diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index e4d9a91fb..4a17fcde1 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -18,11 +18,9 @@ jobs: uses: actions/setup-python@v5 with: python-version: ${{ matrix.python-version }} - # install rdkit and openbabel - - name: Install rdkit - run: python -m pip install rdkit openbabel-wheel + - run: curl -LsSf https://astral.sh/uv/install.sh | sh - name: Install dependencies - run: python -m pip install .[amber,ase,pymatgen] coverage ./tests/plugin + run: uv pip install --system .[amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel - name: Test run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report - name: Run codecov diff --git a/.github/workflows/test_import.yml b/.github/workflows/test_import.yml index 6ab0dbe2d..9f429819d 100644 --- a/.github/workflows/test_import.yml +++ b/.github/workflows/test_import.yml @@ -13,5 +13,6 @@ jobs: with: python-version: '3.9' architecture: 'x64' - - run: python -m pip install . + - run: python -m pip install uv + - run: python -m uv pip install --system . - run: python -c 'import dpdata'