Error from test_run_opt

[ElliottKasoar]

When running tests via pytest or tox, I get:

FAILED tests/calculations/test_geomopt.py::test_run_opt - AssertionError: assert 'results_dict' in {'remote_folder': <RemoteData: uuid: a5fd0271-3769-4830-9e7b-b9bc4e35d9a3 ...

This may be due to changes to ase, or janus-core.

[ElliottKasoar]

I think this is a result of changes to vectors_only and fully_opt.

The error handling could definitely be improved. Running this in the tutorial notebook returns

from aiida.engine import run_get_node
result, node = run_get_node(geomoptCalc, **inputs)
print("CALCULATION FINISHED")

10/17/2024 12:33:47 PM <33562> aiida.parser.GeomOptParser: [ERROR] Found files '['_scheduler-stderr.txt', '_scheduler-stdout.txt', 'aiida-stdout.txt']', expected to find '{'aiida-stdout.txt', 'aiida.log'}'
10/17/2024 12:33:47 PM <33562> aiida.orm.nodes.process.calculation.calcjob.CalcJobNode: [WARNING] output parser returned exit code<305>: Some output files missing or cannot be read
CALCULATION FINISHED