Contributing

Contributing#

We welcome contributions to the vasp-ase project!

Development Setup#

git clone https://github.com/jkitchin/vasp.git
cd vasp
pip install -e ".[dev]"

Running Tests#

pytest

With coverage:

pytest --cov=vasp

Code Style#

We use:

  • ruff for linting

  • mypy for type checking

ruff check .
mypy vasp

Pull Request Process#

  1. Fork the repository

  2. Create a feature branch

  3. Make your changes

  4. Add tests for new functionality

  5. Run tests and linting

  6. Submit a pull request

Documentation#

Build docs locally:

pip install -r docs/requirements.txt
jupyter-book build docs

Adding Examples#

Examples go in examples/XX_topic/:

examples/
├── XX_topic/
│   ├── run.py       # Main script
│   └── README.md    # Explanation

Code of Conduct#

Be respectful and inclusive in all interactions.

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