diff --git a/.github/nglview-gha.yml b/.github/nglview-gha.yml index 9183b44a..60e424e6 100644 --- a/.github/nglview-gha.yml +++ b/.github/nglview-gha.yml @@ -4,7 +4,6 @@ channels: - conda-forge dependencies: - - python>=3.6 - pip - jupyter-packaging - qcelemental @@ -15,10 +14,8 @@ dependencies: - notebook - mock - coverage - - nose - pytest - pytest-cov - - coveralls - pandas - ase - biopython @@ -32,5 +29,4 @@ dependencies: - rdkit - mdanalysis - mdtraj - - parmed - - ambertools + - ambertools # have both pytraj and parmed diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 09eb2a31..b4c471b4 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -16,14 +16,14 @@ jobs: strategy: matrix: os: [ubuntu-latest, macos-latest] - python-version: [3.9] + python-version: [3.9, 3.11, 3.12] steps: - name: Checkout nglview repository - uses: actions/checkout@v2 + uses: actions/checkout@v4 - name: Cache conda - uses: actions/cache@v3 + uses: actions/cache@v4 env: CACHE_NUMBER: 2 # Increase this value to reset cache if .github/nglview-gha.yml has not changed with: @@ -32,7 +32,7 @@ jobs: ${{ matrix.os }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('.github/nglview-gha.yml') }} - name: Set up conda environment - uses: conda-incubator/setup-miniconda@v2 + uses: conda-incubator/setup-miniconda@v3 with: auto-update-conda: true auto-activate-base: false @@ -52,4 +52,4 @@ jobs: run: | python setup.py sdist pip install dist/*gz - python -c "import nglview as nv; print(nv.__version__)" + python -c "import nglview as nv; print(nv.__version__)" \ No newline at end of file