matplotlib>=3.6.0
MDAnalysis
numpy
pymatgen>=2023.8.10
rich
scikit-image
scipy

[develop]
pre-commit
mypy
pytest
coverage[toml]

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

[gemdash]
uncertainties
streamlit

[publishing]
twine
wheel
build
