1 files changed, 74 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/qiskit-nature/default.nix b/nixpkgs/pkgs/development/python-modules/qiskit-nature/default.nix
new file mode 100644
index 000000000000..7c7510675f13
--- /dev/null
+++ b/nixpkgs/pkgs/development/python-modules/qiskit-nature/default.nix
@@ -0,0 +1,74 @@
+{ lib
+, pythonOlder
+, buildPythonPackage
+, fetchFromGitHub
+  # Python Inputs
+, h5py
+, numpy
+, psutil
+, qiskit-terra
+, retworkx
+, scikit-learn
+, scipy
+, withPyscf ? false
+, pyscf
+  # Check Inputs
+, pytestCheckHook
+, ddt
+, pylatexenc
+, qiskit-aer
+}:
+
+buildPythonPackage rec {
+  pname = "qiskit-nature";
+  version = "0.4.3";
+
+  disabled = pythonOlder "3.6";
+
+  src = fetchFromGitHub {
+    owner = "Qiskit";
+    repo = pname;
+    rev = "refs/tags/${version}";
+    sha256 = "sha256-trThxcft6AOxalOglOKPwrJ23Bqt/FmMCAucKmNmB7c=";
+  };
+
+  propagatedBuildInputs = [
+    h5py
+    numpy
+    psutil
+    qiskit-terra
+    retworkx
+    scikit-learn
+    scipy
+  ] ++ lib.optional withPyscf pyscf;
+
+  checkInputs = [
+    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 ];
+  };
+}