anchor.diff:  # WARNING this takes about an hour to build
   
   RUN apt-get update && apt-get install -y \
  - flex\
  - bison\
    build-essential\
    python-numpy\
    cmake\
  
positive.code: 
  RUN mkdir $RDBASE/build
  WORKDIR $RDBASE/build
  RUN cmake -D RDK_BUILD_SWIG_WRAPPERS=ON .. 
  RUN make
  RUN make install
  
  ENV LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RDBASE/lib:/rdkit/lib:$RDBASE/Code/JavaWrappers/gmwrapper
  ENV PYTHONPATH=$PYTHONPATH:$RDBASE
  ENV CLASSPATH=$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar
  
  
negative.code:  libsqlite3-dev\
   libboost-dev\
   libboost-python-dev\
   libboost-system-dev\
   libboost-thread-dev\
   libboost-serialization-dev\
   libboost-regex-dev\
   swig2.0\
   git\
   openjdk-8-jdk\
   curl 
  
  ENV RDKIT_BRANCH=master
  RUN git clone -b $RDKIT_BRANCH --single-branch https://github.com/rdkit/rdkit.git
  