Add m_package.__init_metainfo__()

electronicparsers/abinit/metainfo/abinit.py

@@ -869,3 +869,6 @@ class x_abinit_section_dataset(abinit_autogenerated.x_abinit_section_dataset):
     x_abinit_section_dataset_header = SubSection(
         sub_section=x_abinit_section_dataset_header.m_def, repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/abinit/metainfo/abinit_autogenerated.py

@@ -6792,3 +6792,6 @@ class Run(runschema.run.Run):
     x_abinit_section_dataset = SubSection(
         sub_section=x_abinit_section_dataset.m_def, repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/ams/metainfo/ams.py

@@ -767,3 +767,6 @@ class KMesh(runschema.method.KMesh):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/atk/metainfo/atk.py

@@ -69,3 +69,6 @@ class Method(method.Method):
         Monkhorstpack grid sampling
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/castep/metainfo/castep.py

@@ -2479,3 +2479,6 @@ class BandStructure(runschema.calculation.BandStructure):
     x_castep_section_k_points = SubSection(
         sub_section=SectionProxy('x_castep_section_k_points'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/charmm/metainfo/charmm.py

@@ -1929,3 +1929,6 @@ class Calculation(runschema.calculation.Calculation):
         sub_section=SectionProxy('x_charmm_section_single_configuration_calculation'),
         repeats=True,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/cp2k/metainfo/cp2k.py

@@ -59183,3 +59183,6 @@ class Run(runschema.run.Run):
     x_cp2k_section_input = SubSection(
         sub_section=SectionProxy('x_cp2k_section_input'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/cpmd/metainfo/cpmd.py

@@ -10731,3 +10731,6 @@ class Run(runschema.run.Run):
     x_cpmd_section_input = SubSection(
         sub_section=SectionProxy('x_cpmd_section_input'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/dmol3/metainfo/dmol3.py

@@ -662,3 +662,6 @@ class VibrationalFrequencies(runschema.calculation.VibrationalFrequencies):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/edmft/metainfo/edmft.py

@@ -94,3 +94,6 @@ class GreensFunctions(runschema.calculation.GreensFunctions):
         where s_oo is the parsed function.
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/elk/metainfo/elk.py

@@ -773,3 +773,6 @@ class Calculation(runschema.calculation.Calculation):
         Estimated fundamental indirect gap final
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/exciting/metainfo/exciting.py

@@ -2940,3 +2940,6 @@ class Run(runschema.run.Run):
         sub_section=SectionProxy('x_exciting_section_geometry_optimization'),
         repeats=True,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/fleur/metainfo/fleur.py

@@ -621,3 +621,6 @@ class BaseCalculation(runschema.calculation.BaseCalculation):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/fplo/metainfo/fplo.py

@@ -186,3 +186,5 @@ class Method(runschema.method.Method):
 #         description='''
 #         FPLO: Atom/Orbital dependent DFT+U property: value F6
 #         ''')
+
+m_package.__init_metainfo__()

electronicparsers/fplo/metainfo/fplo_input_autogenerated.py

@@ -2742,3 +2742,6 @@ class Method(runschema.method.Method):
     m_def = Section(validate=False)
 
     x_fplo_in = SubSection(sub_section=SectionProxy('x_fplo_in'), repeats=True)
+
+
+m_package.__init_metainfo__()

electronicparsers/fplo/metainfo/fplo_temporaries.py

@@ -317,3 +317,6 @@ class ScfIteration(runschema.calculation.ScfIteration):
         Temporary storage for FPLO Fermi energy in iteration
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/gamess/metainfo/gamess.py

@@ -835,3 +835,6 @@ class Energy(runschema.calculation.Energy):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/gaussian/metainfo/gaussian.py

@@ -1705,3 +1705,6 @@ class Method(runschema.method.Method):
         sub_section=SectionProxy('x_gaussian_section_elstruc_method'),
         repeats=True,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/gpaw/metainfo/gpaw.py

@@ -212,3 +212,6 @@ class Method(runschema.method.Method):
     x_gpaw_section_paw_method = SubSection(
         sub_section=SectionProxy('x_gpaw_section_paw_method'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/magres/metainfo/magres.py

@@ -108,3 +108,6 @@ class SpinSpinCoupling(BaseSpinSpinCoupling):
         on the list `System.atoms.labels`.
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/molcas/metainfo/molcas.py

@@ -149,3 +149,6 @@ class Calculation(runschema.calculation.Calculation):
     x_molcas_section_frequency = SubSection(
         sub_section=SectionProxy('x_molcas_section_frequency'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/mopac/metainfo/mopac.py

@@ -77,3 +77,6 @@ class Method(runschema.method.Method):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/nwchem/metainfo/nwchem.py

@@ -485,3 +485,6 @@ class System(runschema.system.System):
         The lattice omega value.
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/ocean/metainfo/ocean.py

@@ -408,3 +408,6 @@ class Program(runschema.run.Program):
         DFT code (QuantumESPRESSO or ABINIT) used in the initial step.
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/octopus/metainfo/octopus.py

@@ -69,3 +69,6 @@ class Run(runschema.run.Run):
         octopus svn revision
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/octopus/metainfo/octopus_autogenerated.py

