numpy<2
scipy
ase
matplotlib
cymem
scikit-learn
h5py
matscipy
dscribe>=2.0.0
nbformat
typing_extensions
ray
rich-click>=1.8.3

[:python_version < "3.9"]
importlib-resources>1.3

[all]
agox[docs,test]

[docs]
sphinx
furo
sphinx-autoapi
sphinx-copybutton
sphinx-tabs

[test]
pytest
pytest-mock

[torchjax]
torch
jax
jaxlib
