aiidalab / aiidalab/aiidalab-qe
Bug report: Application crashed with ValueError
- 主要言語
- Python
- スター
- 33
- フォーク
- 25
- 平均マージ
- 6時間 7分
- マージ済み PR(30日)
- 8
説明
## 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
```python-traceback
~/.local/lib/python3.9/site-packages/aiida_quantumespresso/workflows/pw/relax.py in get_builder_from_protocol(cls, code, structure, protocol, overrides, relax_type, options, **kwargs)
125
126 args = (code, structure, protocol)
--> 127 base = PwBaseWorkChain.get_builder_from_protocol(
128 *args, overrides=inputs.get('base', None), options=options, **kwargs
129 )
~/.local/lib/python3.9/site-packages/aiida_quantumespresso/workflows/pw/base.py in get_builder_from_protocol(cls, code, structure, protocol, overrides, electronic_type, spin_type, initial_magnetic_moments, options, **_)
300 builder.pw['structure'] = structure
301 builder.pw['parameters'] = orm.Dict(parameters)
--> 302 builder.pw['metadata'] = metadata
303 if 'settings' in inputs['pw']:
304 builder.pw['settings'] = orm.Dict(inputs['pw']['settings'])
/opt/conda/lib/python3.9/site-packages/aiida/engine/processes/builder.py in __setitem__(self, item, value)
151
152 def __setitem__(self, item, value):
--> 153 self.__setattr__(item, value)
154
155 def __delitem__(self, item):
/opt/conda/lib/python3.9/site-packages/aiida/engine/processes/builder.py in __setattr__(self, attr, value)
119 validation_error = port.validate(value) # type: ignore[union-attr]
120 if validation_error:
--> 121 raise ValueError(f'invalid attribute value {validation_error.message}')
122
123 # If the attribute that is being set corresponds to a port that is a ``PortNamespace`` we need to make sure
ValueError: invalid attribute value required value was not provided for 'resources'
```
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.**
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