pymatgen>=2024.5.1
numpy
typing

[dev]
pre-commit>=2.12.1

[docs]
sphinx-copybutton==0.5.2
sphinx<8,>=5
sphinx_design==0.5.0
myst-nb==1.1.0
sphinx-book-theme==1.1.2
sphinx-argparse==0.4.0
sphinx-toolbox==3.5.0

[featurizer]
mendeleev==0.15.0

[tests]
flake8
pytest
pytest-mock
pytest-split
pytest-cov
