janus-core/.github/workflows/ci-dev.yml at main · stfc/janus-core · GitHub

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name: ci-dev

on:
  push:
    branches: [main]

jobs:
  test-dev-versions:
    continue-on-error: true
    runs-on: ubuntu-latest
    timeout-minutes: 30
    strategy:
      matrix:
        python-version: ["3.12"]

    steps:
    - uses: actions/checkout@v6

    - name: Install uv
      uses: astral-sh/setup-uv@v7
      with:
        python-version: ${{ matrix.python-version }}

    - name: Install dependencies
      run: uv sync --extra chgnet --extra dpa3 --extra d3 --extra grace --extra mace --extra orb --extra upet --extra plumed

    # Full reinstall in case the version number is the same as the last release
    - name: Uninstall release versions
      run: uv pip uninstall ase mace-torch

    - name: Install dev versions
      run: |
        uv pip install \
            https://gitlab.com/ase/ase.git \
            https://github.com/ACEsuit/mace.git

    - name: Run test suite
      env:
        # show timings of tests
        PYTEST_ADDOPTS: "--durations=0"
      run: uv run --no-sync pytest .