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# This is the 1st commit message:

Add deployment tests

# This is the commit message #2:

Update

# This is the commit message #3:

Fix

# This is the commit message #4:

Trim down differences between environments

# This is the commit message #5:

Try to isolate crash

# This is the commit message #6:

Rename environment

# This is the commit message #7:

Further pare down environments

# This is the commit message #8:

Bump Python version

# This is the commit message #9:

Update environments

# This is the commit message #10:

Double check OpenEye license
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mattwthompson committed Jan 17, 2023
1 parent c0f1bad commit 1c81fa7
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87 changes: 87 additions & 0 deletions .github/workflows/deployment.yaml
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name: Deployment tests

on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
release:
types:
- released
- prereleased
schedule:
- cron: "0 0 * * *"
workflow_dispatch:

defaults:
run:
shell: bash -l {0}

jobs:
test:

name: ${{ matrix.os }}, 🐍=${{ matrix.python-version }}, 👁️=${{ matrix.openeye }}
runs-on: ${{ matrix.os }}

strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest]
python-version: ["3.9"]
openeye: ["true", "false"]

env:
OE_LICENSE: ${{ github.workspace }}/oe_license.txt

steps:
- uses: actions/checkout@v3

- name: Install latest release from conda with OpenEye Toolkits
if: ${{ matrix.openeye == 'true' }}
uses: mamba-org/provision-with-micromamba@main
with:
environment-file: devtools/conda-envs/deployment_openeye.yaml
extra-specs: |
python=${{ matrix.python-version }}
- name: Install latest release from conda without OpenEye Toolkits
if: ${{ matrix.openeye == 'false' }}
uses: mamba-org/provision-with-micromamba@main
with:
environment-file: devtools/conda-envs/deployment.yaml
extra-specs: |
python=${{ matrix.python-version }}
- name: License OpenEye Toolkits
if: ${{ matrix.openeye == true }}
env:
OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }}
run: |
echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()"
- name: Verify that the latest version was installed
run: |
cd /tmp/
export LATEST_TAG=$(git ls-remote --tags https://github.com/openforcefield/openff-bespokefit.git | cut -f2 | grep -E "([0-9]+)\.([0-9]+)\.([0-9]+)$" | sort --version-sort | tail -1 | sed 's/refs\/tags\///')
export FOUND_VER=$(python -c "import openff.bespokefit; print(openff.bespokefit.__version__)")
if [[ $LATEST_TAG != $FOUND_VER ]]; then
echo "Latest tag is"
echo $LATEST_TAG
echo "Found version is"
echo $FOUND_VER
echo "Version mismatch"
exit 1
fi
cd -
- name: Run tests
run: |
python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()"
python -m pytest -v openff/bespokefit/tests/executor/services/coordinator/test_app.py::test_get_molecule_image
11 changes: 11 additions & 0 deletions devtools/conda-envs/deployment.yaml
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name: latest-deployment
channels:
- conda-forge
dependencies:
- openff-bespokefit
- ambertools
- pytest
- pytest-cov
- pytest-asyncio
- pytest-celery
- requests-mock
12 changes: 12 additions & 0 deletions devtools/conda-envs/deployment_openeye.yaml
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name: latest-deployment-openeye
channels:
- conda-forge
- openeye
dependencies:
- openff-bespokefit
- openeye-toolkits
- pytest
- pytest-cov
- pytest-asyncio
- pytest-celery
- requests-mock

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