqkit/wrapper.py

9-9: Undefined name snakemake

(F821)


40-40: Undefined name snakemake

(F821)


41-41: Undefined name Path

(F821)


41-41: Undefined name snakemake

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🔇 Additional comments (4)
bio/seqkit/wrapper.py (4)

9-9: LGTM: Logging configuration updated.

The modification to set stdout=False while keeping stderr=True is appropriate. This change will reduce log verbosity by excluding standard output, while still capturing error messages.

🧰 Tools
🪛 Ruff

9-9: Undefined name snakemake

(F821)


40-44: Excellent implementation of bgzip support!

The addition of bgzip support is well-implemented:

  1. The conditional check for out_bgzip allows for optional use of bgzip compression.
  2. The assertion ensures that the output file has a valid extension (.gz, .bgz, or .bgzip), preventing potential issues.
  3. The use of bgzip with threading (--threads {snakemake.threads}) optimizes performance.
  4. The else clause maintains backward compatibility for non-bgzip output.

This implementation effectively addresses the PR objectives and resolves concerns raised in previous review comments about file extension handling.

🧰 Tools
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47-53: Well-structured shell command modifications.

The changes to the shell command construction are appropriate:

  1. Wrapping the command in parentheses is a good practice for complex shell commands.
  2. Moving {input} to the end of the command allows for conditional piping to bgzip when needed.
  3. These modifications maintain functionality for both bgzip and non-bgzip cases.

The restructured command effectively supports the new bgzip feature while preserving existing functionality.


Line range hint 1-53: Summary: Excellent implementation of bgzip support

This PR successfully implements bgzip support for the seqkit wrapper, meeting the stated objectives. Key points:

  1. The changes are well-structured and maintain backward compatibility.
  2. Edge cases, such as file extensions, are properly handled.
  3. The implementation addresses concerns raised in previous review comments.
  4. Code readability and best practices are maintained.

There's a minor suggestion to add an import for Path, but overall, this is a high-quality contribution that enhances the functionality of the Snakemake wrapper for seqkit.

🧰 Tools
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@fgvieira fgvieira merged commit 36a2b15 into snakemake:master Sep 30, 2024
7 checks passed
@fgvieira fgvieira deleted the seqkit_bgzip branch September 30, 2024 14:17
fgvieira pushed a commit that referenced this pull request Oct 8, 2024
🤖 I have created a release \*beep\* \*boop\*
---
##
[4.7.0](https://www.github.com/snakemake/snakemake-wrappers/compare/v4.6.0...v4.7.0)
(2024-10-04)


### Features

* Add support for bgzip output
([#3267](https://www.github.com/snakemake/snakemake-wrappers/issues/3267))
([36a2b15](https://www.github.com/snakemake/snakemake-wrappers/commit/36a2b15ece9fe03d1c648c575e7828be99a10347))


### Bug Fixes

* Gatk filter mutect call typo
([#3295](https://www.github.com/snakemake/snakemake-wrappers/issues/3295))
([6295e37](https://www.github.com/snakemake/snakemake-wrappers/commit/6295e372ed45d7827e9ad7aae6ba27826b59c5cc))
* Gatk learn orientation model with multiple input files
([#3296](https://www.github.com/snakemake/snakemake-wrappers/issues/3296))
([250dd3e](https://www.github.com/snakemake/snakemake-wrappers/commit/250dd3ec2709d915fb20293207f18e0c83e931a7))


