diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index fc039385d..2a54bd2e7 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -30,7 +30,7 @@ defaults: jobs: tests: runs-on: ${{ matrix.os }} - name: "💻-${{matrix.os }} 🐍-${{ matrix.python-version }} 🗃️${{ matrix.pydantic-version }} oechem: ${{ matrix.openeye }}" + name: "💻-${{matrix.os }} 🐍-${{ matrix.python-version }} 🗃️${{ matrix.pydantic-version }} oechem-${{ matrix.openeye }} gufe-${{ matrix.gufe-version }}" strategy: fail-fast: false matrix: @@ -41,22 +41,34 @@ jobs: - "3.11" - "3.12" openeye: ["no"] + gufe-version: ['a9b5982471eb3644ca8c4423c7001e6309a3f544'] include: - os: "macos-latest" python-version: "3.12" pydantic-version: ">1" + gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544' - os: "ubuntu-latest" python-version: "3.11" pydantic-version: "<2" + gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544' - os: "ubuntu-latest" python-version: "3.11" pydantic-version: ">1" openeye: "yes" + gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544' - os: "macos-latest" python-version: "3.12" pydantic-version: ">1" omff-version: ">0.13" openeye: ["no"] + gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544' + + # temporary test against gufe main while we're pinned to a9b5 + - os: "ubuntu-latest" + python-version: "3.11" + pydantic-version: ">1" + openeye: "yes" + gufe-version: 'main' env: OE_LICENSE: ${{ github.workspace }}/oe_license.txt @@ -96,8 +108,9 @@ jobs: micromamba install -c openeye openeye-toolkits python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'oechem license check failed!'" - - name: "Install GUFE from main@HEAD" - run: python -m pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe@main + - name: "Install GUFE at {{ matrix.gufe-version }}" + if: ${{ matrix.gufe-version != 'main' }} + run: python -m pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe@${{ matrix.gufe-version }} - name: "Install" run: python -m pip install --no-deps -e .