Test caching

troyvvgroup · Jan 17, 2025 · 94ede7e · 94ede7e
1 parent ef240f9
commit 94ede7e
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/.github/workflows/quemb_unittest.yml b/.github/workflows/quemb_unittest.yml
@@ -134,18 +134,19 @@ jobs:
       uses: actions/cache/restore@v4
       with:
         path: ${{ env.pythonLocation }}
-        key: ${{ env.pythonLocation }}-${{ runner.OS  }}-block2-cache-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }}-${{ hashFiles('tests/test_requirements.txt') }}}}
+        key: ${{ env.pythonLocation }}-${{ runner.OS }}-block2-cache-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }}-${{ hashFiles('tests/test_requirements.txt') }}}}
 
     - name: Install block2
       if: steps.restore-block2-cache.outputs.cache-hit != 'true'
       run: |
-        pip install mkl==2025.0.1
-        pip install pybind11
+        conda install mkl==2025.0.1
+        conda install pybind11
         pip install block2 --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/
         pip install git+https://github.com/pyscf/dmrgscf
         PYSCFHOME=$(pip show pyscf-dmrgscf | grep 'Location' | tr ' ' '\n' | tail -n 1)
         cp  src/quemb/shared/external/dmrgscf_settings.py ${PYSCFHOME}/pyscf/dmrgscf/settings.py
         pip install .
+        echo $LD_LIBRARY_PATH
 
     - name: Save block2 Cache
       id: save-block2-cache