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Add pyhmmsearch #51490

Merged
merged 3 commits into from
Oct 21, 2024
Merged

Add pyhmmsearch #51490

merged 3 commits into from
Oct 21, 2024

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apcamargo
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This PR adds pyhmmsearch, by @jolespin.


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coderabbitai bot commented Oct 18, 2024

📝 Walkthrough
📝 Walkthrough

Walkthrough

The metadata file meta.yaml for the pyhmmsearch package has been updated to reflect a new version, changing the version from "2024.10.18" to "2024.10.20". The package name remains "pyhmmsearch". The source section has been modified to include the updated URL for downloading the package from PyPI, along with a new SHA256 checksum for integrity verification. The build section retains the installation script using Python's pip, indicating that the package is architecture-independent (noarch: python). The entry points for the command-line interfaces remain unchanged, linking to their respective main functions in the package. The run_exports section continues to ensure proper dependency pinning. The requirements section specifies the same dependencies needed for both the host and runtime environments, including Python, pip, and specific versions of pyhmmer, pandas, and tqdm. The test section includes commands to verify the installation by checking the help output of the three command-line tools, which remain unchanged. The about section provides metadata about the package, including its homepage, summary, license information, development URL, and documentation URL, with the license family and license file added.

Possibly related PRs

  • 2024.4 #50977: This PR updates the meta.yaml file for the biobb_structure_checking package, changing the version and SHA256 checksum, similar to the version and checksum updates in the main PR for pyhmmsearch.
  • Update Hsdecipher #51093: This PR updates the meta.yaml file for the HSDecipher package, including a version increment and SHA256 checksum update, paralleling the changes made in the main PR.
  • [biobb_analysis] update 5.0.0 #51431: This PR updates the meta.yaml file for the biobb_analysis package, reflecting a version change and SHA256 checksum update, akin to the updates in the main PR.
  • [biobb_cp2k] update 5.0.0 #51528: This PR updates the meta.yaml file for the biobb_cp2k package, which includes a version increment and SHA256 checksum update, similar to the changes in the main PR.

Suggested labels

please review & merge


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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (5)
recipes/pyhmmsearch/meta.yaml (5)

1-6: LGTM! Consider using semantic versioning.

The package information is correctly defined using Jinja2 templating. However, the version number "2024.10.18" appears to be using a date-based versioning scheme. While this is not incorrect, consider adopting semantic versioning (e.g., "1.0.0") for better compatibility with dependency management tools and clearer communication of changes between versions.

🧰 Tools
🪛 yamllint

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)


12-21: LGTM! Consider adding a preserve_egg_dir option.

The build section is well-configured:

  • The build script correctly uses pip for installation.
  • noarch: python is appropriate for a pure Python package.
  • Entry points are correctly defined.
  • The run_exports section ensures proper version pinning, as per the PR objectives.

Consider adding preserve_egg_dir: True if the package has a complex structure or uses namespaces. This can help prevent issues with imports in some cases.


23-31: LGTM! Consider using more specific version constraints.

The requirements section is well-defined:

  • Host requirements correctly include Python and pip.
  • Run requirements match the AI summary and include version constraints.

To ensure better reproducibility and avoid potential compatibility issues, consider using more specific version constraints for the run requirements. For example:

run:
  - python
  - pyhmmer >=0.10.12,<0.11
  - pandas >=2,<3
  - tqdm >=4,<5

This approach allows for minor version updates while preventing major version changes that might introduce breaking changes.


33-39: LGTM! Consider adding more comprehensive tests.

The test section provides basic checks:

  • The import test verifies that the package can be imported.
  • The CLI tests ensure that all entry points are accessible.

To improve the test coverage, consider adding:

  1. Specific test cases that verify the core functionality of the package.
  2. Input/output tests for the CLI tools using sample data.
  3. Unit tests for key functions within the package.

These additions would provide greater confidence in the package's functionality and help catch potential issues early.


41-48: LGTM! Consider adding maintainer information.

The about section provides comprehensive metadata:

  • Home page, summary, and license information are correctly specified.
  • Development and documentation URLs are provided.
  • The license_file is specified, ensuring the full license text is included.

To further improve this section, consider adding maintainer information:

about:
  # ... existing content ...
  maintainers:
    - Your Name <[email protected]>

This addition helps users know who to contact for package-related issues or questions.

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between b0b90be and ddd2410.

📒 Files selected for processing (1)
  • recipes/pyhmmsearch/meta.yaml (1 hunks)
🧰 Additional context used
🪛 yamllint
recipes/pyhmmsearch/meta.yaml

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)

🔇 Additional comments (2)
recipes/pyhmmsearch/meta.yaml (2)

8-10: LGTM! Source configuration is correct.

The source section is well-defined:

  • The URL correctly uses Jinja2 templating to construct the PyPI package URL.
  • The SHA256 checksum is provided, ensuring the integrity of the downloaded package.

1-48: Overall, the recipe looks good with room for minor improvements.

