diff options
Diffstat (limited to 'nixpkgs/pkgs/development/python-modules/phonopy')
-rw-r--r-- | nixpkgs/pkgs/development/python-modules/phonopy/default.nix | 29 |
1 files changed, 29 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/development/python-modules/phonopy/default.nix b/nixpkgs/pkgs/development/python-modules/phonopy/default.nix new file mode 100644 index 000000000000..5dd4e25b6620 --- /dev/null +++ b/nixpkgs/pkgs/development/python-modules/phonopy/default.nix @@ -0,0 +1,29 @@ +{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py }: + +buildPythonPackage rec { + pname = "phonopy"; + version = "2.4.2"; + + src = fetchPypi { + inherit pname version; + sha256 = "6e6ce41ce8a51723b94d974adfee032cddce5b9300984dd23b59e101ed0a2861"; + }; + + 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 ]; + }; +} |