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Psi4 random fail restarts #409

Merged
merged 6 commits into from
Aug 2, 2023
Merged

Psi4 random fail restarts #409

merged 6 commits into from
Aug 2, 2023

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jthorton
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@jthorton jthorton commented Jul 27, 2023

Description

This PR fixes #407 by adding a valid error message which raises a RandomError needed to restart the calculations.

Changelog description

Psi4 tasks are now correctly restarted when there is no valid error message.

Status

  • Code base linted
  • Ready to go

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codecov bot commented Jul 28, 2023

Codecov Report

Merging #409 (e6dc761) into master (1822ea4) will increase coverage by 22.67%.
Report is 1 commits behind head on master.
The diff coverage is 100.00%.

Additional details and impacted files

@jthorton
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Ah just noticed there is a programs/tests folder should I move the new psi4 test to programs/tests/test_programspy ?

@loriab
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loriab commented Aug 2, 2023

Ah just noticed there is a programs/tests folder should I move the new psi4 test to programs/tests/test_programspy ?

No need, there's no particular distinction in what goes where for tests.

(I'll patch up the branch after 414 gets merged. That'll solve the black/lint fail, too.)

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Thanks, I learned about pytest monkeypatch. I'll be removing all the pydantic constraints, but the psi4 part lgtm.

@loriab loriab merged commit 3f69fad into MolSSI:master Aug 2, 2023
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Psi4 _handle_output stops retries
2 participants