nixpkgs/pkgs/development/python-modules/phonopy/default.nix
2019-10-27 16:26:48 +01:00

30 lines
894 B
Nix

{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py }:
buildPythonPackage rec {
pname = "phonopy";
version = "2.3.2.post11";
src = fetchPypi {
inherit pname version;
sha256 = "4b4ef1c11bafa161a409ad018cbf8469aacd42fc77fd954442760161f63dd345";
};
propagatedBuildInputs = [ numpy pyyaml matplotlib h5py ];
checkPhase = ''
cd test
# dynamic structure factor test ocassionally fails do to roundoff
# see issue https://github.com/atztogo/phonopy/issues/79
rm spectrum/test_dynamic_structure_factor.py
${python.interpreter} -m unittest discover -b
cd ../..
'';
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 ];
};
}