fix: repository audit remediation (CI, bugs, docs, packaging)#56
Merged
Conversation
CI/CD: - Remove broken cursor-code-review workflow (missing CURSOR_API_KEY) - Add tests-hf job; add to deploy-docs gate - Add timeout-minutes: 20 to all jobs; fetch-depth: 0 to tests-core - Remove silently-ignored branches filter from release event trigger - Add concurrency group to GPU tests workflow Bug fixes: - AIMNet2Calculator: relative two-segment paths (e.g. subdir/model.pt) matched HF regex but had no fallthrough, leaving self.model unassigned - load_model_registry(): registry_file param was ignored (hardcoded open()) - AIMNet2ASE: implemented_species stored in model._metadata, not on calc - hf_hub: needs_coulomb, needs_dispersion, coulomb_mode, implemented_species now use _cfg() so GCS fallback is consulted for family-level config.json - np.in1d removed in NumPy 2.0; replace with np.isin - logging.warn deprecated; replace with logging.warning Codebase: - Add has_embedded_lr: NotRequired[bool] to ModelMetadata TypedDict - Delete aimnet/base.py (dead code, superseded by aimnet/models/base.py) Tests: - Regression test for relative-path routing bug (monkeypatch.chdir) - test_model_registry.py: registry_file param and default path coverage - AIMNet2ASE species validation tests - Session-scoped aimnet2_calc fixture in conftest.py Docs: - calculator.md: document ensemble_member, revision, token params - calculator.md: add HF repo ID and local HF dir rows to model param table Packaging: - warp-lang>=1.11,<2 upper bound - Python 3.13 classifier
4a0115a to
5ec78c1
Compare
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Summary
Addresses all findings from the 2026-04-08 repository audit across CI/CD, codebase bugs, tests, docs, and packaging.
CI/CD
cursor-code-reviewworkflow (missingCURSOR_API_KEYsecret)tests-hfCI job; addtests-hftodeploy-docsgatetimeout-minutes: 20to all jobs;fetch-depth: 0totests-corebranchesfilter fromreleaseevent inon-release-main.ymlconcurrencygroup to GPU tests workflow to prevent runner queue buildupBug fixes
AIMNet2Calculatorrouting bug: relative two-segment paths (e.g.subdir/model.pt) matched the HF regex but had no fallthrough, leavingself.modelunassignedload_model_registry()ignoring itsregistry_fileparameter (hardcoded path inopen())AIMNet2ASEspecies validation:implemented_speciesis stored inmodel._metadata, not as a direct attribute on the calculatorhf_hub.py:needs_coulomb,needs_dispersion,coulomb_modenow use_cfg()so GCS fallback is consulted when fields are missing fromconfig.jsonlogging.warn→logging.warningCodebase
has_embedded_lr: NotRequired[bool]toModelMetadataTypedDictaimnet/base.py(dead code, superseded byaimnet/models/base.py)Tests
test_model_registry.pycoveringregistry_fileparamAIMNet2ASEspecies validation testsaimnet2_calcfixture toconftest.pyDocs
ensemble_member,revision,tokenconstructor params incalculator.mdmodelparameter tablePackaging
warp-lang<2upper bound to prevent silent breakage on next major versionTest plan
tests-hfjob runs and passesdeploy-docsonly triggers after all jobs green