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Update OpenFE pin to use 1.13 and update cinnabar plot script - #176

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jthorton merged 11 commits into
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cinnabar_update
Oct 20, 2026
Merged

jthorton merged 11 commits into
mainfrom
cinnabar_update

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I also noticed the _no_test_example_plot_asfe.py is using the new cinnabar (0.6 +) so we leave that script.

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Blocked by #150

Comment thread devtools/conda-envs/environment.yml Resolved

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Everything looks like it's coming along but I see the tests didn't pass.

Since we are updating the version of OpenFE and cinnebar, _not_test_example_plot_asfe.py should be renamed _example_plot_asfe.py so that it runs in CI.

I ran locally and everything passes if in _example_plot_asfe.py the lines:

        n_values = len(femap.graph.nodes)
        print(f"  - {system_group}/{system_name}: {n_values} calculations")

are replaced with:

        n_edges = femap.n_edges
        print(f"  - {system_group}/{system_name}: {n_edges} edges")

Comment thread devtools/conda-envs/environment.yml Resolved
Comment thread devtools/conda-envs/environment.yml Resolved
@jthorton jthorton linked an issue Oct 19, 2026 that may be closed by this pull request
Comment thread .github/workflows/ci.yml Resolved
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
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Possibly also supersedes #150 by updating the version of pontibus used.

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Looks good, thanks for doing this!

@jthorton
jthorton merged commit f85850e into main Oct 20, 2026
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@jthorton
jthorton deleted the cinnabar_update branch October 20, 2026 12:21
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_example_plot_rbfe.py incompatible with cinnabar

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