The meta.yaml file for pyhmmsearch is well-structured and adheres to the Bioconda recipe guidelines. It includes all necessary components: package information, source, build configuration, requirements, tests, and metadata.

Summary of suggested improvements:

  1. Consider using semantic versioning instead of date-based versioning.
  2. Add preserve_egg_dir: True to the build section if needed.
  3. Use more specific version constraints for run requirements.
  4. Enhance the test section with more comprehensive tests.
  5. Add maintainer information to the about section.

These improvements will enhance the recipe's maintainability, reproducibility, and user-friendliness. Great job on creating this Bioconda recipe!

🧰 Tools
🪛 yamllint

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)

@apcamargo
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@jolespin it seems that the Icon file is causing an error. Is it necessary for the package?

@jolespin
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@jolespin it seems that the Icon file is causing an error. Is it necessary for the package?

Definitely not. I’ve been trying to remove these in my .gitignore but I think they are being copied over from my Google Drive sync where I do most of my devel. I can push a new update that removes them if they snuck into the tar.gz build.

@apcamargo
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Thanks, @jolespin! Let me know when you push the release so I can update the recipe

@jolespin
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Thanks, @jolespin! Let me know when you push the release so I can update the recipe

I just updated it now. Let me know if any other changes are needed. New version is v2024.10.20

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
recipes/pyhmmsearch/meta.yaml (1)

33-37: LGTM: Test commands are appropriate.

The test section includes commands to verify the installation of all three command-line tools:

  • pyhmmsearch
  • reformat_pyhmmsearch
  • serialize_hmm_models

These tests ensure that the tools are accessible and can run without errors.

Consider adding more comprehensive tests if possible, such as running the tools with sample inputs to verify functionality beyond just the help command.

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between ddd2410 and f2dc643.

📒 Files selected for processing (1)
  • recipes/pyhmmsearch/meta.yaml (1 hunks)
🧰 Additional context used
🪛 yamllint
recipes/pyhmmsearch/meta.yaml

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)

🔇 Additional comments (6)
recipes/pyhmmsearch/meta.yaml (6)

1-6: LGTM: Package name and version are correctly updated.

The package name "pyhmmsearch" is correct, and the version has been updated to "2024.10.20" as discussed in the PR comments.

🧰 Tools
🪛 yamllint

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)


12-21: LGTM: Build configuration is correct and follows guidelines.

The build section is well-configured:

  • Uses pip for installation
  • Correctly set as noarch: python
  • Defines appropriate entry points for the command-line tools
  • Includes run_exports for proper dependency pinning

This configuration adheres to Bioconda guidelines and ensures proper package functionality.


23-31: LGTM: Requirements are correctly specified.

The requirements section is well-defined:

  • Host requirements (Python and pip) are appropriate for building the package.
  • Run requirements include the necessary dependencies with proper version constraints:
    • pyhmmer >=0.10.12
    • pandas >=2
    • tqdm >=4

This ensures compatibility and proper functionality of the package.


39-46: LGTM: About section is comprehensive and well-defined.

The about section provides complete metadata for the package:

  • Home, summary, and URLs are correctly specified.
  • License information is now complete with the addition of license family (MIT) and license file.

This metadata enhances the package's discoverability and compliance with packaging standards.


1-2: Note on static analysis hint: False positive, can be ignored.

The yamllint tool reports a syntax error for the '%' character at the beginning of the file. This is a false positive as the '%' is part of the Jinja2 templating syntax commonly used in Conda recipes. The syntax is correct and should not be changed.

🧰 Tools
🪛 yamllint

[error] 1-1: syntax error: found character '%' that cannot start any token

(syntax)


8-10: LGTM: Source URL and SHA256 checksum updated.

The source URL has been correctly updated to reflect the new version. The SHA256 checksum has also been updated.

To ensure the integrity of the package, please verify the SHA256 checksum:

@apcamargo
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Thanks, @jolespin! It worked.

I saw that the other two repos also have an Icon file. I can create a PR with the recipes when you update them.

@apcamargo
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@BiocondaBot please add label

@BiocondaBot BiocondaBot added the please review & merge set to ask for merge label Oct 21, 2024
@jolespin
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jolespin commented Oct 21, 2024

Thanks, @jolespin! It worked.

I saw that the other two repos also have an Icon file. I can create a PR with the recipes when you update them.

@apcamargo Excellent! I'll fix it for pykofamsearch but I'm having trouble using entry points correctly with kegg_pathway_profiler. I currently have my executables in [package-directory]/bin/ which can't be accessed by entry points so I moved them into [package-directory]/kegg_pathway_profiler/cli/ but had trouble importing them into init.py properly. I wonder if it's because they have "-" characters instead of "_"? Regardless, I'll get the pykofamsearch fixed right now.

@mencian mencian merged commit 7d2ef0e into bioconda:master Oct 21, 2024
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@coderabbitai coderabbitai bot mentioned this pull request Oct 21, 2024
@apcamargo apcamargo deleted the pyhmmsearch branch November 2, 2024 21:39
@coderabbitai coderabbitai bot mentioned this pull request Nov 14, 2024
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