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Rebuild biobb_cp2k #51531

Merged
merged 1 commit into from
Oct 21, 2024
Merged

Rebuild biobb_cp2k #51531

merged 1 commit into from
Oct 21, 2024

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@BiocondaBot BiocondaBot commented Oct 21, 2024

Rebuild biobb_cp2k to update pinnings

install with bioconda Conda

Info Link or Description
Recipe recipes/biobb_cp2k (click to view/edit other files)
Summary Biobb_cp2k is a BioBB category for CP2K QM package.
Home https://github.com/bioexcel/biobb_cp2k
Releases https://pypi.org/pypi/biobb_cp2k/json

(Unable to detect reason for pinning rebuild. Predicted hash has changed, however.)


This pull request was automatically generated (see docs).

@BiocondaBot BiocondaBot added autobump Automatic Version Update new version labels Oct 21, 2024
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coderabbitai bot commented Oct 21, 2024

📝 Walkthrough

Walkthrough

The pull request modifies the meta.yaml file for the biobb_cp2k package. Key changes include updating the minimum required Python version from >=3.9 to >=3.8 in both the host and run sections of the requirements. Additionally, the version of the biobb_common dependency has been downgraded from ==5.0.0 to ==4.2.0, also in both the host and run sections. Minor formatting adjustments were made in the description section, specifically regarding text wrapping, while the content itself remains largely unchanged. These changes indicate a shift to accommodate an earlier version of Python and a specific version of the biobb_common package.

Possibly related PRs

Suggested reviewers

  • martin-g
  • adamhospital
  • gbayarri

📜 Recent review details

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Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between 1059749 and a6b1db3.

📒 Files selected for processing (1)
  • recipes/biobb_cp2k/meta.yaml (2 hunks)
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🔇 Additional comments (4)
recipes/biobb_cp2k/meta.yaml (4)

20-22: Verify the intention behind dependency changes.

The Python version requirement has been lowered from >=3.9 to >=3.8, which increases compatibility. However, the biobb_common version has been downgraded from ==5.0.0 to ==4.2.0. Please confirm if this downgrade is intentional and necessary for compatibility reasons.

Also, ensure these changes are consistent with the package's compatibility requirements and the run section below.


26-27: LGTM for consistency, but clarify biobb_common downgrade.

The changes in the run requirements are consistent with the host requirements, which is good. However, could you please provide more context on why biobb_common is being downgraded from 5.0.0 to 4.2.0? This seems counterintuitive for a version upgrade of biobb_cp2k.


46-46: LGTM: Minor formatting changes in description.

The formatting changes in the description section are minor and don't affect the content. These adjustments likely improve readability or consistency.


Line range hint 1-58: Please clarify the overall strategy for this update.

This PR updates biobb_cp2k to version 5.0.0, which is great. However, there are a few points that need clarification:

  1. The Python version requirement has been lowered from >=3.9 to >=3.8. While this increases compatibility, please confirm if this aligns with the package's development and testing strategy.

  2. The biobb_common dependency has been downgraded from ==5.0.0 to ==4.2.0. This seems counterintuitive for a version upgrade of biobb_cp2k. Could you explain the reasoning behind this change?

  3. Do these changes align with the PR objectives and the package's roadmap?

Please provide some context on these decisions to ensure they align with the project's goals and maintain the package's integrity and compatibility.


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@BiocondaBot BiocondaBot changed the title Update biobb_cp2k to 5.0.0 Rebuild biobb_cp2k Oct 21, 2024
@mencian mencian merged commit 0513338 into master Oct 21, 2024
7 checks passed
@mencian mencian deleted the bump/biobb_cp2k branch October 21, 2024 21:21
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