Rebuild biobb_cp2k

[BiocondaBot]

Rebuild biobb_cp2k to update pinnings

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

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

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This pull request was automatically generated (see docs).

[coderabbitai]

📝 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

• [biobb_common] update 5.0.0 #51335: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0, directly related to the downgrade in the main PR.
• [biobb_amber] update 5.0.0 #51430: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0 in the biobb_amber package, reflecting similar changes.
• [biobb_analysis] update 5.0.0 #51431: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0 in the biobb_analysis package, relevant to the main PR's modifications.
• [biobb_chemistry] update 5.0.0 #51435: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0 in the biobb_chemistry package, related to the main changes.
• [biobb_cmip] update 5.0.0 #51453: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0 in the biobb_cmip package, connected to the main PR.
• [biobb_cp2k] update 5.0.0 #51528: Updates the biobb_common dependency from ==4.2.0 to ==5.0.0 in the biobb_cp2k package, directly related to the main PR's change.

Suggested reviewers

• martin-g
• adamhospital
• gbayarri

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📜 Recent review details

Configuration used: CodeRabbit UI
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)

🧰 Additional context used

🔇 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.

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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.

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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.

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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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