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