Add entry point for HubbardStructureData

pyproject.toml

@@ -80,6 +80,7 @@ aiida-quantumespresso = 'aiida_quantumespresso.cli:cmd_root'
 
 [project.entry-points.'aiida.data']
 'quantumespresso.force_constants' = 'aiida_quantumespresso.data.force_constants:ForceConstantsData'
+'quantumespresso.hubbard_structure' = 'aiida_quantumespresso.data.hubbard_structure:HubbardStructureData'
 
 [project.entry-points.'aiida.parsers']
 'quantumespresso.cp' = 'aiida_quantumespresso.parsers.cp:CpParser'

src/aiida_quantumespresso/calculations/__init__.py

@@ -16,6 +16,7 @@
 from qe_tools.converters import get_parameters_from_cell
 
 from aiida_quantumespresso.utils.convert import convert_input_to_namelist_entry
+from aiida_quantumespresso.data.hubbard_structure import HubbardStructureData
 
 from .base import CalcJob
 from .helpers import QEInputValidationError
@@ -680,6 +681,10 @@ def _generate_PWCPinputdata(cls, parameters, settings, pseudos, structure, kpoin
             kpoints_card = ''.join(kpoints_card_list)
             del kpoints_card_list
 
+        # HUBBARD CARD
+        hubbard_card = structure.get_quantum_espresso_hubbard_card() if isinstance(structure, HubbardStructureData) \
+            else None
+
         # =================== NAMELISTS AND CARDS ========================
         try:
             namelists_toprint = settings.pop('NAMELISTS')
@@ -723,6 +728,8 @@ def _generate_PWCPinputdata(cls, parameters, settings, pseudos, structure, kpoin
         if cls._use_kpoints:
             inputfile += kpoints_card
         inputfile += cell_parameters_card
+        if hubbard_card is not None:
+            inputfile += hubbard_card
 
         # Generate additional cards bases on input parameters and settings that are subclass specific
         tail = cls._generate_PWCP_input_tail(input_params=input_params, settings=settings)