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