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[biobb_chemistry] update 5.0.3 #52128

Merged
merged 1 commit into from
Nov 15, 2024
Merged

[biobb_chemistry] update 5.0.3 #52128

merged 1 commit into from
Nov 15, 2024

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PauAndrio
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Describe your pull request here


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  run_exports:
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coderabbitai bot commented Nov 15, 2024

📝 Walkthrough

Walkthrough

The pull request involves an update to the meta.yaml file for the biobb_chemistry package. The primary changes include an increment in the package version from 5.0.2 to 5.0.3, an update to the SHA256 checksum for the source tarball from 96c42dda4f898413f3430c6cf73e14f4ab171a93cb8c1faa266f0ded2f905b05 to cc89a00439b85b71bd37980cbfe00a2dbbf201613298bac731cd3830c6fb4f6e, and a modification of the build number from 1 to 0. The remaining sections of the meta.yaml file, including package requirements, test imports, and other metadata, have not been altered. These changes reflect standard practices in package versioning and checksum verification.

Possibly related PRs

Suggested labels

autobump, new version

Suggested reviewers

  • adamhospital
  • gbayarri
  • mencian

📜 Recent review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between a5a4ae3 and f887b5f.

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

Line range hint 13-17: LGTM! Build configuration follows best practices

  • Build number correctly reset to 0 for new version
  • noarch: python is appropriate for pure Python packages
  • run_exports is properly configured with pin_subpackage as recommended in the Bioconda guidelines
🧰 Tools
🪛 yamllint

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

(syntax)


Line range hint 20-31: Verify dependency compatibility

Let's confirm that the pinned dependency versions are compatible with biobb_chemistry 5.0.3.

#!/bin/bash
# Description: Check dependency compatibility and availability

# Check if dependencies are available in bioconda/conda-forge
for PACKAGE in "biobb_common=5.0.0" "openbabel=3.1.1" "ambertools=22.5" "acpype>=2023.10.27"; do
    echo "Checking $PACKAGE..."
    conda search -c bioconda -c conda-forge "$PACKAGE" --json | jq -r '.[]'
done

# Check if there are any known incompatibilities between these versions
# by searching through issues and PRs
gh search issues --repo bioconda/bioconda-recipes "biobb_chemistry dependencies" --json title,body,url
🧰 Tools
🪛 yamllint

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

(syntax)


2-2: Verify package version availability

Let's confirm that version 5.0.3 is published on PyPI.

✅ Verification successful

Version 5.0.3 is available on PyPI

The version 5.0.3 of biobb_chemistry package is correctly published on PyPI, confirming that this version update in the recipe is valid.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Description: Verify package version exists on PyPI
curl -s https://pypi.org/pypi/biobb_chemistry/json | jq -r '.releases | keys[]' | grep "5.0.3" || echo "Version 5.0.3 not found on PyPI"

Length of output: 100


10-10: Verify SHA256 checksum

Let's confirm the SHA256 checksum matches the source tarball from PyPI.


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@PauAndrio PauAndrio merged commit 52b92a7 into master Nov 15, 2024
6 checks passed
@PauAndrio PauAndrio deleted the biobb_chemistry branch November 15, 2024 17:28
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