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Merge pull request #55 from openforcefield/test-smirnoff-plugins
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Test `smirnoff-plugins`
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mattwthompson authored Jan 24, 2024
2 parents 9f6e5f5 + 4beb3c2 commit 38d5f74
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11 changes: 10 additions & 1 deletion .github/workflows/stack.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -49,6 +49,13 @@ jobs:
repository: openforcefield/openff-recharge
path: openff-recharge

- name: Checkout SMIRNOFF plugins
uses: actions/checkout@v4
with:
repository: openforcefield/smirnoff-plugins
path: smirnoff-plugins
ref: minimize-with-sage

- name: Set up conda environment
uses: mamba-org/setup-micromamba@v1
with:
Expand All @@ -70,11 +77,13 @@ jobs:
python -m pip install -e \
openff-recharge/ \
openff-interchange/ \
openff-interchange/plugins/
openff-interchange/plugins/ \
smirnoff-plugins/
- name: Run 'everything all at once' tests
run: |
python -m pytest -nauto --rootdir=. --durations=20 \
smirnoff-plugins/smirnoff_plugins/_tests/ \
openff-recharge/openff/recharge/_tests/ \
openff-interchange/openff/interchange/_tests/ \
--ignore=openff-interchange/openff/interchange/_tests/test_parameter_plugins.py::test_force_field_custom_handler \
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4 changes: 2 additions & 2 deletions devtools/conda-envs/full.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@ dependencies:
- toml
- bson
- msgpack-python
- openeye-toolkits =2023.1
- openeye-toolkits =2023.2
- gromacs =2023.3=nompi_*_103
- intermol

Expand All @@ -31,7 +31,7 @@ dependencies:
- geometric =1

- pip:
- git+https://github.com/openforcefield/openff-toolkit.git@mm-metadata
- 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

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