ase>=3.22.0
h5py>=3.6.0
interpolation>=2.2.7
numba>=0.60
numpy>=1.20
pyscf>=2.6
pyyaml
scikit-learn>=1.0.1
scipy>=1.12
sympy

[cider24]
torch

[d4]
pyscf-dispersion>=1.3
dftd4>=3.7

[test]
pytest
