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use mixin class for QuantumESPRESSO #212

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@smoors smoors commented Nov 30, 2024

notes:

  • this change may affect performance as process binding is now on by default
    - the mixin class no longer raises an error if bench_name is not defined as it's not really needed, and it helps making the QE test a bit simpler.

@casparvl casparvl added this to the v0.4.1 milestone Dec 11, 2024
@@ -435,7 +434,7 @@ def _set_or_append_valid_systems(test: rfm.RegressionTest, valid_systems: str):
warn_msg = f"valid_systems has multiple ({len(test.valid_systems)}) items,"
warn_msg += " which is not supported by this hook."
warn_msg += " Make sure to handle filtering yourself."
warnings.warn(warn_msg)
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Just to double check: these changes were not accidental, right?

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I don't mind too much, but you could set bench_name=None in the class body. Then, with the current logic of setting self.banch_name=self.bench_name_ci in that one particular case in the init hook, that should work, right? I.e. it's essentially only one extra line in the test (a default bench_name).

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you're right, i readded the bench_name check in the mixin class.
i now also set bench_name_ci only for the CI test to avoid that bench_name always has to be set to something.

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and yes, those warning changes are again not accidental :)

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@smoors if you can just double check that the changes to the hooks.py were intentional and check if you'd still like to chance anything regarding the bench_name approach, I'm ok with this PR. Even if you don't change the bench_name approach, I'm ok.

Tested the CI case on all core counts: works like a charm.

@smoors smoors requested a review from casparvl December 12, 2024 10:54
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