diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index e242eb6fd..a480eb458 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -15,16 +15,15 @@ jobs: - uses: actions/checkout@v2 # set up conda - name: Set up Python ${{ matrix.python-version }} - uses: conda-incubator/setup-miniconda@v2 + uses: actions/setup-python@v4 with: - auto-activate-base: true - activate-environment: "" + python-version: ${{ matrix.python-version }} # install rdkit and openbabel - name: Install rdkit - run: conda create -c conda-forge -n my-rdkit-env python=${{ matrix.python-version }} rdkit openbabel; + run: python -m pip install rdkit openbabel-wheel - name: Install dependencies - run: source $CONDA/bin/activate my-rdkit-env && pip install .[amber,ase,pymatgen] coverage codecov + run: python -m pip install .[amber,ase,pymatgen] coverage codecov - name: Test - run: source $CONDA/bin/activate my-rdkit-env && cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report + run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report - name: Run codecov - run: source $CONDA/bin/activate my-rdkit-env && codecov + run: codecov