@@ -11645,3 +11645,6 @@ class Run(runschema.run.Run):
         """,
         categories=[x_octopus_parserlog],
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/onetep/metainfo/onetep.py

@@ -3441,3 +3441,6 @@ class AtomParameters(runschema.method.AtomParameters):
         Temporary storing atom name
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/orca/metainfo/orca.py

@@ -1446,3 +1446,6 @@ class Run(runschema.run.Run):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/psi4/metainfo/psi4.py

@@ -370,3 +370,6 @@ class Calculation(runschema.calculation.Calculation):
     x_psi4_root_information = SubSection(
         sub_section=x_psi4_root_information.m_def, repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/qball/metainfo/qball.py

@@ -25,3 +25,5 @@
 
 
 m_package = Package()
+
+m_package.__init_metainfo__()

electronicparsers/qbox/metainfo/qbox.py

@@ -488,3 +488,6 @@ class Energy(runschema.calculation.Energy):
     x_qbox_efield = SubSection(sub_section=runschema.calculation.EnergyEntry.m_def)
 
     x_qbox_enthalpy = SubSection(sub_section=runschema.calculation.EnergyEntry.m_def)
+
+
+m_package.__init_metainfo__()

electronicparsers/siesta/metainfo/siesta.py

@@ -139,3 +139,6 @@ class Method(runschema.method.Method):
         description="""
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/siesta/metainfo/siesta_autogenerated.py

@@ -3363,3 +3363,6 @@ class Method(runschema.method.Method):
     x_siesta_section_input = SubSection(
         sub_section=SectionProxy('x_siesta_section_input'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/soliddmft/metainfo/soliddmft.py

@@ -272,3 +272,6 @@ class ScfIteration(runschema.calculation.ScfIteration):
     x_soliddmft_observables = SubSection(
         sub_section=x_soliddmft_observables_parameters.m_def, repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/tbstudio/metainfo/tbstudio.py

@@ -32,3 +32,5 @@
 
 
 m_package = Package()
+
+m_package.__init_metainfo__()

electronicparsers/turbomole/metainfo/turbomole.py

@@ -725,3 +725,6 @@ class System(runschema.system.System):
         Multipole precision parameter for PCEEM embedding
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/vasp/metainfo/vasp.py

@@ -167,3 +167,6 @@ class GW(runschema.method.GW):
         Input parameters used in the "response functions".
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/vasp/metainfo/vasp_incars.py

@@ -3426,3 +3426,6 @@ class Method(runschema.method.Method):
         """,
         categories=[x_vasp_incar_param],
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/vasp/metainfo/vasp_incarsOut.py

@@ -3426,3 +3426,6 @@ class Method(runschema.method.Method):
         """,
         categories=[x_vasp_incarOut_param],
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/vasp/metainfo/vasp_incarsUnknown.py

@@ -84,3 +84,6 @@ class Method(runschema.method.Method):
         """,
         categories=[vasp_incarsOut.x_vasp_incarOut_param],
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/w2dynamics/metainfo/w2dynamics.py

@@ -1268,3 +1268,6 @@ class Run(runschema.run.Run):
     x_w2dynamics_axes = SubSection(sub_section=x_w2dynamics_axes.m_def, repeats=False)
 
     # TODO add config, environment variables
+
+
+m_package.__init_metainfo__()

electronicparsers/wannier90/metainfo/wannier90.py

@@ -54,3 +54,6 @@ class Run(runschema.run.Run):
         Bohr, respectively. The default value is Ang.
         """,
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/wien2k/metainfo/wien2k.py

@@ -781,3 +781,6 @@ class Method(runschema.method.Method):
     x_wien2k_section_XC = SubSection(
         sub_section=SectionProxy('x_wien2k_section_XC'), repeats=True
     )
+
+
+m_package.__init_metainfo__()

electronicparsers/wien2k/parser.py

@@ -1127,18 +1127,20 @@ def parse_method(self):
                         atom_obj = AtomParameters()
                         atom_obj.atom_index = atom_index
                         atom_obj.core_hole = CoreHole(
-                            j_quantum_number = j_quantum_number,
-                            l_quantum_number = l_quantum_number,
-                            n_quantum_number = n_quantum_number,
-                            n_electrons_excited = electrons_excited,
-                            occupation = occupancy,
-                            dscf_state = 'final',
+                            j_quantum_number=j_quantum_number,
+                            l_quantum_number=l_quantum_number,
+                            n_quantum_number=n_quantum_number,
+                            n_electrons_excited=electrons_excited,
+                            occupation=occupancy,
+                            dscf_state='final',
                         )
                         atom_par.append(atom_obj)
                         break
         else:
-            self.logger.warning("inc file is missing, no corehole information "
-                                "will be parsed if corehole present.")
+            self.logger.warning(
+                'inc file is missing, no corehole information '
+                'will be parsed if corehole present.'
+            )
         # basis
         if self.in1_parser.mainfile:
             self.in1_parser.parse()

electronicparsers/yambo/metainfo/yambo.py

@@ -575,3 +575,6 @@ class Method(runschema.method.Method):
     x_yambo_dipoles = SubSection(sub_section=x_yambo_dipoles.m_def, repeats=True)
 
     x_yambo_dyson = SubSection(sub_section=x_yambo_dyson.m_def, repeats=True)
+
+
+m_package.__init_metainfo__()