Prepare FAIRChem Hydra entry points for Hydra 1.4 - #2164
Open
frostedoyster with Copilot wants to merge 2 commits into
Open
Prepare FAIRChem Hydra entry points for Hydra 1.4#2164frostedoyster with Copilot wants to merge 2 commits into
frostedoyster with Copilot wants to merge 2 commits into
Conversation
Co-authored-by: frostedoyster <98903385+frostedoyster@users.noreply.github.com>
Copilot
AI
changed the title
[WIP] Prepare FAIRChem for Hydra 1.4 compatibility
Prepare FAIRChem Hydra entry points for Hydra 1.4
Aug 13, 2026
frostedoyster
marked this pull request as ready for review
August 13, 2026 23:27
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Hydra 1.4 deprecates legacy
version_basevalues and tightens config filename handling, which breaks FAIRChem’s primary CLI startup path and risks unbounded dependency resolution. This PR updates Hydra compatibility infairchem-coreand adds focused coverage for Hydra composition/startup paths that previously had no direct tests.Hydra compatibility in core CLI
src/fairchem/core/_cli.pyto useversion_base="1.3"(from"1.1")..ymluser configs under Hydra 1.4 by composing from a temporary.yamlcopy when needed.Dependency floor for upcoming Hydra release
packages/fairchem-core/pyproject.toml:hydra-core→hydra-core>=1.3Hydra-path coverage added where missing
tests/core/scripts/test_sweep_inference_benchmark.pyto validateload_config()composition andJobConfiginitialization.tests/lammps/test_lammps_fc.pywith a Hydra entrypoint startup test forlammps_fc.main()using lightweight mocking of runtime LAMMPS execution.