numpy>=1.18.0
scipy>=1.4.0
networkx>=2.5.0
ase>=3.26.0
pymatgen>=2020.0.0
click<9,>=8.0

[dev]
molcrys-kit[test,vis]
build
ruff>=0.15
pre-commit
nbstripout
twine

[test]
pytest>=6.0.0
pytest-cov
pytest-xdist
pytest-timeout>=2.0

[vis]
nglview
py3Dmol
