PythonJob supports list of AiiDA node as output

[superstar54]

It would be very helpful (user-friendly) for PythonJob to support a list of AiiDA nodes as the output. In order to do that:

• When parsing the list output, give a special name as the key, list_data_{i}
• When preparing the submission, if the key of a dict item starts with list_data_, we assume that this should convert to a list.

Note that this will be handled internally by the PythonJob, so the user will not be aware of this.

Use the example of EOS from @mbercx ,

from aiida_workgraph import task, WorkGraph
from ase import Atoms
from ase.build import bulk

@task.pythonjob(outputs=[{"name": "structure_lst", "identifier": "Namespace"}])
def generate_structures(structure: Atoms, factor_lst: list) -> list[Atoms]:
    structure_lst = []
    for factor in factor_lst:
        structure_strain = structure.copy()
        structure_strain.set_cell(
            structure_strain.cell * factor,
            scale_atoms=True
        )
        structure_lst.append(structure_strain)
    return structure_lst

# user can also decorate a existing function
#generate_structures = task.pythonjob(outputs=[{"name": "structure_lst", "identifier": "Namespace"}])(generate_structures)


atoms = bulk("Si")
wg = WorkGraph("EOS-WG")
generate_structures_task = wg.add_task(
        generate_structures,
        name="generate_structures",
        factor_lst=[0.95, 1.0, 1.05],
        structure=atoms,
    )
wg.submit()

[codecov-commenter]

Codecov Report

Attention: Patch coverage is 91.17647% with 3 lines in your changes missing coverage. Please review.

Project coverage is 75.71%. Comparing base (5937b88) to head (3b3487c).
Report is 15 commits behind head on main.

Files	Patch %	Lines
tests/test_python.py	83.33%	2 Missing ⚠️
aiida_workgraph/utils/__init__.py	87.50%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #190      +/-   ##
==========================================
- Coverage   75.75%   75.71%   -0.04%     
==========================================
  Files          70       69       -1     
  Lines        4615     4732     +117     
==========================================
+ Hits         3496     3583      +87     
- Misses       1119     1149      +30     

Flag	Coverage Δ
python-3.11	75.61% <91.17%> (-0.06%)	⬇️
python-3.9	75.68% <91.17%> (-0.06%)	⬇️

Flags with carried forward coverage won't be shown. Click here to find out more.

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.