Intel oneAPI CI #1628
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| name: CI | |
| on: | |
| push: | |
| branches: [master, dev] | |
| pull_request: | |
| schedule: | |
| - cron: '0 2 * * *' | |
| env: | |
| LINUX_BASEKIT_URL: https://registrationcenter-download.intel.com/akdlm/IRC_NAS/dfc4a434-838c-4450-a6fe-2fa903b75aa7/intel-oneapi-base-toolkit-2025.0.1.46_offline.sh | |
| LINUX_HPCKIT_URL: https://registrationcenter-download.intel.com/akdlm/IRC_NAS/b7f71cf2-8157-4393-abae-8cea815509f7/intel-oneapi-hpc-toolkit-2025.0.1.47_offline.sh | |
| LINUX_AIKIT_URL: https://registrationcenter-download.intel.com/akdlm/IRC_NAS/491d5c2a-67fe-48d0-884f-6aecd88f5d8a/ai-tools-2025.0.0.75_offline.sh | |
| LINUX_CPP_COMPONENTS: intel-oneapi-dpcpp-cpp-compiler | |
| LINUX_FORTRAN_COMPONENTS: intel-oneapi-compiler-fortran | |
| LINUX_DPCPP_COMPONENTS: intel-oneapi-compiler-dpcpp-cpp | |
| LINUX_CPP_COMPONENTS_WEB: intel.oneapi.lin.dpcpp-cpp-compiler | |
| LINUX_FORTRAN_COMPONENTS_WEB: intel.oneapi.lin.ifort-compiler | |
| LINUX_DPCPP_COMPONENTS_WEB: intel.oneapi.lin.dpcpp-cpp-compiler | |
| CACHE_NUMBER: 5 | |
| SAMPLES_TAG: 2025.0.0 | |
| AI_SAMPLES_TAG: 2025.0.0 | |
| COMPILER_VERSION: 2025.0.4 | |
| TBB_VERSION: 2022.0.0 | |
| VS_VER: vs2022 | |
| jobs: | |
| full_gnu: | |
| name: python ${{ matrix.python-version }} on ${{ matrix.os }} with GNU compilers + OpenBLAS | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - {python-version: "3.8", os: ubuntu-latest, documentation: True} | |
| - {python-version: "3.9", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.10", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.11", os: ubuntu-latest, documentation: False} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: 'pip' | |
| - name: Upgrade pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - name: Install Vayesta along with dependencies | |
| run: | | |
| python -m pip install wheel --user | |
| python -m pip install setuptools --upgrade --user | |
| python -m pip install https://github.com/BoothGroup/dyson/archive/master.zip | |
| python -m pip install .[dmet,ebcc] --user | |
| - name: Run unit tests | |
| run: | | |
| python -m pip install pytest pytest-cov --user | |
| python .github/workflows/run_tests.py | |
| - name: Upload to codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| verbose: true | |
| - name: Build docs | |
| run: | | |
| python -m pip install sphinx!=5.1.0 sphinx_rtd_theme | |
| cd docs | |
| bash make_apidoc.sh | |
| make html | |
| cd .. | |
| if: ${{ matrix.documentation }} | |
| - name: Deploy docs | |
| uses: peaceiris/actions-gh-pages@v3 | |
| with: | |
| publish_branch: gh-pages | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: docs/build/html | |
| force_orphan: true | |
| if: ${{ matrix.documentation && github.ref == 'refs/heads/master' && github.event_name != 'schedule' }} | |
| full_intel: | |
| name: python ${{ matrix.python-version }} on ${{ matrix.os }} with Intel oneAPI | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| - {python-version: "3.8", os: ubuntu-latest, documentation: True} | |
| - {python-version: "3.9", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.10", os: ubuntu-latest, documentation: False} | |
| - {python-version: "3.11", os: ubuntu-latest, documentation: False} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| cache: 'pip' | |
| - name: Upgrade pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - name: Install Intel oneAPI | |
| run: bash .github/workflows/install_intel.sh $LINUX_HPCKIT_URL $LINUX_FORTRAN_COMPONENTS_WEB | |
| - name: Install Vayesta along with dependencies | |
| run: | | |
| source /opt/intel/oneapi/setvars.sh | |
| python -m pip install wheel --user | |
| python -m pip install setuptools --upgrade --user | |
| python -m pip install https://github.com/BoothGroup/dyson/archive/master.zip | |
| python -m pip install .[dmet,ebcc] --user | |
| - name: Run unit tests | |
| run: | | |
| python -m pip install pytest pytest-cov --user | |
| python .github/workflows/run_tests.py | |
| - name: Upload to codecov | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| verbose: true | |
| - name: Build docs | |
| run: | | |
| python -m pip install sphinx!=5.1.0 sphinx_rtd_theme | |
| cd docs | |
| bash make_apidoc.sh | |
| make html | |
| cd .. | |
| if: ${{ matrix.documentation }} | |
| - name: Deploy docs | |
| uses: peaceiris/actions-gh-pages@v3 | |
| with: | |
| publish_branch: gh-pages | |
| github_token: ${{ secrets.GITHUB_TOKEN }} | |
| publish_dir: docs/build/html | |
| force_orphan: true | |
| if: ${{ matrix.documentation && github.ref == 'refs/heads/master' && github.event_name != 'schedule' }} | |
| bare: | |
| name: python 3.8 on ubuntu-latest with no optional dependencies | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python 3.8 | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: 3.8 | |
| cache: 'pip' | |
| - name: Upgrade pip | |
| run: | | |
| python -m pip install --upgrade pip | |
| - name: Install Vayesta | |
| run: | | |
| python -m pip install wheel --user | |
| python -m pip install setuptools --upgrade --user | |
| python -m pip install . --user | |
| - name: Run unit tests | |
| run: | | |
| python -m pip install pytest pytest-cov --user | |
| python .github/workflows/run_tests.py |