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{ lib
, pythonOlder
, buildPythonPackage
, fetchFromGitHub
# build-system
, setuptools
# Python Inputs
, h5py
, numpy
, psutil
, qiskit-terra
, rustworkx
, scikit-learn
, scipy
, withPyscf ? false
, pyscf
# Check Inputs
, pytestCheckHook
, ddt
, pylatexenc
, qiskit-aer
}:
buildPythonPackage rec {
pname = "qiskit-nature";
version = "0.7.2";
pyproject = true;
disabled = pythonOlder "3.6";
src = fetchFromGitHub {
owner = "Qiskit";
repo = pname;
rev = "refs/tags/${version}";
hash = "sha256-SVzg3McB885RMyAp90Kr6/iVKw3Su9ucTob2jBckBo0=";
};
nativeBuildInputs = [
setuptools
];
propagatedBuildInputs = [
h5py
numpy
psutil
qiskit-terra
rustworkx
scikit-learn
scipy
] ++ lib.optional withPyscf pyscf;
nativeCheckInputs = [
pytestCheckHook
ddt
pylatexenc
qiskit-aer
];
pythonImportsCheck = [ "qiskit_nature" ];
pytestFlagsArray = [
"--durations=10"
];
disabledTests = [
"test_two_qubit_reduction" # failure cause unclear
];
meta = with lib; {
description = "Software for developing quantum computing programs";
homepage = "https://qiskit.org";
downloadPage = "https://github.com/QISKit/qiskit-nature/releases";
changelog = "https://qiskit.org/documentation/release_notes.html";
sourceProvenance = with sourceTypes; [
fromSource
binaryNativeCode # drivers/gaussiand/gauopen/*.so
];
license = licenses.asl20;
maintainers = with maintainers; [ drewrisinger ];
};
}
|