diff --git a/pkgs/development/python-modules/symfc/default.nix b/pkgs/development/python-modules/symfc/default.nix new file mode 100644 index 000000000000..ce8f4cd947bb --- /dev/null +++ b/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 ]; + }; +} diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix index dddf89675f97..f95226f17c0f 100644 --- a/pkgs/top-level/python-packages.nix +++ b/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 { };