numpy!=1.16,!=1.17,>1.8
scipy!=1.5.0,!=1.5.1
h5py>=2.6

[all]
pyberny>=0.6.2
geometric>=0.9.7.2
pyscf-dftd3
pyscf-dmrgscf
pyscf-doci
pyscf-icmpspt
pyscf-properteis
pyscf-semiempirical
pyscf-shciscf
cppe

[cornell_shci]
pyscf-cornell-shci

[cppe]
cppe

[dftd3]
pyscf-dftd3

[dmrgscf]
pyscf-dmrgscf

[doci]
pyscf-doci

[fciqmcscf]
pyscf-fciqmc

[geomopt]
pyberny>=0.6.2
geometric>=0.9.7.2

[icmpspt]
pyscf-icmpspt

[nao]
pyscf-nao

[properties]
pyscf-properteis

[semiempirical]
pyscf-semiempirical

[shciscf]
pyscf-shciscf

[tblis]
pyscf-tblis
