diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 6c42dcac..f4bacd86 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -20,6 +20,7 @@ jobs: fail-fast: true matrix: os: [ubuntu-latest, macos-14, windows-latest] + python-version: ["310", "312"] runs-on: ${{ matrix.os }} steps: @@ -29,7 +30,7 @@ jobs: - name: Set up Python uses: actions/setup-python@v5 with: - python-version: "3.10" + python-version: ${{ matrix.python-version }} cache: pip cache-dependency-path: pyproject.toml @@ -39,14 +40,16 @@ jobs: - name: Install dependencies run: | uv pip install cython --system - # install ase from main branch until FrechetCellFilter is released - # TODO remove uv pip install git+https://gitlab.com/ase/ase + python setup.py build_ext --inplace + uv pip install -e .[test] --system + + # TODO remove next line installing ase from main branch when FrechetCellFilter is released uv pip install --upgrade 'ase@git+https://gitlab.com/ase/ase' --system - name: Run Tests - run: pytest --capture=no --cov --cov-report=xml . + run: pytest --capture=no --cov --cov-report=xml env: CHGNET_DEVICE: cpu @@ -87,7 +90,7 @@ jobs: strategy: matrix: os: [ubuntu-latest, macos-14, windows-latest] - python-version: ["39", "310", "311"] + python-version: ["39", "310", "311", "312"] runs-on: ${{ matrix.os }} steps: - name: Check out repo diff --git a/pyproject.toml b/pyproject.toml index 47955ddb..5d34cbe8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -24,6 +24,7 @@ classifiers = [ "Operating System :: OS Independent", "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", + "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.9", "Topic :: Scientific/Engineering :: Artificial Intelligence", "Topic :: Scientific/Engineering :: Chemistry",