Hi,
I have it working now. Two problems were causing the errors.
1) I hadn’t fully purged the RDKit libraries from an earlier apt-get
install.
2) I had assumed that LD_LIBRARY_PATH being set in the usual places (such
as ~/.bashrc) would work.
It seems Ubuntu has a “feature” whereby LD_LIBRARY_PATH is automatically reset.
To get RDKit to work, one needs to add an entry to /etc/ld.so.conf.d/ and do
‘sudo ldconfig’.
Cheers,
Steve.
From: JP [mailto:jeanpaul.ebe...@inhibox.com]
Sent: 17 February 2015 20:43
To: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] RDKit compile is successful, but python does see
RDKit?
Hi Stephen,
As Christos pointed out, it is almost always the environment variables which
get you. What is the error message you are getting?
Some installation instructions specific for Ubuntu may be found at (work and
tested till version 14.04):
http://www.blopig.com/blog/2013/02/how-to-install-rdkit-on-ubuntu-12-04/
Take Care,
JP
-
Jean-Paul Ebejer
Early Stage Researcher
On 17 February 2015 at 17:20, Stephen O'hagan
<soha...@manchester.ac.uk<mailto:soha...@manchester.ac.uk>> wrote:
Hi,
On one our Ubuntu machines, I’ve installed RDKit (compiled from source to get
the latest version); ctest passed all tests.
Cmake seemed to detect the correct python version and boost libs.
However, python does not see the RDkit module(s).
Any ideas what might be going wrong?
====================
Dr. Steve O'Hagan,
Computer Officer,
Bioanalytical Sciences Group,
School of Chemistry,
Manchester Institute of Biotechnology,
University of Manchester,
131, Princess St,
MANCHESTER M1 7DN.
Email: soha...@manchester.ac.uk<mailto:soha...@manchester.ac.uk>
Phone: 0161 306 4562
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