Merge pull request #41 from CCPBioSim/jimboid-patch-1

Update Dockerfile to change openbabel installation

Author: jimboid

docker/Dockerfile

@@ -11,7 +11,8 @@ WORKDIR $HOME
 
 # Install workshop deps
 RUN mamba install oddt::oddt -y
-RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas openbabel vina
+RUN pip install openbabel-wheel
+RUN mamba install termcolor numpy=2.3.5 matplotlib seaborn pandas vina
 
 # Get workshop files and move them to jovyan directory.
 COPY --chown=1000:100 . .