nixpkgs/pkgs/development/python-modules/rmsd/default.nix
2024-11-29 06:01:41 +00:00

34 lines
703 B
Nix

{
buildPythonPackage,
lib,
fetchPypi,
scipy,
}:
buildPythonPackage rec {
pname = "rmsd";
version = "1.6.0";
format = "setuptools";
propagatedBuildInputs = [ scipy ];
src = fetchPypi {
inherit pname version;
hash = "sha256-9bALeHmdw6OJGxp3aabkDfCxo4fGv2etKzpBDhmZOrI=";
};
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
];
};
}