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add ccpy extension
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fishjojo committed Oct 26, 2024
1 parent 25eaa95 commit 32e1423
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3 changes: 2 additions & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -57,8 +57,9 @@ cppe = ["cppe"]
pyqmc = ["pyqmc"]
bse = ["basis-set-exchange"]
dispersion = ["pyscf-dispersion"]
ccpy = ["coupled-cluster-py"]

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

# extras which should not be installed by "all" components
cornell_shci = ["pyscf-cornell-shci"]
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