diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 280ea828..d68e1613 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -24,6 +24,14 @@ jobs: strategy: fail-fast: false matrix: + cfg: + - { os: macOS-latest, python-version: '3.8', openmm: dev } + - { os: windows-latest, python-version: '3.8.10', openmm: dev } + - { os: ubuntu-latest, python-version: '3.9', openmm: dev } + - { os: ubuntu-latest, python-version: '3.10', openmm: dev } + + env: + OPENMM: ${{ matrix.cfg.openmm }} python-version: ["3.9", "3.10"] openmm: ["7.7", "8.0"] os: [macOS-latest, ubuntu-latest] @@ -34,20 +42,11 @@ jobs: python-version: "3.10" os: ubuntu-latest pymbar-version: "4" - # Test newest python, openmm, and pymbar we support on windows - - openmm: "8.0" - python-version: "3.10" - os: windows-latest - pymbar-version: "4" # Have one job test pymbar 3 support - - openmm: "8.0" + - openmm: "dev" python-version: "3.10" os: ubuntu-latest pymbar-version: "3" - exclude: - # There are no py 3.10 builds of openmm 7.7 - - openmm: "7.7" - python-version: "3.10" steps: - uses: actions/checkout@v3 @@ -62,26 +61,13 @@ jobs: uses: mamba-org/provision-with-micromamba@main if: ${{ matrix.openmm == 'dev' }} with: - channels: jaimergp/label/unsupported-cudatoolkit-shim,conda-forge/label/openmm_dev/linux-64,conda-forge + channels: jaimergp/label/unsupported-cudatoolkit-shim,conda-forge/label/openmm_rc,conda-forge environment-file: devtools/conda-envs/test_env.yaml channel-priority: flexible environment-name: openmmtools-test extra-specs: | python==${{ matrix.python-version }} - openmm==8.0.0dev3 - pymbar==${{ matrix.pymbar-version }}.* - - - name: Setup micromamba - uses: mamba-org/provision-with-micromamba@main - if: ${{ matrix.openmm != 'dev' }} - with: - channels: jaimergp/label/unsupported-cudatoolkit-shim,conda-forge - environment-file: devtools/conda-envs/test_env.yaml - channel-priority: strict - environment-name: openmmtools-test - extra-specs: | - python==${{ matrix.python-version }} - openmm==${{ matrix.openmm }} + openmm==8.1 pymbar==${{ matrix.pymbar-version }}.* - name: Install package