python3.pkgs.polarizationsolver: init at 00424ac4

polarizationsolver: expose polyrizationsolver: formatting polarizationsolver: platforms polarizationsolver: platforms polarizationsolver: license polarizationsolver: remove redundant platform
NixOS · Nov 22, 2021 · a6a5114 · a6a5114
1 parent dbd7ba5
commit a6a5114
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diff --git a/pkgs/development/python-modules/polarizationsolver/default.nix b/pkgs/development/python-modules/polarizationsolver/default.nix
@@ -0,0 +1,38 @@
+{ buildPythonPackage
+, lib
+, fetchFromGitLab
+, python
+, numpy
+, scipy
+, periodictable
+, fields
+}:
+
+buildPythonPackage rec {
+  pname = "polarizationsolver";
+  version = "unstable-2021-11-02";
+
+  src = fetchFromGitLab {
+    owner = "reinholdt";
+    repo = pname;
+    rev = "00424ac4d1862257a55e4b16543f63ace3fe8c22";
+    sha256 = "sha256-LACf8Xw+o/uJ3+PD/DE/o7nwKY7fv3NyYbpjCrTTnBU=";
+  };
+
+  propagatedBuildInputs = [
+    numpy
+    periodictable
+    scipy
+  ];
+
+  checkInputs = [ fields ];
+
+  pythonImportsCheck = [ "polarizationsolver" ];
+
+  meta = with lib; {
+    description = "Multipole moment solver for quantum chemistry and polarisable embedding";
+    homepage = "https://gitlab.com/reinholdt/polarizationsolver";
+    license = licenses.gpl3Plus;
+    maintainers = [ maintainers.sheepforce ];
+  };
+}
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
@@ -5931,6 +5931,8 @@ in {
 
   poezio = callPackage ../applications/networking/instant-messengers/poezio { };
 
+  polarizationsolver = callPackage ../development/python-modules/polarizationsolver { };
+
   polib = callPackage ../development/python-modules/polib { };
 
   policy-sentry = callPackage ../development/python-modules/policy-sentry { };