Closed msricher closed 7 months ago
@msricher, the pytest workflows in github actions don't pass. We get this error:
ERROR tests/test_libcint.py - TypeError: glob() got an unexpected keyword argument 'root_dir'
!!!!!!!!!!!!!!!!!!!! Interrupted: 1 error during collection !!!!!!!!!!!!!!!!!!!!
=============================== 1 error in 2.75s ===============================
You're right, that's not a valid option for older Python versions. This fixes it.
The current test won't work because it only checks if the build files exist: https://github.com/theochem/gbasis/blob/3a88b8400d17070e2e41e43ab281dea5a109279a/tests/test_libcint.py#L62-L63
It should actually check if a file matching
gbasis/integrals/lib/libcint.so*
exists, as this is the actual file that will be loaded, and included with gbasis when it is packaged.This commit fixes the check, so that the libcint tests will only be skipped if Libcint is missing from the actual package.
@leila-pujal
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