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The pseudo is not ready when confirming step 1 #1096

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superstar54 opened this issue Jan 14, 2025 · 0 comments
Open

The pseudo is not ready when confirming step 1 #1096

superstar54 opened this issue Jan 14, 2025 · 0 comments
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automated-report bug Something isn't working

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@superstar54
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job info:

  • version: 24.10.a7
  • installation: from app store
  • reason: installation of pseudos/QE is not finished, but the step 2 is already need it.

Automated report

This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.

Additional comments (optional):

Example: I submitted a band structure calculation for Silica.

Attachments

Traceback
~/.local/lib/python3.9/site-packages/aiidalab_qe/app/configuration/advanced/pseudos/pseudos.py in _update(self, specific)
    226         self._show_loading()
    227         if not self._model.loaded_from_process or (specific and specific != "widgets"):
--> 228             self._model.update(specific)
    229         self._build_setter_widgets()
    230         self._model.update_library_options()

~/.local/lib/python3.9/site-packages/aiidalab_qe/app/configuration/advanced/pseudos/model.py in update(self, specific)
    122                 }
    123             else:
--> 124                 self.update_default_pseudos()
    125                 self.update_default_cutoffs()
    126             self.update_family_parameters()

~/.local/lib/python3.9/site-packages/aiidalab_qe/app/configuration/advanced/pseudos/model.py in update_default_pseudos(self)
    135 
    136         try:
--> 137             pseudo_family = fetch_pseudo_family_by_label(self.family)
    138             pseudos = pseudo_family.get_pseudos(structure=self.input_structure)
    139         except ValueError as exception:

~/.local/lib/python3.9/site-packages/aiidalab_qe/utils.py in fetch_pseudo_family_by_label(label)
     37 def fetch_pseudo_family_by_label(label) -> PseudoPotentialFamily:
     38     """Fetch the pseudo family by label."""
---> 39     return orm.Group.collection.get(label=label)  # type: ignore

/opt/conda/lib/python3.9/site-packages/aiida/orm/entities.py in get(self, **filters)
    135         """
    136         res = self.query(filters=filters)
--> 137         return res.one()[0]
    138 
    139     def find(

/opt/conda/lib/python3.9/site-packages/aiida/orm/querybuilder.py in one(self)
   1144             raise MultipleObjectsError('More than one result was found')
   1145         elif len(res) == 0:
-> 1146             raise NotExistent('No result was found')
   1147         return res[0]
   1148 

NotExistent: No result was found
Environment fingerprint
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_YqaaR-KOdYXG1W3779D8cEaxI=

By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.

@superstar54 superstar54 added bug Something isn't working automated-report labels Jan 14, 2025
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