pymatgen>=2024.5.1
numpy<3.0.0
typing

[dev]
pre-commit>=2.12.1

[docs]
sphinx-copybutton==0.5.2
sphinx<8,>=5
sphinx_design==0.6.0
myst-nb==1.1.1
sphinx-book-theme==1.1.3
sphinx-argparse==0.4.0
sphinx-toolbox==3.7.0

[featurizer]
mendeleev==0.17.0

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