try docs build #440
Workflow file for this run
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| name: Tests | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| workflow_dispatch: | |
| workflow_call: | |
| concurrency: | |
| group: ${{ github.workflow }}-pr-${{ github.event.pull_request.number }} | |
| cancel-in-progress: true | |
| jobs: | |
| test-core: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Run Tests | |
| run: | | |
| pytest --cov=torch_sim --cov-report=xml \ | |
| --ignore=tests/models/test_mace.py \ | |
| --ignore=tests/models/test_fairchem.py \ | |
| --ignore=tests/models/test_orb.py \ | |
| --ignore=tests/models/test_sevennet.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: core,${{ matrix.os }},python-${{ matrix.version.python }} | |
| test-mace: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Install mace | |
| run: uv pip install mace-torch --system | |
| - name: Run Tests with Coverage | |
| run: pytest --cov=torch_sim --cov-report=xml tests/models/test_mace.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: mace,${{ matrix.os }},python-${{ matrix.version.python }} | |
| test-elastic: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Install mace | |
| run: uv pip install mace-torch --system | |
| - name: Run Tests with Coverage | |
| run: pytest --cov=torch_sim --cov-report=xml tests/test_elastic.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: elastic,${{ matrix.os }},python-${{ matrix.version.python }} | |
| test-fairchem: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Check out fairchem | |
| uses: actions/checkout@v4 | |
| with: | |
| repository: FAIR-Chem/fairchem | |
| path: fairchem-repo | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Install fairchem dependencies | |
| run: | | |
| if [ -f fairchem-repo/packages/requirements.txt ]; then | |
| uv pip install -r fairchem-repo/packages/requirements.txt --system | |
| fi | |
| if [ -f fairchem-repo/packages/requirements-optional.txt ]; then | |
| uv pip install -r fairchem-repo/packages/requirements-optional.txt --system | |
| fi | |
| uv pip install -e fairchem-repo/packages/fairchem-core[dev] --system | |
| - name: Run Tests with Coverage | |
| run: | | |
| pytest --cov=torchsim --cov-report=xml tests/models/test_fairchem.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: fairchem,${{ matrix.os }},python-${{ matrix.version.python }} | |
| test-orb: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install orb dependencies | |
| run: | | |
| uv pip install "orb-models@git+https://github.com/orbital-materials/orb-models#egg=637a98d49cfb494e2491a457d9bbd28311fecf21" --system | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Run Tests with Coverage | |
| run: | | |
| pytest --cov=torchsim --cov-report=xml tests/models/test_orb.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: orb,${{ matrix.os }},python-${{ matrix.version.python }} | |
| test-sevennet: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-14] | |
| version: | |
| - { python: "3.11", resolution: highest } | |
| - { python: "3.12", resolution: lowest-direct } | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Check out repo | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.version.python }} | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Install sevennet dependencies | |
| run: | | |
| uv pip install sevenn --system | |
| - name: Install torchsim | |
| run: uv pip install -e .[test] --resolution=${{ matrix.version.resolution }} --system | |
| - name: Run Tests with Coverage | |
| run: | | |
| pytest --cov=torchsim --cov-report=xml tests/models/test_sevennet.py | |
| - name: Upload coverage to Codecov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| slug: Radical-AI/torch-sim | |
| flags: sevennet,${{ matrix.os }},python-${{ matrix.version.python }} | |
| find-examples: | |
| runs-on: ubuntu-latest | |
| outputs: | |
| examples: ${{ steps.set-matrix.outputs.examples }} | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v4 | |
| - name: Find example scripts | |
| id: set-matrix | |
| run: | | |
| # Find all example scripts but exclude known failing ones | |
| EXAMPLES=$(find examples -name "*.py" | jq -R -s -c 'split("\n")[:-1]') | |
| echo "examples=$EXAMPLES" >> $GITHUB_OUTPUT | |
| test-examples: | |
| needs: find-examples | |
| runs-on: ubuntu-latest | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| example: ${{fromJson(needs.find-examples.outputs.examples)}} | |
| steps: | |
| - name: Check out repository | |
| uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: 3.11 | |
| - name: Set up uv | |
| uses: astral-sh/setup-uv@v2 | |
| - name: Run example | |
| run: uv run --with . ${{ matrix.example }} |