test docker image and fix missing deps

choderalab · Jul 5, 2023 · 9ae2e70 · 9ae2e70
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commit 9ae2e70
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diff --git a/.github/workflows/docker-dev.yaml b/.github/workflows/docker-dev.yaml
@@ -102,7 +102,7 @@ jobs:
           echo "${{ secrets.OE_LICENSE }}" > oe_license_dir/oe_license.txt
           docker run --rm ${{ steps.fqirp.outputs.FQIRP }} perses-cli --help
           # Mount oe_license_dir (which should have the license file) to /openeye on container for testing
-          #docker run -e GITHUB_ACTIONS=true --mount type=bind,source=$PWD/oe_license_dir/,target=/openeye/,readonly --rm ${{ steps.fqirp.outputs.FQIRP }} pytest --pyargs perses -a "not advanced" -n auto -m "not gpu_needed" -v
+          docker run -e GITHUB_ACTIONS=true --mount type=bind,source=$PWD/oe_license_dir/,target=/openeye/,readonly --rm ${{ steps.fqirp.outputs.FQIRP }} pytest --pyargs perses -a "not advanced" -n auto -m "not gpu_needed" -v
 
       - name: Push Docker image
         uses: docker/build-push-action@ad44023a93711e3deb337508980b4b5e9bcdc5dc

diff --git a/docker/Dockerfile b/docker/Dockerfile
@@ -11,7 +11,7 @@ ARG VERSION
 # https://docs.python.org/3/using/cmdline.html#cmdoption-u
 ENV PYTHONUNBUFFERED=1
 
-RUN micromamba install -y -n base -c conda-forge -c openeye openeye-toolkits git "perses==$VERSION" cudatoolkit==11.7 && \
+RUN micromamba install -y -n base -c conda-forge -c openeye openeye-toolkits git pytest-xdist pytest-attrib "perses==$VERSION" cudatoolkit==11.7 && \
     micromamba clean --all --yes
 
 # Make directory and tell openeye where to find