Add test_opt_requirements.txt

troyvvgroup · Jan 17, 2025 · 00a91a7 · 00a91a7
1 parent fb59e91
commit 00a91a7
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/.github/workflows/quemb_unittest.yml b/.github/workflows/quemb_unittest.yml
@@ -96,7 +96,7 @@ jobs:
       uses: actions/cache/restore@v4
       with:
         path: ${{ env.pythonLocation }}
-        key: ${{ env.pythonLocation }}-${{ runner.OS  }}-pip-cache-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }}-${{ hashFiles('tests/test_requirements.txt') }}}}
+        key: ${{ env.pythonLocation }}-${{ runner.OS  }}-pip-cache-${{ hashFiles('setup.py') }}-${{ hashFiles('dev-requirements.txt') }}}}
 
     - name: Install pip
       if: steps.restore-pip-cache.outputs.cache-hit != 'true'
@@ -136,21 +136,17 @@ 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_opt_requirements.txt')}}}}
 
     - name: Install block2
       if: steps.restore-block2-cache.outputs.cache-hit != 'true'
       run: |
-        pip install mkl>=2025.0.1
-        pip install mkl-include
-        pip install block2 --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/
-        pip install git+https://github.com/pyscf/dmrgscf
+        pip install -r tests/test_opt_requirements.txt
         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 .
 
     - name: Save block2 Cache
-      if: steps.restore-quemb-cache.outputs.cache-hit != 'true'
+      if: steps.restore-block2-cache.outputs.cache-hit != 'true'
       id: save-block2-cache
       uses: actions/cache/save@v4
       with: 

diff --git a/tests/test_opt_requirements.txt b/tests/test_opt_requirements.txt
@@ -0,0 +1,4 @@
+mkl>=2025.0.1
+mkl-include
+block2 --extra-index-url=https://block-hczhai.github.io/block2-preview/pypi/
+git+https://github.com/pyscf/dmrgscf