Bug report: Application crashed with ValueError

[jhmarkna]

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/submission/model.py in _create_builder(self, parameters)
    315 
    316     def _create_builder(self, parameters) -> ProcessBuilderNamespace:
--> 317         builder = QeAppWorkChain.get_builder_from_protocol(
    318             structure=self.input_structure,
    319             parameters=deepcopy(parameters),  # TODO why deepcopy again?

~/.local/lib/python3.9/site-packages/aiidalab_qe/workflows/__init__.py in get_builder_from_protocol(cls, structure, parameters, **kwargs)
    201         for name, entry_point in plugin_entries.items():
    202             if name in properties:
--> 203                 plugin_builder = entry_point["get_builder"](
    204                     codes, builder.structure, copy.deepcopy(parameters), **kwargs
    205                 )

~/.local/lib/python3.9/site-packages/aiidalab_qe/plugins/xas/workchain.py in get_builder(codes, structure, parameters, **kwargs)
     95     overrides["core"]["scf"]["pw"]["parameters"]["SYSTEM"]["vdw_corr"] = "none"
     96 
---> 97     builder = XspectraCrystalWorkChain.get_builder_from_protocol(
     98         pw_code=pw_code,
     99         xs_code=xs_code,

/opt/conda/lib/python3.9/site-packages/aiida_quantumespresso/workflows/xspectra/crystal.py in get_builder_from_protocol(cls, pw_code, xs_code, structure, pseudos, upf2plotcore_code, core_wfc_data, core_hole_treatments, protocol, overrides, elements_list, options, **kwargs)
    363             builder.upf2plotcore_code = upf2plotcore_code
    364         else:
--> 365             raise ValueError(
    366                 'No code node for upf2plotcore.sh or core wavefunction data were provided.'
    367             )

ValueError: No code node for upf2plotcore.sh or core wavefunction data were provided.

Environment fingerprint

eNpdjs1OwzAQhF_FWq6N5b8ixTfU9sAhVQTpASEUOanbWE1tsB0iVOXdcSNBEced-WZnLvCpfTDOgqQLeO9VPDh_BnkB5dvORN3G
wWuQr3AvGhNhAfCWuK_YOVv_RoHjHFOe3Jt0t2TZrhlsHNBzUaLyabMpyqpev2wfiscVqroBrXWL0BJRLkkuhUC7aoUYYQKmVKHa
kzrqME8xZq-yUVlrtM9Jes4wwyTV_XOy0fnToXdjmBl-Y3rV1B_6qgpMCSZK_HVGsz_qGOpGBf2TVOxKzDfHjGEK0_QNRfBa8Q==

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.