Integrate rascaline with metatensor atomistic models #19
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: TorchScript tests | |
| on: | |
| push: | |
| branches: [master] | |
| pull_request: | |
| # Check all PR | |
| concurrency: | |
| group: torch-tests-${{ github.ref }} | |
| cancel-in-progress: ${{ github.ref != 'refs/heads/master' }} | |
| jobs: | |
| tests: | |
| runs-on: ${{ matrix.os }} | |
| name: ${{ matrix.os }} / Torch ${{ matrix.torch-version }} | |
| strategy: | |
| matrix: | |
| include: | |
| - os: ubuntu-20.04 | |
| torch-version: 1.11.* | |
| python-version: "3.8" | |
| cargo-test-flags: --release | |
| - os: ubuntu-20.04 | |
| torch-version: 2.1.* | |
| python-version: "3.11" | |
| cargo-test-flags: --release | |
| do-valgrind: true | |
| - os: macos-11 | |
| torch-version: 2.1.* | |
| python-version: "3.11" | |
| cargo-test-flags: --release | |
| - os: windows-2019 | |
| torch-version: 2.1.* | |
| python-version: "3.11" | |
| cargo-test-flags: --release | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - name: setup rust | |
| uses: dtolnay/rust-toolchain@master | |
| with: | |
| toolchain: stable | |
| # we get torch from pip to run the C++ test | |
| - name: setup Python | |
| uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: install valgrind | |
| if: matrix.do-valgrind | |
| run: | | |
| sudo apt-get update | |
| sudo apt-get install -y valgrind | |
| - name: Setup sccache | |
| uses: mozilla-actions/sccache-action@v0.0.3 | |
| with: | |
| version: "v0.5.4" | |
| - name: Setup sccache environnement variables | |
| run: | | |
| echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV | |
| echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV | |
| echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
| echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
| - name: run TorchScript C++ tests | |
| run: cargo test --package rascaline-torch ${{ matrix.cargo-test-flags }} | |
| env: | |
| # Use the CPU only version of torch when building/running the code | |
| PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu | |
| RASCALINE_TORCH_TEST_VERSION: ${{ matrix.torch-version }} |