Install the chem extra in the jobs that exercise RDKit - #9
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Moving rdkit into the chem extra stopped CI installing it, so every test in tests/operators/test_drug_discovery.py and the drug-discovery, molnet and molecular-splitter suites failed with ModuleNotFoundError. The extra is right: installing the package should not pull a chemistry toolkit. The tests that cover that code still need it, so the two jobs that execute them ask for it explicitly. Scoped to those jobs rather than added everywhere. No test file imports rdkit at module level, verified by parsing each one, so collection is unaffected elsewhere; integration and e2e select no rdkit-dependent tests.
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Moving
rdkitinto thechemextra stopped CI installing it, so the drug-discovery suites now fail onmainwithModuleNotFoundError: No module named 'rdkit'.The extra itself is right: installing the package should not pull a chemistry toolkit. But the tests that cover that code still need it.
Scope
Thirteen test files reference rdkit, spanning
tests/operators/,tests/benchmarks/,tests/sources/andtests/splitters/. Mapping jobs to the tests they execute, only two run any of them:unit_tests.[dev,test,genomics]→.[dev,test,genomics,chem]performance_tests.[dev,test,benchmark]→.[dev,test,benchmark,chem]integration_testsruns onlytests/integration/, which has no rdkit-dependent test, ande2e_testsselects-m e2e, which none of the thirteen carry.Collection is safe everywhere: every rdkit import in the test suite is inside a function or fixture, verified by parsing each of the thirteen files rather than by grep, so no job fails at import time.