pymatgen<2023,>=2022.0.12
click
networkx>=2.5
backports.cached-property
ase
pyyaml
click

[dev]
versioneer

[docs]
sphinx
sphinx-book-theme
sphinx-autodoc-typehints
sphinx-copybutton

[eqeq]
pyeqeq>=0.0.8

[pre-commit]
pylint<2.11.0,>=2.8.3
pre-commit

[testing]
pytest
pytest-cov<2.12
