pyrox.dev
1{
2 buildPythonPackage,
3 lib,
4 fetchPypi,
5 scipy,
6}:
7
8buildPythonPackage rec {
9 pname = "rmsd";
10 version = "1.5.1";
11 format = "setuptools";
12
13 propagatedBuildInputs = [ scipy ];
14
15 src = fetchPypi {
16 inherit pname version;
17 hash = "sha256-wDQoIUMqrBDpgImHeHWizYu/YkFjlxB22TaGpA8Q0Sc=";
18 };
19
20 pythonImportsCheck = [ "rmsd" ];
21
22 meta = with lib; {
23 description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates";
24 mainProgram = "calculate_rmsd";
25 homepage = "https://github.com/charnley/rmsd";
26 license = licenses.bsd2;
27 platforms = platforms.linux;
28 maintainers = with maintainers; [
29 sheepforce
30 markuskowa
31 ];
32 };
33}