Contributing¶
Thank you for your interest in contributing to CNA-ResistDynamics.
Development setup¶
git clone https://github.com/bibymaths/cna-resistdynamics.git
cd cna-resistdynamics
conda env create -f environment.yml
conda activate cna-resist-dynamics
pip install -e ".[dev,docs]"
pre-commit install
Code style¶
This project uses ruff for linting and formatting.
Tests¶
Pre-commit hooks¶
Pre-commit is configured to run ruff, trailing-whitespace, YAML/JSON validators,
and notebook output checks. After installing (pre-commit install) they run
automatically on every commit.
Submitting changes¶
- Fork the repository and create a feature branch.
- Make your changes, ensuring all tests pass and coverage does not drop.
- Add or update docstrings for any new public functions.
- Open a pull request with a clear description of the change.
Reporting issues¶
Please file bug reports and feature requests on GitHub Issues. Include: - Operating system and Python/Conda version - Full error traceback - Minimal reproducing example