nixpkgs/pkgs/development/python-modules/phonopy/default.nix
2020-09-02 16:20:57 -07:00

30 lines
849 B
Nix

{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py, spglib, pytestCheckHook }:
buildPythonPackage rec {
pname = "phonopy";
version = "2.7.1";
src = fetchPypi {
inherit pname version;
sha256 = "482c6ff29c058d091ac885e561e28ba3e516ea9e91c44a951cad11f3ae19856c";
};
propagatedBuildInputs = [ numpy pyyaml matplotlib h5py spglib ];
checkInputs = [ pytestCheckHook ];
# flakey due to floating point inaccuracy
disabledTests = [ "test_NaCl" ];
# prevent pytest from importing local directory
preCheck = ''
rm -r phonopy
'';
meta = with stdenv.lib; {
description = "A package for phonon calculations at harmonic and quasi-harmonic levels";
homepage = "https://atztogo.github.io/phonopy/";
license = licenses.bsd0;
maintainers = with maintainers; [ psyanticy ];
};
}