Adding support for aiida-atomistic

src/aiida_pseudo/groups/family/pseudo.py

@@ -315,8 +315,8 @@ def get_pseudos(
         self,
         *,
         elements: Optional[Union[List[str], Tuple[str]]] = None,
-        structure: Union[structures_classes] = None,
-    ) -> Mapping[str, Union[structures_classes]]:
+        structure: Union[structures_classes] = None, # type: ignore
+    ) -> Mapping[str, Union[structures_classes]]: # type: ignore
         """Return the mapping of kind names on pseudo potential data nodes for the given list of elements or structure.
 
         :param elements: list of element symbols.
@@ -337,6 +337,11 @@ def get_pseudos(
             raise ValueError(f'structure is of type {type(structure)} but should be of: {structures_classes}')
 
         if structure is not None:
-            return {kind.name: self.get_pseudo(kind.symbol) for kind in structure.kinds}
+            if isinstance(structure, LegacyStructureData):
+                return {kind.name: self.get_pseudo(kind.symbol) for kind in structure.kinds}
+            elif structure.properties.kind_names:
+                return {kind.kind_name: self.get_pseudo(kind.symbol) for kind in structure.kinds}
+            else:
+                return {symbol: self.get_pseudo(symbol) for symbol in structure.symbols}
 
         return {element: self.get_pseudo(element) for element in elements}

src/aiida_pseudo/groups/mixins/cutoffs.py

@@ -2,7 +2,7 @@
 import warnings
 from typing import Optional
 
-from aiida.common.exceptions import MissingEntryPointError
+from aiida.common import exceptions
 from aiida.common.lang import type_check
 from aiida.plugins import DataFactory
 
@@ -12,7 +12,7 @@
 
 try:
     StructureData = DataFactory('atomistic.structure')
-except MissingEntryPointError:
+except exceptions.MissingEntryPointError:
     structures_classes = (LegacyStructureData,)
 else:
     structures_classes = (LegacyStructureData, StructureData)
@@ -286,7 +286,7 @@ def get_recommended_cutoffs(self, *, elements=None, structure=None, stringency=N
             raise ValueError('at least one and only one of `elements` or `structure` should be defined')
 
         type_check(elements, (tuple, str), allow_none=True)
-        type_check(structure, (structures_classes), allow_none=True)
+        type_check(structure, structures_classes, allow_none=True)
 
         if unit is not None:
             self.validate_cutoffs_unit(unit)