matplotlib>=3.6.0
MDAnalysis
numpy
pymatgen!=2024.2.20,>=2024.1.26
rich
scikit-image
scipy

[develop]
kaleido<0.4
bump-my-version
coverage[toml]
mypy
pre-commit
pytest>=8.1

[docs]
markdown-include
mkdocs
mkdocs-jupyter
mkdocs-material
mkdocstrings[python]

[publishing]
twine
wheel
build
