Hi all,

I thought I'd share a script I wrote to build RDKit and Boost together which 
has worked for me on Linux (CentOS) and Mac machines so far.  I run RDKit in a 
virtualenv Python environment (not in anaconda), so this may only be helpful 
for a small group of RDKitters.  Hopefully some of you do find this useful - it 
has personally saved me a lot of time getting RDKit installed on multiple 

Note: please skim through the script to make sure you know what variables 
inside it are set to what before running - there are multiple ways to specify 
what code to build that may be useful for different purposes (and some are 
commented out).

Make sure you pip install numpy before running (I should probably just add this 
to the script).

Also, I have only tested this on RDKit 2016_09_3 and Boost 1_63_0.

 - Kovas

Attachment: build_rdkit.sh
Description: build_rdkit.sh

Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
Rdkit-discuss mailing list

Reply via email to