depot/third_party/nixpkgs/pkgs/development/python-modules/qcelemental/default.nix
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GitOrigin-RevId: bc5d68306b40b8522ffb69ba6cff91898c2fbbff
2021-12-06 17:07:01 +01:00

35 lines
713 B
Nix

{ buildPythonPackage, lib, fetchPypi
, networkx
, numpy
, pint
, pydantic
, pytestCheckHook
} :
buildPythonPackage rec {
pname = "qcelemental";
version = "0.24.0";
src = fetchPypi {
inherit pname version;
sha256 = "sha256-XcsR89tu26EG5AcXqmndkESLGWZ8eKmTkjaLziosawE=";
};
propagatedBuildInputs = [
numpy
pydantic
pint
networkx
];
checkInputs = [ pytestCheckHook ];
doCheck = true;
meta = with lib; {
description = "Periodic table, physical constants, and molecule parsing for quantum chemistry";
homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/en/latest/";
license = licenses.bsd3;
maintainers = [ maintainers.sheepforce ];
};
}