diff --git a/.github/workflows/full-stack.yaml b/.github/workflows/full-stack.yaml index f67fb1a..2afb4a7 100644 --- a/.github/workflows/full-stack.yaml +++ b/.github/workflows/full-stack.yaml @@ -15,11 +15,10 @@ jobs: runs-on: ${{ matrix.os }} strategy: - fail-fast: false matrix: os: - "ubuntu-latest" - - "macos-latest" # this is probably macos-14 + - "macos-latest" python-version: - "3.10" - "3.11" @@ -27,7 +26,7 @@ jobs: env: OE_LICENSE: ${{ github.workspace }}/oe_license.txt - PYTEST_ARGS: -x -n logical --rootdir=. --durations=20 + PYTEST_ARGS: -v -n logical --rootdir=. --durations=20 steps: - uses: actions/checkout@v4 @@ -57,6 +56,7 @@ jobs: with: repository: openforcefield/openff-fragmenter path: openff-fragmenter + ref: no-duplicate-runslow - name: Checkout OpenFF Units uses: actions/checkout@v4 @@ -64,12 +64,6 @@ jobs: repository: openforcefield/openff-units path: openff-units - - name: Checkout SMIRNOFF plugins - uses: actions/checkout@v4 - with: - repository: openforcefield/smirnoff-plugins - path: smirnoff-plugins - - name: Checkout OpenFF Utilities uses: actions/checkout@v4 with: @@ -94,22 +88,23 @@ jobs: openff-interchange/plugins/ \ openff-qcsubmit/ \ openff-units/ \ - openff-utilities/ \ - smirnoff-plugins/ + openff-units/downstream_dummy/ \ + openff-fragmenter/ \ + openff-utilities/ pip list - name: Run 'everything all at once' tests run: | - python -m pytest $PYTEST_ARGS -m "not leaky" \ - smirnoff-plugins/smirnoff_plugins/_tests/ \ - openff-utilities/openff/utilities/_tests/ \ - openff-interchange/openff/interchange/_tests/ \ - --ignore=openff-interchange/openff/interchange/_tests/unit_tests/components/test_packmol.py + python -m pytest $PYTEST_ARGS . \ + --ignore=openff-utilities/openff/utilities/_tests/test_provenance.py \ + --ignore=openff-qcsubmit - name: Run QC-adjacent tests run: | - python -m pytest $PYTEST_ARGS \ - openff-qcsubmit/openff/qcsubmit/_tests/ \ + # rm openff-interchange/ openff-toolkit/ openff-units/ openff-utilities/ + # micromamba install openff-qcsubmit -c conda-forge -y + pytest $PYTEST_ARGS . \ + openff-qcsubmit/ \ --ignore=openff-qcsubmit/openff/qcsubmit/_tests/test_submissions.py - name: Run NAGL tests via pyargs diff --git a/devtools/conda-envs/full-stack.yaml b/devtools/conda-envs/full-stack.yaml index 189124d..77524a9 100644 --- a/devtools/conda-envs/full-stack.yaml +++ b/devtools/conda-envs/full-stack.yaml @@ -8,7 +8,6 @@ dependencies: - openff-toolkit - openff-fragmenter - openff-interchange - - smirnoff-plugins - pymbar - pytest - pytest-randomly