Bump gufe / openfe / feflow runtime env pins to current latest stable#512
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feflow 0.2.1 hit conda-forge and now pins gufe >=1.9.0,<2 and openfe >=1.10.0,<2. The existing pins (gufe=1.6.1 / openfe=1.6.1 / feflow=0.1.4 across the deployment envs, and gufe=1.7.1 / openfe=1.8.0 in test) leave callers unable to use feflow 0.2.1 against an alchemiscale env. Bump the trio to the latest mutually-compatible exact pins: - gufe = 1.10.0 (satisfies openfe 1.11.1's gufe >=1.10.0,<1.11) - openfe = 1.11.1 (satisfies feflow 0.2.1's openfe >=1.10.0,<2) - feflow = 0.2.1 (latest stable) Apply across the four runtime env files: test, server, compute, client. devtools/conda-envs/docs.yml is intentionally unchanged -- the docs build runs sphinx 9's autodoc, which trips on the `PositiveFloat | None` annotation in gufe >=1.8.0 (works with pydantic v1 in gufe 1.3.0; pydantic v2 in gufe 1.10.0 makes PositiveFloat an `Annotated[float, ...]` with no `__or__`). docs.yml only needs gufe for intersphinx and type-hint resolution, so leaving it at 1.3.0 keeps the docs build green; addressing the docs gufe bump is a separate concern from this maintenance bump. Extracted from PR #507 to unblock other inflight PRs needing the newer dependency set. Co-Authored-By: Claude Opus 4.7 (1M context) <noreply@anthropic.com>
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Summary
Extracted from #507 to unblock other inflight PRs that need the newer dependency set without waiting for the larger feature work.
feflow0.2.1 hit conda-forge and now pinsgufe >=1.9.0,<2andopenfe >=1.10.0,<2. The existing pins (gufe=1.6.1/openfe=1.6.1/feflow=0.1.4in the deployment envs,gufe=1.7.1/openfe=1.8.0in test) leave callers unable to usefeflow0.2.1 against analchemiscaleenv.This PR bumps the trio to the latest mutually-compatible exact pins across the four runtime env files:
devtools/conda-envs/test.ymlgufe=1.7.1,openfe=1.8.0,feflow>=0.1.4gufe=1.10.0,openfe=1.11.1,feflow=0.2.1devtools/conda-envs/alchemiscale-server.ymlgufe=1.6.1,openfe=1.6.1,feflow=0.1.4gufe=1.10.0,openfe=1.11.1,feflow=0.2.1devtools/conda-envs/alchemiscale-compute.ymlgufe=1.6.1,openfe=1.6.1,feflow=0.1.4gufe=1.10.0,openfe=1.11.1,feflow=0.2.1devtools/conda-envs/alchemiscale-client.ymlgufe=1.6.1,openfe=1.6.1,feflow=0.1.4gufe=1.10.0,openfe=1.11.1,feflow=0.2.1Version cascade arithmetic
feflow=0.2.1requiresgufe >=1.9.0,<2andopenfe >=1.10.0,<2.openfe-base=1.11.1requiresgufe >=1.10.0,<1.11→ soopenfe=1.11.1forcesgufe=1.10.0exactly.openfe-base=1.10.0requiresgufe >=1.9.0,<1.10(the other arm of the cascade).Why
docs.ymlis intentionally unchangedThe docs build runs sphinx 9's autodoc, which imports
gufe.settings.modelsand trips on:This works fine in
gufe1.3.0 (pydantic v1,PositiveFloatis a class with__or__) but breaks ingufe>=1.8.0 (pydantic v2,PositiveFloatisAnnotated[float, ...], no__or__).docs.ymlonly needsgufefor intersphinx and type-hint resolution, so leaving it at 1.3.0 keeps the docs build green; the docs env bump is a separate concern, not part of this maintenance PR.Validation
This trio was applied on #507 and CI confirmed green across the test matrix (3.11/3.12/3.13) and ReadTheDocs.
Test plan
testsmatrix green on ubuntu / 3.11, 3.12, 3.13blackgreendocs/readthedocs.orggreen (it's not changed here, so this is just confirming nothing else regressed)🤖 Generated with Claude Code