numpy>=1.17.3
scipy>=1.6

[all]
eminus[dispersion]
eminus[hdf5]
eminus[libxc]
eminus[torch]
eminus[viewer]

[dev]
coverage>=5
furo>=2022.02.14.1
matplotlib>=3.1.2
mypy>=1.7
notebook>=6
pytest>=6
ruff>=0.7
sphinx>=4
sphinx-design>=0.2
sphinxcontrib-bibtex>=2

[dispersion]
dftd3>=0.6

[fods]
eminus[libxc]

[hdf5]
h5py>=2.9

[jax]
jax>=0.4.8

[libxc]
pyscf>=2.1

[symmetry]
eminus[libxc]

[torch]
torch>=1.8

[viewer]
nglview>=2.6.5
plotly>=4.5
