python312Packages.symfc: init at 1.0.1

pkgs/development/python-modules/symfc/default.nix

@@ -0,0 +1,49 @@
+{
+  lib,
+  buildPythonPackage,
+  fetchFromGitHub,
+  setuptools,
+  numpy,
+  scipy,
+  spglib,
+  pytestCheckHook,
+}:
+
+buildPythonPackage rec {
+  pname = "symfc";
+  version = "1.3.3";
+  pyproject = true;
+
+  src = fetchFromGitHub {
+    owner = "symfc";
+    repo = "symfc";
+    tag = "v${version}";
+    hash = "sha256-ec/HFs3txVtu46llTmcfDF8j0+mTkozdu7+RsZXaAGE=";
+  };
+
+  build-system = [
+    setuptools
+  ];
+
+  dependencies = [
+    numpy
+    scipy
+    spglib
+  ];
+
+  pythonImportsCheck = [
+    "symfc"
+  ];
+
+  nativeCheckInputs = [
+    pytestCheckHook
+  ];
+
+  meta = {
+    description = "Generate symmetrized force constants";
+    homepage = "https://github.com/symfc/symfc";
+    changelog = "https://github.com/symfc/symfc/releases/tag/v${version}";
+    license = lib.licenses.bsd3;
+    maintainers = with lib.maintainers; [ GaetanLepage ];
+  };
+}

pkgs/top-level/python-packages.nix

@@ -15943,6 +15943,8 @@ self: super: with self; {
     inherit (pkgs) symengine;
   };
 
+  symfc = callPackage ../development/python-modules/symfc { };
+
   sympy = callPackage ../development/python-modules/sympy { };
 
   symspellpy = callPackage ../development/python-modules/symspellpy { };