Loading pkgs/development/python-modules/rmsd/default.nix +3 −0 Original line number Diff line number Diff line Loading @@ -5,6 +5,7 @@ numpy, scipy, setuptools, pytestCheckHook, }: buildPythonPackage rec { Loading @@ -26,6 +27,8 @@ buildPythonPackage rec { pythonImportsCheck = [ "rmsd" ]; nativeCheckInputs = [ pytestCheckHook ]; meta = with lib; { description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates"; mainProgram = "calculate_rmsd"; Loading Loading
pkgs/development/python-modules/rmsd/default.nix +3 −0 Original line number Diff line number Diff line Loading @@ -5,6 +5,7 @@ numpy, scipy, setuptools, pytestCheckHook, }: buildPythonPackage rec { Loading @@ -26,6 +27,8 @@ buildPythonPackage rec { pythonImportsCheck = [ "rmsd" ]; nativeCheckInputs = [ pytestCheckHook ]; meta = with lib; { description = "Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates"; mainProgram = "calculate_rmsd"; Loading