numpy!=1.16,!=1.17,>=1.13
scipy>=1.6.0
h5py>=2.7
setuptools

[all]
pyscf[bse,ccpy,cppe,dispersion,doci,forge,geomopt,properties,pyqmc,semiempirical]

[bse]
basis-set-exchange

[ccpy]
coupled-cluster-py

[cornell_shci]
pyscf-cornell-shci

[cppe]
cppe

[dispersion]
pyscf-dispersion

[doci]
pyscf-doci

[fciqmcscf]
pyscf-fciqmc

[forge]
pyscf-forge

[geomopt]
pyberny>=0.6.2
geometric>=0.9.7.2
pyscf-qsdopt

[icmpspt]
pyscf-icmpspt

[nao]
pyscf-nao

[properties]
pyscf-properties

[pyqmc]
pyqmc

[semiempirical]
pyscf-semiempirical

[shciscf]
pyscf-shciscf

[tblis]
pyscf-tblis
