diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml index d91d0d0d..71117835 100644 --- a/.github/workflows/benchmark.yml +++ b/.github/workflows/benchmark.yml @@ -21,7 +21,7 @@ jobs: **/requirements*.txt **/pyproject.toml - name: Install dependencies - run: uv pip install --system .[test,amber,ase,pymatgen,benchmark] rdkit openbabel-wheel + run: uv pip install --system .[test,amber,ase,pymatgen,benchmark] rdkit 'openbabel>=3.2.0' - name: Run benchmarks uses: CodSpeedHQ/action@v4 with: diff --git a/.github/workflows/pyright.yml b/.github/workflows/pyright.yml index 9fbc470b..cebe2b60 100644 --- a/.github/workflows/pyright.yml +++ b/.github/workflows/pyright.yml @@ -13,7 +13,7 @@ jobs: with: python-version: '3.12' - run: pip install uv - - run: uv pip install --system -e .[amber,ase,pymatgen] rdkit openbabel-wheel + - run: uv pip install --system -e .[amber,ase,pymatgen] rdkit 'openbabel>=3.2.0' - uses: jakebailey/pyright-action@v3 with: version: 1.1.363 diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 823a13bf..ff13d485 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -26,7 +26,7 @@ jobs: **/pyproject.toml cache-suffix: "py${{ matrix.python-version }}" - name: Install dependencies - run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel + run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin rdkit 'openbabel>=3.2.0' - name: Test run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report - name: Run codecov