meta 2.0 changes

parser/parser-quasi-harmonic-properties/qhp.py

@@ -24,7 +24,7 @@ from phonopy.units import EvTokJmol, Kb as kBoltzmann
 
 parser_info = {"name": "parser_quasi_harmonic_properties", "version": "1.0"}
 
-path = "../../../../nomad-meta-info/meta_info/nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json"
+path = "../../../../nomad-meta-info/meta_info/nomad_meta_info/quasi_harmonic_properties.nomadmetainfo.json"
 metaInfoPath = os.path.normpath(
     os.path.join(os.path.dirname(os.path.abspath(__file__)), path))
 metaInfoEnv, warns = loadJsonFile(filePath=metaInfoPath,
@@ -53,7 +53,7 @@ def parse(name):
     Parse.startedParsingSession(name, parser_info)
     sRun = Parse.openSection("section_run")
     system = Parse.openSection("section_system")
-    Parse.addValue("x_qhp_space_group_3D_number", spacegroup)
+    Parse.addValue("x_qhp_space_group_3d_number", spacegroup)
     Parse.addValue("x_qhp_formula", material)
     Parse.closeSection("section_system", system)
     results = Parse.openSection("section_single_configuration_calculation")
@@ -63,10 +63,10 @@ def parse(name):
     #Parse.closeSection("section_calculation_to_calculation_refs", fref)
     prep_ref(Phonon_path, Static_path, Parse, "source_phonon_calculations", "source_static_calculations")
     frameSeq = Parse.openSection("section_frame_sequence")
-    Parse.addArrayValues("frame_sequence_local_frames_ref", np.array([results]))
+    Parse.addArrayValues("frame_sequence_to_frames_ref", np.array([results]))
     sTD = Parse.openSection("section_thermodynamical_properties")
     Parse.addArrayValues("thermodynamical_property_temperature", T)
-    Parse.addArrayValues("thermodynamical_property_heat_capacity_C_v", cV)
+    Parse.addArrayValues("thermodynamical_property_heat_capacity_c_v", cV)
     Parse.addArrayValues("x_qhp_quasi_harmonic_free_energy", Free)
     Parse.addArrayValues("x_qhp_quasi_harmonic_bulk_modulus", B)
     Parse.addArrayValues("x_qhp_quasi_harmonic_volume", V)

src/main/scala/eu/nomad_lab/parsers/QuasiharmonicParser.scala

@@ -47,8 +47,8 @@ object QhpParser extends SimpleExternalParserGenerator(
     "parser-quasi-harmonic-properties/setup_paths.py",
     "nomad_meta_info/public.nomadmetainfo.json",
     "nomad_meta_info/common.nomadmetainfo.json",
-    "nomad_meta_info/meta_types.nomadmetainfo.json",
-    "nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json"
+    "nomad_meta_info/meta.nomadmetainfo.json",
+    "nomad_meta_info/quasi_harmonic_properties.nomadmetainfo.json"
   ) ++ DefaultPythonInterpreter.commonFiles(),
   dirMap = Map(
     "parser-quasi-harmonic-properties" -> "parsers/quasi-harmonic-properties/parser/parser-quasi-harmonic-properties",