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{ 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";
sha256 = "sha256-LACf8Xw+o/uJ3+PD/DE/o7nwKY7fv3NyYbpjCrTTnBU=";
};
propagatedBuildInputs = [
numpy
periodictable
scipy
];
checkInputs = [ 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 ];
};
}
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