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[WIP] Modify quickrun to allow resuming#1848

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IAlibay wants to merge 3 commits intomainfrom
quickrun_resume
Open

[WIP] Modify quickrun to allow resuming#1848
IAlibay wants to merge 3 commits intomainfrom
quickrun_resume

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@IAlibay IAlibay commented Feb 16, 2026

Minimal changes to quickrun in order to allow resuming by serializing ProtocolDAGs.
Related to & requires OpenFreeEnergy/gufe#738

Checklist

  • All new code is appropriately documented (user-facing code must have complete docstrings).
  • Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

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@IAlibay IAlibay closed this Feb 16, 2026
@IAlibay IAlibay reopened this Feb 16, 2026
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IAlibay commented Feb 16, 2026

pre-commit.ci autofix

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No API break detected ✅



def test_gather(benzene_complex_dag, patcher, tmpdir):
def test_gather(benzene_complex_dag, patcher, tmp_path):
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Here and everywhere else I'm doing a tmpdir -> tmp_path change, turns out tmpdir's implementation in pytest doesn't implement all the pathlib.Path features, so it's better to use tmp_path.

As far as I'm aware the slow tests aren't affected by this because we wrap them around Path calls.

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IAlibay commented Feb 16, 2026

I don't know what's up with the tyk2 CLI test, but locally the restart is working!

@atravitz atravitz added this to the 1.10.0 milestone Feb 16, 2026
@IAlibay IAlibay assigned atravitz and unassigned atravitz Feb 16, 2026
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2 participants