dev-cpp/nlohmann_json
dev-libs/pugixml

hdf5?
      ( sci-libs/hdf5:= )

qt6?
      ( >=sci-chemistry/openbabel-3.1.1_p20241221:=[json] dev-qt/qtbase:6[concurrent,gui,network,opengl,widgets] dev-qt/qtsvg:6 media-libs/glew:0= virtual/opengl archive?
            ( app-arch/libarchive:= )
       )

spglib?
      ( >=sci-libs/spglib-2.6.0:= )

vtk?
      ( sci-libs/vtk:=[qt6,views] )