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[pre-commit.ci] pre-commit autoupdate updates: - [github.com/astral-sh/ruff-pre-commit: v0.15.14 → v0.15.15](https://github.com/astral-sh/ruff-pre-commit/compare/v0.15.14...v0.15.15)

pre-commit-ci-update-config

3 days ago

[pre-commit.ci] pre-commit autoupdate (#2437)  updates: - [github.com/astral-sh/ruff-pre-commit: v0.15.12 → v0.15.14](https://github.com/astral-sh/ruff-pre-commit/compare/v0.15.12...v0.15.14)  Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

master

8 days ago

[pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci

hcustc:feat/timed-molecule-output

8 days ago

build: replace openbabel-wheel with openbabel (#2438) Problem - `openbabel-wheel` has been superseded by the official `openbabel` package. - Starting with Open Babel 3.2.0, users can install the Python wheels directly from `openbabel` on PyPI. Change - Replace the `openbabel-wheel` dependency with `openbabel>=3.2.0`. Notes - This keeps the same Python import path (`openbabel`) while depending on the upstream package name. Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)  ## Summary by CodeRabbit * **Chores** * Updated runtime dependency to require OpenBabel >= 3.2.0 (replacing prior wheel packaging). This streamlines packaging, reduces packaging-specific issues, and ensures the application runs with a newer OpenBabel release for improved compatibility, stability, and access to updated features. No other project metadata or runtime tooling settings were changed.  [![Review Change Stack](https://storage.googleapis.com/coderabbit_public_assets/review-stack-in-coderabbit-ui.svg)](https://app.coderabbit.ai/change-stack/deepmodeling/reacnetgenerator/pull/2438?utm_source=github_walkthrough&utm_medium=github&utm_campaign=change_stack)   Co-authored-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

master

8 days ago

Merge branch 'master' into openbabel-3.2

njzjz-bot:openbabel-3.2

8 days ago

build: replace openbabel-wheel with openbabel openbabel-wheel has been superseded by the official openbabel package starting with version 3.2.0. Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)

njzjz-bot:openbabel-3.2

8 days ago

ci: drop Python 3.9 support (#2439) Problem - The project still advertised Python 3.7-3.9 support and built wheels for older CPython versions. Change - Raise `requires-python` and docs to Python 3.10+. - Remove Python 3.7-3.9 classifiers and tox targets. - Update cibuildwheel limited API and wheel matrix to start from CPython 3.10. Notes - Verified with `git diff --check` and `uvx --from build python -m build --sdist --installer uv`. Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5) --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

master

8 days ago

[pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci

njzjz-bot:drop-python-39

8 days ago

Latest Branches

0%

[pre-commit.ci] pre-commit autoupdate#2440

3 days ago

96b048f

pre-commit-ci-update-config

+11%

feat(output): add optional timed molecule output#2436

8 days ago

f750792

hcustc:feat/timed-molecule-output

+16%

build: replace openbabel-wheel with openbabel#2438

8 days ago

098ef0b

njzjz-bot:openbabel-3.2

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