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Re-run CI #203

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Re-run CI #203

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6a44609
Re-run CI
mattwthompson Nov 15, 2022
5ae0067
Update Miniconda action
mattwthompson Nov 15, 2022
5e05118
Avoid installing old `importlib_metadata`
mattwthompson Nov 15, 2022
cfb4cdf
Debug
mattwthompson Nov 15, 2022
bdda5e4
Pin Starlette
mattwthompson Nov 15, 2022
fc9a9d9
Update devtools/conda-envs/no_openeye.yaml
j-wags Nov 15, 2022
19c090a
Clean up debug code
mattwthompson Nov 15, 2022
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4 changes: 2 additions & 2 deletions .github/workflows/CI.yaml
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Expand Up @@ -30,7 +30,7 @@ jobs:
- uses: actions/checkout@v3

- name: Install with OpenEye Toolkits
uses: conda-incubator/setup-miniconda@v2.1.1
uses: conda-incubator/setup-miniconda@v2
if: ${{ matrix.openeye == true }}
with:
python-version: ${{ matrix.python-version }}
Expand Down Expand Up @@ -81,7 +81,7 @@ jobs:
- name: Run Tests
shell: bash -l {0}
run: |
pytest -v --cov=openff --cov-config=setup.cfg openff/bespokefit/tests/ --cov-report=xml
pytest -v --cov=openff --cov-config=setup.cfg openff/bespokefit/tests/executor/services/coordinator/test_app.py::test_get_optimization --cov-report=xml

- name: Codecov
uses: codecov/codecov-action@v3.1.1
Expand Down
2 changes: 1 addition & 1 deletion .github/workflows/installer.yml
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Expand Up @@ -27,7 +27,7 @@ jobs:
steps:
- uses: actions/checkout@v3

- uses: conda-incubator/setup-miniconda@v2.1.1
- uses: conda-incubator/setup-miniconda@v2
with:
python-version: ${{ matrix.python-version }}
mamba-version: "*"
Expand Down
4 changes: 2 additions & 2 deletions devtools/conda-envs/docs-env.yaml
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Expand Up @@ -18,7 +18,7 @@ dependencies:
- click-option-group
- rdkit
- openff-utilities
- openff-toolkit-base >=0.10.0
- openff-toolkit-base >=0.10.6
- openff-forcefields
- openff-qcsubmit
- openmm >=7.6.0
Expand All @@ -35,7 +35,7 @@ dependencies:
- qcelemental >=0.24.0
- qcengine >=0.21.0
- chemper
- geometric
- geometric <1
- torsiondrive
- pymbar <4

Expand Down
7 changes: 5 additions & 2 deletions devtools/conda-envs/no_openeye.yaml
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Expand Up @@ -37,13 +37,13 @@ dependencies:
- qcelemental >=0.24.0
- qcengine >=0.23.0
- chemper
- geometric
- geometric <1
- torsiondrive
- pymbar <4

# Executor
- uvicorn
- fastapi
- starlette =0.20 # https://github.com/openforcefield/openff-bespokefit/pull/203#issuecomment-1315936000
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- celery
- httpx
- redis-server
Expand All @@ -57,3 +57,6 @@ dependencies:
- pytest-celery
- codecov
- requests-mock

- importlib-metadata >=4
- importlib_metadata >=4
6 changes: 5 additions & 1 deletion devtools/conda-envs/test-env.yaml
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Expand Up @@ -39,13 +39,14 @@ dependencies:
- qcelemental >=0.24.0
- qcengine >=0.23.0
- chemper
- geometric
- geometric <1
- torsiondrive
- pymbar <4

# Executor
- uvicorn
- fastapi
- starlette =0.20 # https://github.com/openforcefield/openff-bespokefit/pull/203#issuecomment-1315936000
- celery
- httpx
- redis-server
Expand All @@ -59,3 +60,6 @@ dependencies:
- pytest-celery
- codecov
- requests-mock

- importlib-metadata >=4
- importlib_metadata >=4