Hi there,
I’ve been building the Python RDKit modules direct from the GitHub repository
recently on an Ubuntu 14.04 LTS VM (i.e. git clone
https://github.com/rdkit/rdkit.git).
I use the following aptitude packages for the build process:
flex 2.5.35-10.1ubuntu2
bison 2:3.0.2.dfsg-2
build-essential 11.6ubuntu6
cmake 2.8.12.2-0ubuntu3
libboost-dev 1.54.0.1ubuntu1
libboost-regex-dev 1.54.0.1ubuntu1
python-dev 2.7.5-5ubuntu3
libboost-python-dev 1.54.0.1ubuntu1
python-numpy 1:1.8.2-0ubuntu0.1
The build process is as follows:
git clone https://github.com/rdkit/rdkit.git rdkit-latest
source /opt/virtualenv/current/bin/activate
export RDBASE=/path/to/rdkit-latest
cd rdkit-latest
mkdir build
cd build
cmake ..
make -j 2
make install
cd ..
cp -r rdkit /opt/virtualenv/current/lib/python2.7/site-packages
mkdir /opt/virtualenv/current/lib/python2.7/lib-rdkit
cp lib/* /opt/virtualenv/current/lib/python2.7/lib-rdkit
I have recently been experiencing this error:
Python 2.7.10 (default, Nov 20 2015, 07:14:39)
[GCC 4.8.4] on linux2
Type "help", "copyright", "credits" or "license" for more information.
>>> from rdkit import rdBase
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ImportError: /opt/virtualenv/current/lib/python2.7/lib-rdkit/libRDBoost.so.1:
undefined symbol: _ZN5boost6python23throw_error_already_setEv
It looks like this error starts appearing from this commit onwards:
https://github.com/rdkit/rdkit/commit/9965702691b039c936c3fcca579fbd9ded8f5331
<https://github.com/rdkit/rdkit/commit/9965702691b039c936c3fcca579fbd9ded8f5331>
Any ideas?
Many thanks as ever.
Huw Jones
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
