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What happens if I push all of nixpkgs
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865 B · 47 lines
Nix
at litex
123456789101112131415161718192021222324252627282930313233343536373839404142434445464748{ 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 ]; };}