aiidalab / aiidalab/aiidalab-qe

Submission calculation failure

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bug
Dominant language
Python
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33
Forks
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Avg merge
6h 7m
Merged PRs (30d)
8

Description

```python
---------------------------------------------------------------------------
AttributeError Traceback (most recent call last)
~/apps/quantum-espresso/src/aiidalab_qe/common/wizard.py in confirm(self, _)
169
170 def confirm(self, _=None):
--> 171 self._model.confirm()
172
173 def _enable_confirm_button(self):

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in confirm(self)
64 super().confirm()
65 if not self.has_process:
---> 66 self._submit()
67
68 def update(self):

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _submit(self)
183 def _submit(self):
184 parameters = self.get_model_state()
--> 185 builder = self._create_builder(parameters)
186
187 with self.hold_trait_notifications():

~/apps/quantum-espresso/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
222
223 def _create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 224 builder = QeAppWorkChain.get_builder_from_protocol(
225 structure=self.input_structure,
226 # Use shallow copy to avoid parameter mutation by the workflow

~/apps/quantum-espresso/src/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
202 **kwargs,
203 )
--> 204 enable_pencil_decomposition(relax_builder.base.pw)
205 # pop the inputs that are excluded from the expose_inputs
206 relax_builder.pop("structure", None)

AttributeError: 'ProcessBuilder-f2babe15-613f-4f36-a075-9907b8cbea9' object has no attribute 'base'
```

When trying to submit a calculation in the main branch this bug appears,

The Quantum espresso version is 4.12.1

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