Hi Enrico,
The latest version of RDKit does not require flex or bison, thankfully.
In the attached file I list the commands that I used to build CMake
(2.8.12.2), Boost libraries (1.55) and RDKit (2014_03_1) on a CentOS 5.10
VM.
In my case I was using an Anaconda Python environment so I didn't have to
install NumPy, since it is bundled to it.
Best,
Christos
Christos Kannas
Researcher
Ph.D Student
Mob (UK): +44 (0) 7447700937
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On 24 July 2014 10:05, Enrico Perspicace <e.perspic...@mx.uni-saarland.de>
wrote:
>
> Dear all,
>
> I would like to install RDKit 2014 on Centos 5.10 (Final) but I did not
> succeed!
>
> I follow Instructions for Installation on RDKIT website but I got an error
> when I used cmake command line...
>
> Indeed, cmake is not able to find boost_python library.
>
> I installed: Python 2.7, atlas, lapack, blas, fftw3, numpy 1.8 via canopy
> 1.4.1 (and is working with python import numpy), boost 1.55, flex 2.5.35
> and bison 3.0.2 before performing the RDKit installation.
>
> I followed the procedure described here: https://www.mail-archive.com/
> rdkit-discuss@lists.sourceforge.net/msg01376.html
>
> Please find in attached document related files which describe my problem.
>
> Thanks a lot for you help.
>
> Best regards,
>
> Enrico Perspicace
>
>
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RDKit Installation on CentOS 5.10
=================================
first create some directories...
mkdir devel
cd devel/
mkdir boost
mkdir cmake
mkdir RDKit
Install CMake
-------------
cd cmake
wget http://www.cmake.org/files/v2.8/cmake-2.8.12.2.tar.gz
tar -xzvf cmake-2.8.12.2.tar.gz
cd cmake
cd cmake-2.8.12.2
./bootstrap
sudo make
sudo make install
ctest
Install Boost
-------------
cd boost
wget
http://sourceforge.net/projects/boost/files/boost/1.55.0/boost_1_55_0.tar.bz2/download
tar -xjvf boost_1_55_0.tar.bz2
cd boost_1_55_0
./bootstrap.sh --with-libraries=python,regex
Note: 64-bit OS
./b2 address-model=64 cflags=-fPIC cxxflags=-fPIC
Install RDKit
-------------
cd RDKit/
wget wget
http://downloads.sourceforge.net/project/rdkit/rdkit/Q1_2014/RDKit_2014_03_1.tgz
tar -xzvf RDKit_2014_03_1.tgz
cd RDKit_2014_03_1
mkdir build
cd build/
Note: I was using Anaconda Python environment
export PATH=~/anaconda/bin:$PATH
export RDBASE=~/devel/RDKit/RDKit_2014_03_1
export
LD_LIBRARY_PATH=/home/christos/devel/RDKit/RDKit_2014_03_1/lib:~/devel/boost/boost_1_55_0/stage/lib:$LD_LIBRARY_PATH
export PYTHONPATH=$RDBASE:$PYTHONPATH
cmake -D PYTHON_LIBRARY=~/anaconda/lib/python2.7/config/libpython2.7.a -D
PYTHON_INCLUDE_DIR=~/anaconda/include/python2.7/ -D
PYTHON_EXECUTABLE=~/anaconda/bin/python -D
BOOST_ROOT=~/devel/boost/boost_1_55_0 ..
make
make install
ctest
------------------------------------------------------------------------------
Want fast and easy access to all the code in your enterprise? Index and
search up to 200,000 lines of code with a free copy of Black Duck
Code Sight - the same software that powers the world's largest code
search on Ohloh, the Black Duck Open Hub! Try it now.
http://p.sf.net/sfu/bds
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