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let setuptools auto detect pkg layout and remove deps#91

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IAlibay merged 2 commits intomainfrom
fix/empty-pkg
Nov 19, 2025
Merged

let setuptools auto detect pkg layout and remove deps#91
IAlibay merged 2 commits intomainfrom
fix/empty-pkg

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@mikemhenry
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@mikemhenry mikemhenry commented Nov 19, 2025

fixes regression to src/ layout. setuptools didn't detect a src/ layout and created an empty package.

This also removes the deps from the pyproject.toml which are a footgun since it can then install a very old version of gufe.

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This also fixes downstream issues with doc building for openfe.

@IAlibay IAlibay requested a review from atravitz November 19, 2025 20:04
keywords = ['alchemical free energy', 'setup', 'perturbation', 'network']
requires-python = ">= 3.9"
dependencies = [
"numpy",
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Are we removing this because of gufe or just because we don't want dependencies overall?

One of the thing we'll be doing soon-ish to making gufe optional, so I'm wondering if we should just drop the gufe from this list in the hope that we might be able to put this on pypi? Or just no and we add it back later if needed?

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I vote once we remove the gufe dep we then fill this out correctly (need some min version pins at least) and then get it on pypi

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but for now just have no deps listed

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Approving early so that we don't block failing things downstream.

@IAlibay IAlibay merged commit edf098b into main Nov 19, 2025
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@IAlibay IAlibay deleted the fix/empty-pkg branch November 19, 2025 21:24
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2 participants