diff --git a/.github/workflows/stack.yaml b/.github/workflows/stack.yaml index e2f011c..7138b63 100644 --- a/.github/workflows/stack.yaml +++ b/.github/workflows/stack.yaml @@ -18,7 +18,7 @@ jobs: fail-fast: false matrix: os: [macOS-latest, ubuntu-latest] - python-version: ["3.9", "3.10"] + python-version: ["3.9", "3.10", "3.11", "3.12"] env: CI_OS: ${{ matrix.os }} @@ -30,18 +30,8 @@ jobs: # Each of these checkouts can be done on a feature branch # https://github.com/actions/checkout#checkout-a-different-branch - - name: Checkout OpenFF Toolkit - uses: actions/checkout@v4 - with: - repository: openforcefield/openff-toolkit - path: openff-toolkit - - - name: Checkout OpenFF Evaluator - uses: actions/checkout@v4 - with: - repository: openforcefield/openff-evaluator - path: openff-evaluator - + # Only check out the repos whose tests directly run; development + # installs of other packages are brought in via pip via micromamba - name: Checkout OpenFF Interchange uses: actions/checkout@v4 with: @@ -56,14 +46,9 @@ jobs: - name: Install most recent development versions run: | - micromamba remove --force openff-interchange -y micromamba remove --force openff-evaluator -y - micromamba remove --force openff-toolkit -y python -m pip install -e \ - openff-toolkit/ \ - openff-toolkit/utilities/test_plugins/ \ - openff-evaluator/ \ openff-interchange/ \ openff-interchange/plugins/ diff --git a/devtools/conda-envs/full.yaml b/devtools/conda-envs/full.yaml index e015fd0..4bad379 100644 --- a/devtools/conda-envs/full.yaml +++ b/devtools/conda-envs/full.yaml @@ -4,9 +4,9 @@ channels: dependencies: - python - pip - - openff-toolkit =0.14.4 + - openff-toolkit =0.14.5 - openff-evaluator - - openff-interchange =0.3.13 + - openff-interchange =0.3.18 - pymbar - pytest - pytest-randomly @@ -25,3 +25,8 @@ dependencies: # foyer # needs a release >0.12.0 - mdanalysis - intermol + - pip: + - git+https://github.com/openforcefield/openff-toolkit.git@main + - git+https://github.com/openforcefield/openff-utilities.git@main + - git+https://github.com/openforcefield/openff-units.git@main + - git+https://github.com/openforcefield/openff-models.git@main