diff --git a/.github/workflows/quemb_unittest.yml b/.github/workflows/quemb_unittest.yml index 2149e413..a6bef97d 100644 --- a/.github/workflows/quemb_unittest.yml +++ b/.github/workflows/quemb_unittest.yml @@ -157,8 +157,9 @@ jobs: - name: Test with pytest run: | cd tests + export QUEMB_SKIP_EXPENSIVE_TESTS=true # QUEMB_SKIP_EXPENSIVE_TESTS=true pytest --doctest-modules --junitxml=junit/quemb-test-results_${{ matrix.python-version }}.xml - QUEMB_SKIP_EXPENSIVE_TESTS=true pytest --doctest-modules --junitxml=junit/quemb-test-results_${{ matrix.python-version }}.xml dmrg_molBE_test.py + LD_PRELOAD=${{ env.pythonLocation }}/libmkl_core.so pytest -c '--doctest-modules --junitxml=junit/quemb-test-results_${{ matrix.python-version }}.xml dmrg_molBE_test.py' - name: Upload pytest junit results diff --git a/tests/test_opt_requirements.txt b/tests/test_opt_requirements.txt index 25e193f5..2f16436c 100644 --- a/tests/test_opt_requirements.txt +++ b/tests/test_opt_requirements.txt @@ -1,2 +1,3 @@ +# Optional dependencies for QuEmb's DMRG unit tests. block2 --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/ git+https://github.com/pyscf/dmrgscf