Re: [Rdkit-discuss] Updates to the build system

2010-09-15 Thread Paul Emsley
On 15/09/10 05:38, Greg Landrum wrote:
 Dear all,

 Thanks to some really great help from Gianluca Sforna and Riccardo
 Vianello, the RDKit build system has been updated to make installing
 the software in standard locations (like /usr/local on linux machines)
 easier. The changes should also make it possible for the RDKit to be
 packaged for integration with linux distributions, which will make it
 lot easier for people who don't want to have to think about compiling
 things to install the RDKit. This is exciting news.

 There are instructions for the updated build system here:
 http://code.google.com/p/rdkit/wiki/NewLinuxBuild

 Please note that the default behavior should be basically the same as
 the previous system, so the following should still work:
 % mkdir build; cd build
 % cmake ..
 % make install

 The only difference should be that you need to add $RDBASE/lib to
 LD_LIBRARY_PATH instead of $RDBASE/bin

 It would be really, really helpful if people could try out the new
 system and let us know how it works.


Thanks - this is a substantial step forward in convenience.

Works great.  I am using this system now to compile and link with my app.

Cheers,

Paul.


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[Rdkit-discuss] cmake does not find my boost libraries

2010-09-15 Thread Jef K

Hi all,
 
I am using a Linux machine which has an old version of boost.
I am trying to install RDKit following these instructions
 
http://code.google.com/p/rdkit/wiki/BuildingWithCmake
 
Everything went OK in the Building the Code section.
I did :
 
./bootstrap.sh --with-libraries=python,regex --prefix=/home/me/progs/
./bjam address-model=64 cflags=-fPIC cxxflags=-fPIC install
 
Then I set the environment variables in my bash_profile file.
 
=
#
PATH=$HOME/progs/bin:$PATH
 
# RDKIT
export RDBASE=$RDBASE:/home/me/download/RDKit_Q22010_1
export 
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RDBASE/bin:/home/me/download/boost_1_44_0:/home/me/progs/
 
# python
export 
PYTHONPATH=$PYTHONPATH:/home/me/work/code/python/general:/home/me/work/code/python:/home/me/progs/lib/python2.5/site-packages:$RDBASE
 
#
LANG=C
 
#
TERM=linux
export TERM
 
==
 
Then  I tried
 
cmake ..
cmake -DBOOST_ROOT=/home/me/progs/ ..
cmake -DBOOST_ROOT=/home/me/download/boost_1_44_0 ..
 
I also tried to set the BOOST_ROOT variable in my bach_profile.
 
All of these attempts gave the same error message
 

 
CMake Error at /home/me/progs/share/cmake-2.8/Modules/FindBoost.cmake:910 
(message):
  Unable to find the requested Boost libraries.
 
  Boost version: 1.33.1
 
  Boost include path: /usr/include
 
  Detected version of Boost is too old.  Requested version was 1.39 (or
  newer).
 
  The following Boost libraries could not be found:
 
  boost_python
 
  No Boost libraries were found.  You may need to set Boost_LIBRARYDIR to the
  directory containing Boost libraries or BOOST_ROOT to the location of
  Boost.
Call Stack (most recent call first):
  CMakeLists.txt:47 (find_package)
 
 
CMake Error at /home/me/progs/share/cmake-2.8/Modules/FindBoost.cmake:910 
(message):
  Unable to find the requested Boost libraries.
 
  Boost version: 1.33.1
 
  Boost include path: /usr/include
 
  Detected version of Boost is too old.  Requested version was 1.39 (or
  newer).
 
  The following Boost libraries could not be found:
 
  boost_regex
 
  No Boost libraries were found.  You may need to set Boost_LIBRARYDIR to the
  directory containing Boost libraries or BOOST_ROOT to the location of
  Boost.
Call Stack (most recent call first):
  Code/GraphMol/SLNParse/CMakeLists.txt:5 (find_package)
 
 
-- Configuring incomplete, errors occurred!
 

 
So cmake does not find my boost libraries. This is a very trivial error,
but I can't figure out what I did wrong in the installation instructions.
 
I would greatly appreciate any help.
 
Thanks,
 
Jef
  
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