mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-12-18 11:44:07 +00:00
30 lines
894 B
Nix
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 ];
|
|
};
|
|
}
|