anchor.diff:  # build and install openbabel
   RUN git clone https://github.com/openbabel/openbabel.git; \
       cd openbabel; git checkout openbabel-3-1-1; mkdir build; cd build;  \
  -    cmake -DPTHREAD_LIBRARY=/lib64/libpthread_nonshared.a  -DBUILD_SHARED=OFF -DPYTHON_BINDINGS=OFF  -DWITH_COORDGEN=0 -DWITH_MAEPARSER=0 -DRUN_SWIG=OFF -DCMAKE_CXX_FLAGS="-std=c++14 -fPIC" -DCMAKE_CXX_COMPILER=/usr/bin/g++ -DCMAKE_C_COMPILER=/usr/bin/gcc ..;  \
  -    make -j4; make install
  +    cmake -DPTHREAD_LIBRARY=/lib64/libpthread.a  -DBUILD_SHARED=OFF -DPYTHON_BINDINGS=OFF  -DWITH_COORDGEN=0 -DWITH_MAEPARSER=0 -DRUN_SWIG=OFF -DCMAKE_CXX_FLAGS="-std=c++14 -fPIC" -DCMAKE_CXX_COMPILER=/usr/bin/g++ -DCMAKE_C_COMPILER=/usr/bin/gcc ..;  \
  +    make -j8; make install
   
   #for versioning need -C option of git
   RUN git clone https://github.com/git/git.git; \
  
positive.code:   /usr/local/lib/libsz.a \
    /usr/local/lib/libaec.a \
    /usr/local/cuda/lib64/libcudart_static.a  \
     /usr/local/cuda-10.2/targets/x86_64-linux/lib/libcudadevrt.a \
       -lm -lpthread -ldl -lrt 
  
  #./bin/gnina -r ../test/gnina/data/184l_rec.pdb -l ../test/gnina/data/184l_lig.sdf --autobox_ligand ../test/gnina/data/184l_lig.sdf --seed 0
  
negative.code:         --host x86_64-redhat-linux-gnu \
          --build x86_64-redhat-linux-gnu \ 
          --with-default-libstdcxx-abi=gcc4-compatible
  RUN cd gcc-${gcc_version}_build && make -j8
  RUN cd gcc-${gcc_version}_build && make install
  
  # register new libraries with `ldconfig`
  