create input dir #4
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| name: QuAcK Compilation | |
| on: | |
| push: | |
| branches: | |
| - ci | |
| pull_request: | |
| branches: | |
| - master | |
| schedule: | |
| - cron: "42 19 * * 6" | |
| jobs: | |
| build: | |
| runs-on: ubuntu-20.04 | |
| name: Dependencies | |
| steps: | |
| - name: Checkout repository | |
| uses: actions/checkout@v3 | |
| - name: Install dependencies | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install -y gfortran gcc liblapack-dev libblas-dev wget python3 make m4 pkg-config | |
| - name: Configuration | |
| run: | | |
| ./configure -i ninja || : | |
| - name: Compilation | |
| run: | | |
| bash -c "source quack.rc ; cd src ; make ; cd .. " | |
| - name: Set up Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: '3.x' | |
| - name: Install Python dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pyscf | |
| - name: Run tests | |
| run: | | |
| bash -c "source quack.rc ; cd tests ; python create_database.py ; python lunch_bench.py -s light -t 1e-1" |