Bug report: Application crashed with ValueError

[cpignedoli]

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):

I was submitting a calculation for a molecule from the AiiDA database.
PBE0, multiplicity 2 for a Mn containing molecule.
The problem occurs when using a molecule from AiiDA database. If the molecule is e.g. imported from computer it works

Attachments

Traceback

ValueError                                Traceback (most recent call last)
~/.local/lib/python3.7/site-packages/aiidalab_widgets_base/process.py in on_btn_submit_press(self, _)
    144             self.submit_out.value = ""
    145 
--> 146         inputs = self.inputs_generator()
    147         if inputs is None:
    148             if self.append_output:

~/apps/empa-molecules/empa_molecules/steps.py in prepare_spin_calc(self)
    316         # Input nodes.
    317         for key, value in self.inputs.items():
--> 318             builder[key] = value
    319 
    320         # Codes.

/opt/conda/lib/python3.7/site-packages/aiida/engine/processes/builder.py in __setitem__(self, item, value)
    124 
    125     def __setitem__(self, item, value):
--> 126         self.__setattr__(item, value)
    127 
    128     def __delitem__(self, item):

/opt/conda/lib/python3.7/site-packages/aiida/engine/processes/builder.py in __setattr__(self, attr, value)
     92                 validation_error = port.validate(value)
     93                 if validation_error:
---> 94                     raise ValueError(f'invalid attribute value {validation_error.message}')
     95 
     96             # If the attribute that is being set corresponds to a port that is a ``PortNamespace`` we need to make sure

ValueError: invalid attribute value value 'structure' is not of the right type. Got '<class 'NoneType'>', expected '<class 'aiida.orm.nodes.data.structure.StructureData'>'

Environment fingerprint

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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.