aiidateam Adding dependencies to aiida-core
Before adding a new dependency to pyproject.toml, ensure it:
- Fills a non-trivial feature gap not easily resolved otherwise
- Is actively maintained
- Supports all Python versions supported by aiida-core
- Is available on both PyPI and conda-forge
- Uses an MIT-compatible license (MIT, BSD, Apache, LGPL — not GPL)
After modifying pyproject.toml, the uv-lock and generate-conda-environment pre-commit hooks will automatically update uv.lock and environment.yml to stay in sync.
Run uv run pre-commit to trigger them.