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XPS: Application crashed with KeyError #1070

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superstar54 opened this issue Jan 10, 2025 · 0 comments · Fixed by #1071
Closed

XPS: Application crashed with KeyError #1070

superstar54 opened this issue Jan 10, 2025 · 0 comments · Fixed by #1071
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automated-report bug Something isn't working

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@superstar54
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Calculation info:

  • system: Si
  • relax: none
  • properties: xps only

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
KeyError                                  Traceback (most recent call last)
~/apps/aiidalab-qe/src/aiidalab_qe/app/submission/__init__.py in submit(self, _)
    185 
    186     def submit(self, _=None):
--> 187         self._model.confirm()
    188 
    189     def reset(self):

~/apps/aiidalab-qe/src/aiidalab_qe/app/submission/model.py in confirm(self)
     85         super().confirm()
     86         if not self.process_node:
---> 87             self._submit()
     88 
     89     def update(self):

~/apps/aiidalab-qe/src/aiidalab_qe/app/submission/model.py in _submit(self)
    231     def _submit(self):
    232         parameters = self.get_model_state()
--> 233         builder = self._create_builder(parameters)
    234 
    235         with self.hold_trait_notifications():

~/apps/aiidalab-qe/src/aiidalab_qe/app/submission/model.py in _create_builder(self, parameters)
    273 
    274     def _create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 275         builder = QeAppWorkChain.get_builder_from_protocol(
    276             structure=self.input_structure,
    277             parameters=deepcopy(parameters),  # TODO why deepcopy again?

~/apps/aiidalab-qe/src/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
    214             if name in properties:
    215                 plugin_builder = entry_point["get_builder"](
--> 216                     codes[name]["codes"],
    217                     builder.structure,
    218                     copy.deepcopy(parameters),

KeyError: 'xps'
Environment fingerprint
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9CMTrjnIAE0YHWRPf2cPq70M2Ycs-
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9uN8np0FlpLcNsCT6pldXfpepKfjTt2ypw92dQ3GyX2OSidciN6WpsgArR5mGwUAk8e-IL2sjqEQRGFLVNwfWMGqyAA1WPNqOevq
kqfumzcZMOcVwT35ggHorNaxhLux8FiGSNSVPWyLKstos-
iOcCz0cEZxSRrut10_YlCrIgaGg1SdyxPgdwIxGtmdEkyptIYjIEFRmiDaW0iNDWK4qJzNmqx3kruCcIWi4j23HxE-IGsQMEAOlg
RYhqrxAQGIdXuJBSKGwylk6oFY6w59VGJbqPWnVSgTHOkTEp20CHrYIzy5HRdMjjyPFw767CmtOqZ8mEchO6cBN0qypfNZIsMZTc
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YKx7PmgbPCt0Kn5ZHZGT7x6IomHKZkAA-pCSi79v2wiu8p6xUuGC49TjTV6kDF5rCSHshDxv2kHZ-
Kx13er18IBgrEP2u4_Igv2rs--
luIVqVOp_cYClwAQ0ypKKRxbTHfuHQLOHr9Cy7z3-mOaVAUys0b_VqppSgXWNo1lDqR04_HeQe1ZO6n8XiS1jfHvTcI-
v_obnQQk1e-ryFDh81P5thxC3xepm-_P5rWlok05Sk3iDR1RXAJE-kSpEyJBBXjEAB78XhAwe9Ax8bnLleD7FueWsCXJ8pZhvMt0
YMdn7iEPsX8rm950fFN_IoQ04L5F5cxOdnqU6AY2fzOHuAo53HYEtb18PAI1-nZ9HbnkevSm3vp2F2G8-Rs2gkDSNWhbQKBweitU
izCSo9P_EmbrwurtZZ7MdlTbATMuAAeBKS34jwPWo4G0YxRt3gZAvsXUmvHzYaER49uLscIqU_hDVuupvlk3RhxBkjdSvMixvrZN
Row2hGfk3LNRmfQfgd787kgvJkZIc_FNK0srlNK2_Uy6B8fO1EqmuZvb__B-mooMc=

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 10, 2025
@superstar54 superstar54 linked a pull request Jan 10, 2025 that will close this issue
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