Adding support for aiida-atomistic#200
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- in pseudo and cutoff we introduce the naming `LegacyStructureData` for th `orm.StructureData`. - two additional tests, triggered only when we have atomistic installed (`HA` is `True`). Improving conditionals logic for has_atomistic try to load the entry point atomistic.structure, otherwise we fallback into LegacyStructureData (MissingEntryPointError). Adding support also in case no kinds are defined.
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LegacyStructureDatafor thorm.StructureData.HAisTrue).Improving conditionals logic for has_atomistic
try to load the entry point atomistic.structure,
otherwise we fallback into LegacyStructureData (MissingEntryPointError).
Adding support also in case no kinds are defined.