ase>=3.22.0
gpaw>=26.7.0
spglib
docutils
elastic
requests
phonopy
pyrapl
pymongo
pandas
setuptools_scm

[all]
asap3
kimpy
torch
mace-torch
chgnet
sevenn
cython==3.1.3

[md]
asap3
kimpy

[ml]
torch
mace-torch
chgnet
sevenn
