pythonPackages.phonopy:init at 1.13.2.13

pkgs/development/python-modules/phonopy/default.nix

@@ -0,0 +1,27 @@
+{ stdenv, buildPythonPackage, python, fetchPypi, numpy, pyyaml, matplotlib, h5py }:
+
+buildPythonPackage rec {
+  pname = "phonopy";
+  version = "1.13.2.13";
+
+  src = fetchPypi {
+    inherit pname version;
+    sha256 = "23970ecdf698e743f9204711e8edfbb33c97667f5f88c7bda3322abbc91d0682";
+  };
+
+  propagatedBuildInputs = [ numpy pyyaml matplotlib h5py ];
+  
+  checkPhase = ''
+    cd test/phonopy
+    ${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 ];
+  };
+}
+

pkgs/top-level/python-packages.nix

@@ -348,6 +348,8 @@ in {
 
   pdfx = callPackage ../development/python-modules/pdfx { };
 
+  phonopy = callPackage ../development/python-modules/phonopy { };
+
   plantuml = callPackage ../tools/misc/plantuml { };
 
   Pmw = callPackage ../development/python-modules/Pmw { };