Problems on AiiDA v2.5.1

$ verdi process report 129
2024-05-23 14:46:56 [10 | REPORT]: [129|MPDSStructureWorkChain|init_inputs]: Guessed nonmetallic bonding; using nonmetallic.yml as modeling template
2024-05-23 14:46:56 [11 | REPORT]: [129|MPDSStructureWorkChain|_run_calc_crystal]: optimise: Using structure from input
2024-05-23 14:46:58 [12 | REPORT]:   [135|BaseCrystalWorkChain|init_inputs]: MgO/225: Geometry optimization: is_magnetic is set, guessing magnetism
2024-05-23 14:47:04 [14 | REPORT]: [129|MPDSStructureWorkChain|on_except]: Traceback (most recent call last):
  File "/usr/local/lib/python3.11/dist-packages/aiida/orm/utils/managers.py", line 87, in _get_node_by_link_label
    node = attribute_dict[label]
           ~~~~~~~~~~~~~~^^^^^^^
KeyError: 'output_structure'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/usr/local/lib/python3.11/dist-packages/aiida/orm/utils/managers.py", line 132, in __getattr__
    return self._get_node_by_link_label(label=name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/aiida/orm/utils/managers.py", line 115, in _get_node_by_link_label
    raise NotExistent from exception
aiida.common.exceptions.NotExistent

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/usr/local/lib/python3.11/dist-packages/plumpy/process_states.py", line 228, in execute
    result = self.run_fn(*self.args, **self.kwargs)
             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/aiida/engine/processes/workchains/workchain.py", line 313, in _do_step
    finished, stepper_result = self._stepper.step()
                               ^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 295, in step
    finished, result = self._child_stepper.step()
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 538, in step
    finished, result = self._child_stepper.step()
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 295, in step
    finished, result = self._child_stepper.step()
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 438, in step
    finished, retval = self._child_stepper.step()
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 295, in step
    finished, result = self._child_stepper.step()
                       ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/plumpy/workchains.py", line 246, in step
    return True, self._fn(self._workchain)
                 ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/mpds_aiida/workflows/crystal.py", line 283, in check_and_get_results
    self.ctx.optimized_structure = calc.outputs.output_structure
                                   ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/local/lib/python3.11/dist-packages/aiida/orm/utils/managers.py", line 138, in __getattr__
    raise NotExistentAttributeError(
aiida.common.exceptions.NotExistentAttributeError: Node<135> does not have an output with link label 'output_structure'
In addition, there are also problems with verdi data crystal_dft uploadfamily --name=XXX and verdi data crystal_dft listfamilies as XXX does not show up after upload.
tilde-lab / aiida-crystal-dft

Problems on AiiDA v2.5.1 #68
