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Problems with aiida 2.7 version #147
Description
I run crystal calculations using mpds_aiida (by yascheduler). And i am getting an error with aiida version == 2.7.
An excerpt from my script:
inputs = AiidaStructureWorkChain.get_builder()
inputs.metadata = dict(label=label)
inputs.structure = DataFactory('structure')(ase=atoms_obj)
Error description:
(base) root@alinzh3:~/projects/ab_initio_calculations# verdi process report 2134
2025-10-09 18:22:51 [1514 | REPORT]: [2134|AiidaStructureWorkChain|init_inputs]: Guessed metallic bonding; using metallic.yml as modeling template
2025-10-09 18:22:51 [1515 | REPORT]: [2134|AiidaStructureWorkChain|_run_calc_crystal]: optimise: Using structure from input
2025-10-09 18:22:52 [1516 | REPORT]: [2139|BaseCrystalWorkChain|init_inputs]: CaS530909: Geometry optimization: is_magnetic is set, guessing magnetism
2025-10-09 18:22:52 [1517 | REPORT]: [2139|BaseCrystalWorkChain|on_except]: Traceback (most recent call last):
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/process_states.py", line 250, in execute
result = await self.run_fn(*self.args, **self.kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/utils.py", line 210, in wrap
return coro_or_fn(*args, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/processes/workchains/workchain.py", line 319, in _do_step
finished, stepper_result = self._stepper.step()
^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/workchains.py", line 305, in step
finished, result = self._child_stepper.step()
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/workchains.py", line 548, in step
finished, result = self._child_stepper.step()
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/workchains.py", line 305, in step
finished, result = self._child_stepper.step()
^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/workchains.py", line 258, in step
return True, self._fn(self._workchain)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida_crystal_dft/workflows/base.py", line 152, in run_calculation
running = self.submit(process, **self.ctx.inputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/processes/process.py", line 595, in submit
return self.runner.submit(process, inputs, **kwargs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/runners.py", line 189, in submit
process_inited = self.instantiate_process(process, **inputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/runners.py", line 174, in instantiate_process
return instantiate_process(self, process, **inputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/utils.py", line 86, in instantiate_process
process = process_class(runner=runner, inputs=inputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/state_machine.py", line 205, in call
inst.transition_to(inst.create_initial_state())
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/state_machine.py", line 357, in transition_to
self.transition_failed(initial_state_label, label, *sys.exc_info()[1:])
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/processes.py", line 1095, in transition_failed
raise exception.with_traceback(trace)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/state_machine.py", line 343, in transition_to
self._enter_next_state(new_state)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/state_machine.py", line 410, in _enter_next_state
self._fire_state_event(StateEventHook.ENTERING_STATE, next_state)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/state_machine.py", line 311, in _fire_state_event
callback(self, hook, state)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/processes.py", line 358, in
state_machine.StateEventHook.ENTERING_STATE: lambda _s, _h, state: self.on_entering(
^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/processes.py", line 725, in on_entering
call_with_super_check(self.on_create)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/utils.py", line 31, in call_with_super_check
wrapped(*args, **kwargs)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/processes/process.py", line 453, in on_create
super().on_create()
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/base/utils.py", line 16, in wrapper
wrapped(self, *args, **kwargs)
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/processes.py", line 789, in on_create
result = self.spec().inputs.validate(self._parsed_inputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/plumpy/ports.py", line 665, in validate
message = self.validator(port_values_clone, self)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/engine/processes/calcjobs/calcjob.py", line 97, in validate_calc_job
scheduler = computer.get_scheduler()
^^^^^^^^^^^^^^^^^^^^^^^^
File "/root/miniconda3/envs/ml-selection/lib/python3.11/site-packages/aiida/orm/computers.py", line 629, in get_scheduler
return scheduler_class()
^^^^^^^^^^^^^^^^^
TypeError: Can't instantiate abstract class YaScheduler with abstract methods get_jobs, kill_job, submit_job
It is important to note that it works on lower versions (tested on aiida 2.5).
@akvatol @knopki please pay attention.