pymatgen>=2022.0.15<2023
click
networkx>=2.5
backports.cached-property
ase
pyyaml
click
pyeqeq

[docs]
sphinx
sphinx-rtd-theme
sphinx-click
sphinx-autodoc-typehints
sphinx_automodapi

[lint]
isort
black
flake8
pre-commit
bumpversion

[tests]
pytest
tox
coverage
