QE: Add `verification-pbe-v1` protocol

[mbercx]

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Add the verification-pbe-v1 protocol for Quantum ESPRESSO by adding a new protocol.yml file to the relax subpackage. In order to use this protocol without the aiida-quantumespresso PwRelaxWorkChain.get_builder_from_protocol() method failing, we check if the user specified protocol is in the defaults (fast, moderate, precise). If not, we try to load it from the local protocols encoded in the aiida-common-workflows package.

Also adds the clean_workdir input to the QuantumEspressoCommonRelaxInputGenerator.

[mbercx]

I've also added the recursive merge code that is recommended in the acwf scripts. Not sure if there was a reason this wasn't added yet, @giovannipizzi?

[giovannipizzi]

Thanks! For the recursive merge, I've been using it for QE, but this can/will change the behaviour for other plugins and I'm a bit hesitant of introducing it here, as it might break other plugins :-( We didn't add it also because with @bosonie we are preparing a new way of overriding defaults - we had however to delay the work to prioritise the verification work. Would it be OK not to add that code here, so we can merge the rest, and we make a separate PR to discuss whether we should merge the recursive-update or not?

Also, can you also contribute the get_ts_energy function, following the example API provided by siesta here?

[mbercx]

@giovannipizzi there you go! Should be ready for review now

[mbercx]

@sphuber do you see what's going wrong here? These cyclic imports confuse me 🤔

[sphuber]

I think this is probably due to the imports in aiida_common_workflows.workflows.relax.quantum_espresso.__init__py. Just add a pylint: disable=cyclic-import there. Code is still working.

[bosonie]

@mbercx, would you mind to finish this up when you have a second? Thanks!!

[bosonie]

Hola @mbercx, what is the status of this?

[mbercx]

@bosonie lo siento, tio! Have been busy weeks. Today is the AiiDA webinar, but I'll try to give the common workflows some love tomorrow.