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{ lib
, pythonOlder
, buildPythonPackage
, fetchFromGitHub
# Python Inputs
, h5py
, numpy
, psutil
, qiskit-terra
, retworkx
, scikit-learn
, scipy
, withPyscf ? false
, pyscf
# Check Inputs
, pytestCheckHook
, ddt
, pylatexenc
}:
buildPythonPackage rec {
pname = "qiskit-nature";
version = "0.2.2";
disabled = pythonOlder "3.6";
src = fetchFromGitHub {
owner = "qiskit";
repo = pname;
rev = version;
sha256 = "sha256-nQbvH911Gt4KddG23qwmiXfRJTWwVEsrzPvuTQfy4FY=";
};
postPatch = ''
substituteInPlace requirements.txt --replace "h5py<3.3" "h5py"
'';
propagatedBuildInputs = [
h5py
numpy
psutil
qiskit-terra
retworkx
scikit-learn
scipy
] ++ lib.optional withPyscf pyscf;
checkInputs = [
pytestCheckHook
ddt
pylatexenc
];
pythonImportsCheck = [ "qiskit_nature" ];
pytestFlagsArray = [
"--durations=10"
] ++ lib.optionals (!withPyscf) [
"--ignore=test/algorithms/excited_state_solvers/test_excited_states_eigensolver.py"
];
disabledTests = [
# small math error < 0.05 (< 9e-6 %)
"test_vqe_uvccsd_factory"
# unsure of failure reason. Might be related to recent cvxpy update?
"test_two_qubit_reduction"
] ++ lib.optionals (!withPyscf) [
"test_h2_bopes_sampler"
"test_potential_interface"
];
meta = with lib; {
description = "Software for developing quantum computing programs";
homepage = "https://qiskit.org";
downloadPage = "https://github.com/QISKit/qiskit-optimization/releases";
changelog = "https://qiskit.org/documentation/release_notes.html";
license = licenses.asl20;
maintainers = with maintainers; [ drewrisinger ];
};
}
|
