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Update biobb_pmx to 5.0.0 #52245

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Update biobb_pmx to 5.0.0 #52245

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Update biobb_pmx: 4.2.15.0.0

install with bioconda Conda

Info Link or Description
Recipe recipes/biobb_pmx (click to view/edit other files)
Summary Biobb_pmx is the Biobb module collection to perform PMX (http://pmx.mpibpc.mpg.de) executions.
Home https://github.com/bioexcel/biobb_pmx
Releases https://pypi.org/pypi/biobb_pmx/json
Recipe Maintainer(s) @

This pull request was automatically generated (see docs).

@BiocondaBot BiocondaBot added autobump Automatic Version Update new version labels Nov 20, 2024
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coderabbitai bot commented Nov 20, 2024

📝 Walkthrough

Walkthrough

The pull request updates the meta.yaml file for the biobb_pmx package. The primary changes include an increment in the version number from 4.2.1 to 5.0.0 and an update to the SHA256 checksum, changing it from 043a76935e7c6e41b3f71db9e2ac73a48dea8dab0386e1743ae27ad513a64ddb to 85a3ce47605c073c62ed3c1e4471d7791ea7d58fb6bde9fdead3b89e1f8cd38a. The dependencies listed in the requirements section remain unchanged, with biobb_common and pmx_biobb still pinned to versions 4.2.0 and 4.1.3, respectively, for both host and run requirements. The overall structure of the meta.yaml file, which includes sections for package, source, build, requirements, test, about, and extra, has not been altered aside from the specified updates.

Possibly related PRs

Suggested reviewers

  • gbayarri
  • adamhospital

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Actionable comments posted: 1

🧹 Outside diff range and nitpick comments (2)
recipes/biobb_pmx/meta.yaml (2)

Line range hint 41-41: Update version in package description

The description section still references the old version:

v4.2.1 Jan 2024 Release

This should be updated to reflect the new version 5.0.0.

🧰 Tools
🪛 yamllint

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

(syntax)


Dependencies need to be updated to match biobb_pmx 5.0.0 requirements

The dependencies in meta.yaml need to be updated to match the requirements of biobb_pmx 5.0.0:

  • biobb_common should be updated from 4.2.0 to 5.0.0
  • pmx_biobb remains at 4.1.3
🔗 Analysis chain

Line range hint 23-29: Verify dependency compatibility with version 5.0.0

The dependencies are pinned to specific versions:

  • biobb_common ==4.2.0
  • pmx_biobb ==4.1.3

Given this is a major version update, please verify if these dependencies need to be updated to support version 5.0.0.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Check if there are newer versions of dependencies
curl -s https://pypi.org/pypi/biobb_common/json | jq '.info.version'
curl -s https://pypi.org/pypi/pmx_biobb/json | jq '.info.version'

# Check dependency requirements in the new version
curl -s https://pypi.org/pypi/biobb_pmx/5.0.0/json | jq '.info.requires_dist'

Length of output: 278

🧰 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 e140830 and 0b51b22.

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

10-10: Verify SHA256 checksum

Please verify that the new SHA256 checksum matches the source package.

@@ -1,13 +1,13 @@
{% set name = "biobb_pmx" %}
{% set version = "4.2.1" %}
{% set version = "5.0.0" %}
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💡 Codebase verification

Update dependencies and description for biobb_pmx 5.0.0

The verification reveals several issues that need attention:

  • The biobb_common dependency is pinned to 4.2.0, but version 5.0.0 is available on PyPI
  • The package description still mentions "v4.2.1 Jan 2024 Release"
  • Given the major version bump and the availability of a new major version of biobb_common, the dependencies should be reviewed

Please:

  1. Update biobb_common dependency to version 5.0.0
  2. Update the description to reflect the current version (5.0.0)
  3. Consider if pmx_biobb ==4.1.3 is compatible with the new major versions
🔗 Analysis chain

Verify breaking changes in version 5.0.0

This is a major version bump from 4.2.1 to 5.0.0, which typically indicates breaking changes. Please ensure that:

  1. Breaking changes are documented
  2. Downstream dependencies are compatible

Let me try to gather more information about the version changes through different sources.


Let me try one more verification to check the dependencies and their versions across releases.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Check release notes and changelog for breaking changes
gh api repos/bioexcel/biobb_pmx/releases/tags/v5.0.0 --jq '.body'

# Check reverse dependencies that might be affected
rg -l "biobb_pmx" recipes/

Length of output: 278


Script:

#!/bin/bash
# Check PyPI for release information
curl -s https://pypi.org/pypi/biobb-pmx/json | jq -r '.info.description'

# Check repository for changelog or release information
fd -t f -e md -e rst "CHANGELOG|HISTORY|RELEASE" -i

# Check commit history for version bump commit message
git log --grep="5.0.0" --pretty=format:"%s%n%b" -i

# Check meta.yaml history for previous version
git log -p recipes/biobb_pmx/meta.yaml | grep -A 1 "set version"

Length of output: 5920


Script:

#!/bin/bash
# Check current dependencies in meta.yaml
cat recipes/biobb_pmx/meta.yaml

# Check if biobb_common and pmx_biobb have newer versions
curl -s https://pypi.org/pypi/biobb-common/json | jq -r '.info.version'
curl -s https://pypi.org/pypi/pmx-biobb/json | jq -r '.info.version'

Length of output: 3201

@BiocondaBot BiocondaBot deleted the bump/biobb_pmx branch November 21, 2024 08:08
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