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 ];
+  };
+}