I'm using Ubuntu 16.04 and tried installing the RDKit from the official documentation.
I installed the pre-requisites, downloaded the zip file and extracted it to my folder. Made a build directory, entered it and I entered cmake .. and this was the output
-- Found Catch2 source in /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/catch/catch
CATCH: /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/catch/catch/single_include
CMake Warning at /home/krishna/anaconda3/share/cmake-3.12/Modules/FindBoost.cmake:1727 (message):
No header defined for python-py37; skipping header check
Call Stack (most recent call first):
CMakeLists.txt:236 (find_package)
PYTHON Py_ENABLE_SHARED: 0
PYTHON USING LINK LINE: -pthread -shared -Wl,-O2 -Wl,--sort-common -Wl,--as-needed -Wl,-z,relro -Wl,-z,now -Wl,-rpath,/home/krishna/anaconda3/lib -L/home/krishna/anaconda3/lib -Wl,-O2 -Wl,--sort-common -Wl,--as-needed -Wl,-z,relro -Wl,-z,now -Wl,-rpath,/home/krishna/anaconda3/lib -L/home/krishna/anaconda3/lib
-- Boost version: 1.58.0
-- Found the following Boost libraries:
-- serialization
== Using strict rotor definition
-- Found MAEParser source in /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/CoordGen/maeparser
-- Found coordgenlibs source in /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/CoordGen/coordgenlibs
== Updating Filters.cpp from pains file
== Done updating pains files
-- Found RapidJSON source in /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External
-- Configuring done
-- Generating done
-- Build files have been written to: /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/build
Later when i entered make I receive the following
[ 0%] Built target catch
[ 0%] Built target inchi_support
[ 0%] Building CXX object External/CoordGen/CMakeFiles/maeparser.dir/maeparser/MaeBlock.cpp.o
In file included from /home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/CoordGen/maeparser/MaeBlock.cpp:1:0:
/home/krishna/Coding/GitHub Projects/rdkit-Release_2018_09_1/External/CoordGen/maeparser/MaeBlock.hpp:3:10: fatal error: boost/dynamic_bitset.hpp: No such file or directory
#include <boost/dynamic_bitset.hpp>
^~~~~~~~~~~~~~~~~~~~~~~~~~
compilation terminated.
External/CoordGen/CMakeFiles/maeparser.dir/build.make:75: recipe for target 'External/CoordGen/CMakeFiles/maeparser.dir/maeparser/MaeBlock.cpp.o' failed
make[2]: *** [External/CoordGen/CMakeFiles/maeparser.dir/maeparser/MaeBlock.cpp.o] Error 1
CMakeFiles/Makefile2:275: recipe for target 'External/CoordGen/CMakeFiles/maeparser.dir/all' failed
make[1]: *** [External/CoordGen/CMakeFiles/maeparser.dir/all] Error 2
Makefile:162: recipe for target 'all' failed
make: *** [all] Error 2
I have installed the latest boost library, the bashrc file also has been updated to
export RDBASE=/rdkit-Release_2018_09_1/Release_2018_09_1
export LD_LIBRARY_PATH=$RDBASE/lib:$LD_LIBRARY_PATH
export PYTHONPATH=$RDBASE:$PYTHONPATH
export PATH=$PATH:/Coding/boost_1_69_0
Please help! What should be changed to successfully build the module?
