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Move pytest config back to setup.cfg (#2017)
* Move `pytest` config back to `setup.cfg` * Debug * Downpin mypy
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+12
-23
lines changed

3 files changed

+12
-23
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.github/workflows/CI.yml

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@@ -20,7 +20,7 @@ jobs:
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name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, RDKit=${{ matrix.rdkit }}, OpenEye=${{ matrix.openeye }}
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runs-on: ${{ matrix.os }}
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strategy:
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fail-fast: false
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fail-fast: true # TODO: flip to false before merge
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matrix:
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os: [ubuntu-latest, macos-latest]
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python-version: ["3.10", "3.11", "3.12"]
@@ -37,7 +37,7 @@ jobs:
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env:
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OE_LICENSE: ${{ github.workspace }}/oe_license.txt
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PYTEST_ARGS: -r fE --tb=short -nauto
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COV: --cov=openff/toolkit --cov-append --cov-report=xml
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COV: --cov=openff/toolkit/ --cov-append --cov-report=xml
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steps:
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- uses: actions/checkout@v4
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run: |
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PYTEST_ARGS+=" --ignore=openff/toolkit/_tests/test_examples.py"
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PYTEST_ARGS+=" --ignore=openff/toolkit/_tests/test_links.py"
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if [[ "$GITHUB_EVENT_NAME" == "schedule" ]]; then
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PYTEST_ARGS+=" -m 'slow or not slow'"
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fi
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python -m pytest --durations=20 $PYTEST_ARGS $COV
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# TODO: Flip back to schedule condition before merge
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PYTEST_ARGS+=" --runslow"
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python -m pytest --durations=20 $PYTEST_ARGS $COV openff/toolkit/_tests
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- name: Run code snippets in docs
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if: ${{ matrix.rdkit == true && matrix.openeye == true }}

pyproject.toml

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Original file line numberDiff line numberDiff line change
@@ -45,23 +45,6 @@ select = ["I", "E", "F", "W", "NPY", "UP", "RUF"]
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known-third-party = ["openff.interchange", "openff.utilities", "openff.units"]
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known-first-party = ["openff.toolkit"]
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[tool.pytest.ini_options]
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testpaths = [
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"openff/toolkit/_tests/",
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]
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markers = [
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"slow: marks tests as slow"
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]
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addopts = '-m "not slow"'
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filterwarnings = [
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"ignore:Molecule.from_pdb_and_smiles.*deprecated in favor of .*from_pdb"
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]
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doctest_optionflags = [
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"ELLIPSIS",
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"DONT_ACCEPT_TRUE_FOR_1",
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"NORMALIZE_WHITESPACE",
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]
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[tool.coverage.run]
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omit = [
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"*/*/_tests/*",

setup.cfg

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@@ -0,0 +1,6 @@
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[tool:pytest]
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doctest_optionflags =
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ELLIPSIS
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DONT_ACCEPT_TRUE_FOR_1
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NORMALIZE_WHITESPACE
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testpaths = openff/toolkit/_tests/

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