Update biobb_gromacs to 5.0.0

[BiocondaBot]

Update biobb_gromacs: 4.2.0 → 5.0.0

Info	Link or Description
Recipe	recipes/biobb_gromacs (click to view/edit other files)
Summary	biobb_gromacs is the Biobb module collection to perform molecular dynamics simulations using the GROMACS MD suite.
Home	https://github.com/bioexcel/biobb_gromacs
Releases	https://pypi.org/pypi/biobb_gromacs/json
Recipe Maintainer(s)	@p, @A, @U, @A, @n, @d, @r, @i, @o

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This pull request was automatically generated (see docs).

[coderabbitai]

📝 Walkthrough

Walkthrough

The pull request involves an update to the meta.yaml file for the biobb_gromacs package. The primary change is the version increment from 4.2.0 to 5.0.0. Along with this version change, the SHA256 checksum for the source tarball has been updated to reflect the new version. The requirements section remains unchanged, maintaining dependencies on biobb_common and gromacs, which are pinned to versions 4.2.0 and 2022.2, respectively. The overall structure of the meta.yaml file, including package metadata, build instructions, and test imports, has not been modified aside from the version and checksum updates.

Possibly related PRs

• [biobb_analysis] update 5.0.0 #51431: Updates the meta.yaml file for the biobb_analysis package, changing the version from 4.2.0 to 5.0.0.
• [biobb_chemistry] update 5.0.0 #51435: Changes the biobb_chemistry package's meta.yaml file, updating the version from 4.2.1 to 5.0.0.
• [biobb_cmip] update 5.0.0 #51453: Updates the biobb_cmip package's meta.yaml file from 4.2.0 to 5.0.0.
• Update biobb_cmip to 5.0.0 #51455: Similar to [biobb_cmip] update 5.0.0 #51453, this PR updates the biobb_cmip package from 4.2.0 to 5.0.0.
• [biobb_flexdyn] update 5.0.0 #51605: Updates the biobb_flexdyn package's version from 4.2.0 to 5.0.0.
• [biobb_godmd] update 5.0.0 #52194: Changes the biobb_godmd package's version from 4.2.0 to 5.0.0.

Suggested reviewers

• adamhospital
• gbayarri
• PauAndrio

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📥 Commits

Reviewing files that changed from the base of the PR and between 4c6e870 and a13f405.

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[coderabbitai]

Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)

recipes/biobb_gromacs/meta.yaml (1)

Line range hint 38-54: Update copyright year in package description

The copyright notice in the description shows "2015-2024". Since this is an automated version bump, please verify if this year range is current and accurate.

🧰 Tools

🪛 yamllint

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

(syntax)

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 4c6e870 and a13f405.

📒 Files selected for processing (1)

• recipes/biobb_gromacs/meta.yaml (1 hunks)

🔇 Additional comments (2)

recipes/biobb_gromacs/meta.yaml (2)

2-2: Verify version compatibility with dependencies

The package has been updated to version 5.0.0 (major version bump) but still depends on biobb_common 4.2.0. This version mismatch between major versions could indicate potential compatibility issues. Please verify:

1. If biobb_common 4.2.0 is compatible with biobb_gromacs 5.0.0
2. If there's a newer version of biobb_common that should be used instead

Also applies to: 22-24, 26-28

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9-10: Verify source URL and checksum

The SHA256 checksum has been updated. Please ensure:

1. The source URL is accessible and downloads the correct version
2. The new SHA256 checksum matches the downloaded tarball