few modifs #7
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: QuAcK CI | |
| on: | |
| push: | |
| branches: | |
| - ci | |
| pull_request: | |
| branches: | |
| - master | |
| schedule: | |
| - cron: "42 19 * * 6" | |
| jobs: | |
| build: | |
| runs-on: ubuntu-20.04 | |
| name: Compilation and Tests | |
| 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" |