python312Packages.rmsd: 1.6.2 -> 1.6.4 (#373555)

  buildPythonPackage,

  lib,

  fetchPypi,

  numpy,

  scipy,

  setuptools,

  pytestCheckHook,

}:

buildPythonPackage rec {

  pname = "rmsd";

  version = "1.6.2";

  format = "setuptools";

  propagatedBuildInputs = [ scipy ];

  version = "1.6.4";

  pyproject = true;

  src = fetchPypi {

    inherit pname version;

    hash = "sha256-E5QIJRqYivSeMxdSOGNt0sbJ6ExHcyLRZ91X6saduto=";

    hash = "sha256-dhLsFGts45PitSVZxXw5FND3EOeHHWYrH8PZJEYoq+M=";

  };

  build-system = [ setuptools ];

  dependencies = [

    numpy

    scipy

  ];

  pythonImportsCheck = [ "rmsd" ];

  nativeCheckInputs = [ pytestCheckHook ];

  meta = with lib; {

    description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates";

    mainProgram = "calculate_rmsd";