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Add more tests #81

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Add more tests #81

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eadcf2e
Add more tests
mattwthompson Aug 21, 2024
0f154db
Use branch of Fragmenter
mattwthompson Aug 21, 2024
757b8f4
Typo
mattwthompson Aug 21, 2024
568ebb2
Add back toolkit tests to see what fails
mattwthompson Aug 21, 2024
1086562
Kick tests
mattwthompson Aug 27, 2024
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8 changes: 7 additions & 1 deletion .github/workflows/full-stack.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@ jobs:

env:
OE_LICENSE: ${{ github.workspace }}/oe_license.txt
PYTEST_ARGS: -n logical --rootdir=. --durations=20
PYTEST_ARGS: -n logical --rootdir=. --durations=20 -v

steps:
- uses: actions/checkout@v4
Expand All @@ -54,6 +54,7 @@ jobs:
with:
repository: openforcefield/openff-fragmenter
path: openff-fragmenter
ref: no-duplicate-runslow

- name: Checkout SMIRNOFF plugins
uses: actions/checkout@v4
Expand Down Expand Up @@ -95,13 +96,18 @@ jobs:
openff-qcsubmit/ \
openff-units/ \
openff-models/ \
openff-fragmenter/ \
smirnoff-plugins/

- name: Run 'everything all at once' tests
run: |
python -m pytest $PYTEST_ARGS \
smirnoff-plugins/smirnoff_plugins/_tests/ \
openff-toolkit/openff/toolkit/_tests/ \
openff-interchange/openff/interchange/_tests/ \
openff-models/openff/models/_tests/ \
openff-units/openff/units/_tests/ \
Comment on lines +108 to +109
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This is largely motivated by an attempt to ensure openforcefield/openff-units#84 doesn't cause any downstream effects we haven't already detected

openff-fragmenter/openff/fragmenter/_tests/ \
--ignore=smirnoff-plugins/smirnoff_plugins/_tests/handlers/test_nonbonded.py \
--ignore=openff-interchange/openff/interchange/_tests/unit_tests/components/test_packmol.py \
--ignore=openff-interchange/openff/interchange/_tests/test_parameter_plugins.py::test_force_field_custom_handler \
Expand Down
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