diff options
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/castepxbin/default.nix')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/castepxbin/default.nix | 37 |
1 files changed, 37 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/castepxbin/default.nix b/nixpkgs/pkgs/development/python-modules/castepxbin/default.nix new file mode 100644 index 000000000000..3c4466648633 --- /dev/null +++ b/nixpkgs/pkgs/development/python-modules/castepxbin/default.nix @@ -0,0 +1,37 @@ +{ lib +, buildPythonPackage +, fetchFromGitHub +, numpy +, scipy +, pymatgen +, pytestCheckHook +}: + +buildPythonPackage rec { + pname = "castepxbin"; + version = "0.1.0"; + + src = fetchFromGitHub { + owner = "zhubonan"; + repo = "castepxbin"; + rev = "v${version}"; + sha256 = "16wnd1mwhl204d1s3har2fhyhyjg86sypg00bj812dxk8zixxszf"; + }; + + propagatedBuildInputs = [ + numpy + scipy + pymatgen + ]; + + checkInputs = [ + pytestCheckHook + ]; + + meta = with lib; { + description = "A collection of readers for CASTEP binary outputs"; + homepage = "https://github.com/zhubonan/castepxbin"; + license = licenses.mit; + maintainers = with maintainers; [ dotlambda ]; + }; +} |