Hi there,
here's a compiling problem when trying to setup the latest trunk:
I wrote a small sh-script for (re-)installing RDKit on Ubuntu.
This script worked very well, until I tried to get the latest trunk on
Friday.
For anti-spam-reasons I attached the script which should describe my
procedure
reasonably well:
I downloaded the trunk on Friday,
then removed the old /opt/RDKit and copied the new one in it's place
commented out the copy-related lines in the script (as they are not
useful here)
and ran the script.
on my Laptop this worked very well, not so on my Desktop.
i get a bunch of errors stating
failed gcc.compile.c++ ...<nearly every RDKit Directory>
even bjam invoked in the /usr/local/src/boost_1_34_1/boost directory
throws errors.
I have to inform you that I had reinstalled my whole compiler suite
some weeks ago, but I think that all neccesary packages, the compilers
as well,
are installed in the first step of the script, aren't they?
Thanks in advance for the help,
Markus
# run this script as root!
# usage: install_RDkit
apt-get install python-dev g++ gfortran lapack3-* flex bjam bison boost-build
libboost-* pyste python-yapgvb vflib2 vflib2-* vflib3 vflib3-* python-imaging
python-egenix-mx-base-dbg python-numpy-ext
export RDBASE=/opt/RDKit
export BOOST=/usr/local/src/boost_1_34_1
export BOOSTHOME=/usr/local/src/boost_1_34_1
export BOOST_BUILD_PATH=$BOOSTHOME
export PYTHON_ROOT=/usr/lib/
export PYTHON_VERSION=2.5
export PYTHONPATH=/opt/RDKit/Python
export LD_LIBRARY_PATH=/opt/RDKit/bin
#echo "
##RDKit-Stuff
#export $RDBASE=/opt/RDKit/"
#export PYTHONPATH=/opt/RDKit/Python:$PYTHONPATH
#export LD_LIBRARY_PATH=/opt/RDKit/bin:$LD_LIBRARY_PATH" | tee -a
/etc/bash.bashrc
echo "
RDBASE= $RDBASE
BOOST= $BOOST
BOOSTHOME= $BOOSTHOME
BOOST_BUILD_PATH= $BOOST_BUILD_PATH
PYTHON_ROOT= $PYTHON_ROOT
PYTHON_VERSION= $PYTHON_VERSION
PYTHONPATH= $PYTHONPATH
LD_LIBRARY_PATH= $LD_LIBRARY_PATH
"
#cp -r /myshare/RDKit/RDKit /opt
#cp -r /myshare/RDKit/boost_1_34_1 /usr/local/src
cd /usr/local/src/boost_1_34_1/boost
echo "
...running bjam --with-thread --with-python release install from $PWD
"
bjam --with-thread --with-python release install
cd /opt/RDKit/Code
echo "
... running bjam from $PWD
"
bjam
echo "
...now running the tests:
"
cd $RDBASE/Code
python $RDBASE/Python/TestRunner.py test_list.py
#Here's what you need to uninstall
#bjam --clean
#cd /usr/local/src/boost_1_34_1/
#bjam --clean
#rm -rf /usr/local/include/boost-1_34_1 /usr/local/src/boost /opt/RDKit
/usr/local/src/boost_1_34_1/
