nixpkgs/pkgs/development/python-modules/qcengine/default.nix
Guillaume Girol 33afbf39f6 treewide: switch to nativeCheckInputs
checkInputs used to be added to nativeBuildInputs. Now we have
nativeCheckInputs to do that instead. Doing this treewide change allows
to keep hashes identical to before the introduction of
nativeCheckInputs.
2023-01-21 12:00:00 +00:00

48 lines
865 B
Nix

{ lib
, buildPythonPackage
, fetchPypi
, psutil
, py-cpuinfo
, pydantic
, pytestCheckHook
, pythonOlder
, pyyaml
, qcelemental
}:
buildPythonPackage rec {
pname = "qcengine";
version = "0.26.0";
format = "setuptools";
disabled = pythonOlder "3.7";
src = fetchPypi {
inherit pname version;
hash = "sha256-jBA3exH/qzEaKZeumvgKD0tKnDptZdlv1KykyUHs8Bg=";
};
propagatedBuildInputs = [
psutil
py-cpuinfo
pydantic
pyyaml
qcelemental
];
nativeCheckInputs = [
pytestCheckHook
];
pythonImportsCheck = [
"qcengine"
];
meta = with lib; {
description = "Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry";
homepage = "http://docs.qcarchive.molssi.org/projects/qcelemental/";
license = licenses.bsd3;
maintainers = with maintainers; [ sheepforce ];
};
}