### Performance Improvements

* autobump bio/bbtools
([#3272](https://www.github.com/snakemake/snakemake-wrappers/issues/3272))
([51a5fee](https://www.github.com/snakemake/snakemake-wrappers/commit/51a5feeb4bc7c15bc6bd8442f9ba13e39e77f33b))
* autobump bio/delly
([#3274](https://www.github.com/snakemake/snakemake-wrappers/issues/3274))
([f432006](https://www.github.com/snakemake/snakemake-wrappers/commit/f4320069f90c781308ba1cf5134c92ed91c3548f))
* autobump bio/deseq2/deseqdataset
([#3275](https://www.github.com/snakemake/snakemake-wrappers/issues/3275))
([e311359](https://www.github.com/snakemake/snakemake-wrappers/commit/e31135953256857f1169a6e80a4336878b452659))
* autobump bio/encode_fastq_downloader
([#3276](https://www.github.com/snakemake/snakemake-wrappers/issues/3276))
([29a80c6](https://www.github.com/snakemake/snakemake-wrappers/commit/29a80c6c2de3e343cf6fd2f0e37e16fa9f1ff11a))
* autobump bio/fastq_screen
([#3277](https://www.github.com/snakemake/snakemake-wrappers/issues/3277))
([fead377](https://www.github.com/snakemake/snakemake-wrappers/commit/fead37750da2c1b8787a2b976375258394e1b29d))
* autobump bio/freebayes
([#3278](https://www.github.com/snakemake/snakemake-wrappers/issues/3278))
([bf6a162](https://www.github.com/snakemake/snakemake-wrappers/commit/bf6a16248108351e111f104b82f44ddf74416502))
* autobump bio/gatk3/baserecalibrator
([#3281](https://www.github.com/snakemake/snakemake-wrappers/issues/3281))
([9e32e0f](https://www.github.com/snakemake/snakemake-wrappers/commit/9e32e0f4ed0a4b14eaec19814ea82564f5b2e316))
* autobump bio/gatk3/indelrealigner
([#3279](https://www.github.com/snakemake/snakemake-wrappers/issues/3279))
([26d23ed](https://www.github.com/snakemake/snakemake-wrappers/commit/26d23ed369ca461fca64368dfc7798dd5c9c82de))
* autobump bio/gatk3/printreads
([#3282](https://www.github.com/snakemake/snakemake-wrappers/issues/3282))
([1d621b7](https://www.github.com/snakemake/snakemake-wrappers/commit/1d621b7a137885b8ea13ce056af10c9d523c335a))
* autobump bio/gatk3/realignertargetcreator
([#3280](https://www.github.com/snakemake/snakemake-wrappers/issues/3280))
([90c78fd](https://www.github.com/snakemake/snakemake-wrappers/commit/90c78fd9f1d638823a3c241d1bebdb7e5627681c))
* autobump bio/kallisto/index
([#3091](https://www.github.com/snakemake/snakemake-wrappers/issues/3091))
([5860f2e](https://www.github.com/snakemake/snakemake-wrappers/commit/5860f2ef20a1a8eb49cd39d5b445c0d1aa087453))
* autobump bio/mapdamage2
([#3287](https://www.github.com/snakemake/snakemake-wrappers/issues/3287))
([d2f8a85](https://www.github.com/snakemake/snakemake-wrappers/commit/d2f8a858337e3e5733a325bf510fceb007bf5567))
* autobump bio/meryl/count
([#3286](https://www.github.com/snakemake/snakemake-wrappers/issues/3286))
([b3595af](https://www.github.com/snakemake/snakemake-wrappers/commit/b3595af3d5b7a20ecf5782682992d262aea29a0a))
* autobump bio/meryl/sets
([#3285](https://www.github.com/snakemake/snakemake-wrappers/issues/3285))
([e8579fa](https://www.github.com/snakemake/snakemake-wrappers/commit/e8579fa26864c6eac2296bf56e2e28acd0daea3e))
* autobump bio/meryl/stats
([#3289](https://www.github.com/snakemake/snakemake-wrappers/issues/3289))
([2dadb31](https://www.github.com/snakemake/snakemake-wrappers/commit/2dadb31f01cf4f03ebf4b6dd0e1b06edd05c3ae3))
* autobump bio/multiqc
([#3288](https://www.github.com/snakemake/snakemake-wrappers/issues/3288))
([c69937c](https://www.github.com/snakemake/snakemake-wrappers/commit/c69937cb537efbdd317d56a2edbfde00de1a016c))
* autobump bio/open-cravat/module
([#3291](https://www.github.com/snakemake/snakemake-wrappers/issues/3291))
([dae6566](https://www.github.com/snakemake/snakemake-wrappers/commit/dae6566111a48fd0f7503eef03731ccf218a53a5))
* autobump bio/open-cravat/run
([#3290](https://www.github.com/snakemake/snakemake-wrappers/issues/3290))
([119c11b](https://www.github.com/snakemake/snakemake-wrappers/commit/119c11b6daafe085961d65b2f708bbed627aae87))
* autobump bio/spades/metaspades
([#3292](https://www.github.com/snakemake/snakemake-wrappers/issues/3292))
([6cbbf83](https://www.github.com/snakemake/snakemake-wrappers/commit/6cbbf83eb4ed0e25a700b1729ba4f76b82d76387))
* autobump bio/vep/plugins
([#3293](https://www.github.com/snakemake/snakemake-wrappers/issues/3293))
([ed94694](https://www.github.com/snakemake/snakemake-wrappers/commit/ed946940d0fd4c76f9481a07a458fe27bc4479e3))
* autobump bio/vsearch
([#3294](https://www.github.com/snakemake/snakemake-wrappers/issues/3294))
([fb512aa](https://www.github.com/snakemake/snakemake-wrappers/commit/fb512aa74030f18fa61b6c50c18e4c67413a550c))
---


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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