diff --git a/src/aiida_wannier90_workflows/workflows/projwfcbands.py b/src/aiida_wannier90_workflows/workflows/projwfcbands.py index 3117321..6ffa548 100644 --- a/src/aiida_wannier90_workflows/workflows/projwfcbands.py +++ b/src/aiida_wannier90_workflows/workflows/projwfcbands.py @@ -107,7 +107,6 @@ def get_builder_from_protocol( # pylint: disable=arguments-differ """ from aiida_wannier90_workflows.utils.workflows.builder.submit import ( recursive_merge_builder, - recursive_merge_container, ) type_check(pw_code, (str, int, orm.Code)) @@ -123,39 +122,26 @@ def get_builder_from_protocol( # pylint: disable=arguments-differ protocol=protocol, overrides=overrides ) - projwfc_overrides = None - if overrides: - projwfc_overrides = overrides.pop("projwfc", None) + projwfc_overrides = protocol_inputs.pop("projwfc", None) pwbands_builder = PwBandsWorkChain.get_builder_from_protocol( code=pw_code, structure=structure, protocol=protocol, - overrides=overrides, + overrides=protocol_inputs, **kwargs, ) # By default do not run relax pwbands_builder.pop("relax", None) - inputs = pwbands_builder._inputs(prune=True) # pylint: disable=protected-access projwfc_builder = ProjwfcBaseWorkChain.get_builder_from_protocol( projwfc_code, protocol=protocol, overrides=projwfc_overrides ) + projwfc_builder.pop("clean_workdir", None) - inputs["projwfc"] = projwfc_builder._inputs( # pylint: disable=protected-access - prune=True - ) - inputs["projwfc"].pop("clean_workdir", None) - - # Need to convert `clean_workdir` to `orm.Bool` - if "clean_workdir" in protocol_inputs: - protocol_inputs["clean_workdir"] = orm.Bool( - protocol_inputs["clean_workdir"] - ) - - inputs = recursive_merge_container(inputs, protocol_inputs) - builder = recursive_merge_builder(builder, inputs) + builder.projwfc = projwfc_builder + builder = recursive_merge_builder(builder, pwbands_builder) return builder