{ buildPythonPackage , lib , fetchFromGitLab , python , numpy , scipy , periodictable , fields }: buildPythonPackage rec { pname = "polarizationsolver"; version = "unstable-2021-11-02"; src = fetchFromGitLab { owner = "reinholdt"; repo = pname; rev = "00424ac4d1862257a55e4b16543f63ace3fe8c22"; hash = "sha256-LACf8Xw+o/uJ3+PD/DE/o7nwKY7fv3NyYbpjCrTTnBU="; }; # setup.py states version="dev", which is not a valid version string for setuptools # There has never been a formal stable release, so let's say 0.0 here. postPatch = '' substituteInPlace ./setup.py --replace 'version="dev",' 'version="0.0",' ''; propagatedBuildInputs = [ numpy periodictable scipy ]; nativeCheckInputs = [ fields ]; pythonImportsCheck = [ "polarizationsolver" ]; meta = with lib; { description = "Multipole moment solver for quantum chemistry and polarisable embedding"; homepage = "https://gitlab.com/reinholdt/polarizationsolver"; license = licenses.gpl3Plus; maintainers = [ maintainers.sheepforce ]; }; }