80 lines
1.5 KiB
Nix
80 lines
1.5 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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# build-system
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setuptools,
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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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rustworkx,
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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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qiskit-aer,
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}:
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buildPythonPackage rec {
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pname = "qiskit-nature";
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version = "0.7.2";
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pyproject = true;
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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 = "refs/tags/${version}";
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hash = "sha256-SVzg3McB885RMyAp90Kr6/iVKw3Su9ucTob2jBckBo0=";
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};
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nativeBuildInputs = [ setuptools ];
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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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rustworkx
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scikit-learn
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scipy
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] ++ lib.optional withPyscf pyscf;
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nativeCheckInputs = [
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pytestCheckHook
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ddt
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pylatexenc
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qiskit-aer
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];
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pythonImportsCheck = [ "qiskit_nature" ];
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pytestFlagsArray = [ "--durations=10" ];
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disabledTests = [
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"test_two_qubit_reduction" # failure cause unclear
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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-nature/releases";
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changelog = "https://qiskit.org/documentation/release_notes.html";
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sourceProvenance = with sourceTypes; [
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fromSource
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binaryNativeCode # drivers/gaussiand/gauopen/*.so
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];
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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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