ci: run script

.github/workflows/ci.yml

@@ -17,7 +17,7 @@ jobs:
         run: docker build -t my-image:latest .
 
       - name: Run Docker container
-        run: docker run my-image:latest
+        run: docker run -e API_KEY="test" my-image:latest
 
 #    defaults:
 #      run:

Dockerfile

@@ -7,12 +7,20 @@ RUN apt-get update && \
     apt-get install -y git ca-certificates && \
     apt-get clean
 # Clone this repository
-RUN git clone https://github.com/GT4SD/molecular-design.git
+RUN git clone --branch add-docker https://github.com/GT4SD/molecular-design.git
 
 WORKDIR /workspace/molecular-design
 
+RUN echo $API_KEY
+RUN ls
+
 # We need to use the pypi toxsmi package, not the default one
 RUN pip uninstall --yes toxsmi && pip install toxsmi && mkdir data
 
+RUN chmod +x example_pipeline.sh
+RUN ./example_pipeline.sh
+
+
+
 
 CMD ["bash"]