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{ buildPythonPackage
, lib
, fetchPypi
, scipy
}:
buildPythonPackage rec {
pname = "rmsd";
version = "1.5.1";
format = "setuptools";
propagatedBuildInputs = [ scipy ];
src = fetchPypi {
inherit pname version;
hash = "sha256-wDQoIUMqrBDpgImHeHWizYu/YkFjlxB22TaGpA8Q0Sc=";
};
pythonImportsCheck = [ "rmsd" ];
meta = with lib; {
description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates";
mainProgram = "calculate_rmsd";
homepage = "https://github.com/charnley/rmsd";
license = licenses.bsd2;
platforms = platforms.linux;
maintainers = with maintainers; [ sheepforce markuskowa ];
};
}
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