Dependency Dashboard

[renovate]

This issue lists Renovate updates and detected dependencies. Read the Dependency Dashboard docs to learn more.
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Repository Problems

These problems occurred while renovating this repository. View logs.

• ⚠️ WARN: pep440: failed to calculate newValue

Abandoned Dependencies

The following dependencies have not received updates for an extended period and may be unmaintained.

View abandoned dependencies (1)

[!NOTE]
Packages are marked as abandoned when they exceed the abandonmentThreshold since their last release. Unlike deprecated packages with official notices, abandonment is detected by release inactivity.

Datasource	Package	Last Updated
pixi	pymol-open-source	2025-02-11

Awaiting Schedule

The following updates are awaiting their schedule. To get an update now, click on a checkbox below.

• Lock file maintenance

Open

The following updates have all been created. To force a retry/rebase of any, click on a checkbox below.

• Update dependency setuptools to v82

Detected Dependencies

github-actions (3)

.github/workflows/CI.yaml (2)

• prefix-dev/pixi v0.54.1
• prefix-dev/pixi v0.54.1

.github/workflows/pre-commit-autoupdate.yaml (1)

• prefix-dev/pixi v0.54.1

.github/workflows/publish-to-pypi.yml (4)

• actions/checkout v6@de0fac2e4500dabe0009e67214ff5f5447ce83dd
• actions/setup-python v6@a309ff8b426b58ec0e2a45f0f869d46889d02405
• pypa/gh-action-pypi-publish v1.14.0@cef221092ed1bacb1cc03d23a2d87d1d172e277b
• python 3.x

pep621 (1)

pyproject.toml (3)

• python >=3.10
• setuptools >=70.0.0
• numpy >=2.0.0

pixi (1)

pixi.toml (14)

• numpy >=2.0.0
• matplotlib *
• nglview *
• setuptools <82 → [Updates: <83]
• scikit-learn *
• pytest *
• pip *
• uv *
• pymol-open-source *
• python 3.11.*
• python 3.10.*
• python 3.12.*
• python 3.13.*
• python 3.14.*

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