Re: [Rdkit-devel] Undefined symbol error

2016-05-20 Thread Riccardo Vianello
Hi Mike, On Thu, May 19, 2016 at 5:11 PM, Waldron, Michael H wrote: > I just installed RDkit on our linux (RHEL-5) cluster using the conda > installation method. The installation ran smoothly, and I run 'source > activate my-rdkit-env' to set the environment. > the linux packages that are availa

Re: [Rdkit-devel] More build fun with RHEL 6

2016-04-15 Thread Riccardo Vianello
Hi all, Maybe the centos6 rpms could be build with a dependency from the software collections repository ( https://wiki.centos.org/AdditionalResources/Repositories/SCL)? Gianluca, do you know if this could be a viable solution? Best, Riccardo ​

Re: [Rdkit-devel] [Rdkit-announce] 2015.09 (Q3 2015) RDKit Release

2015-11-23 Thread Riccardo Vianello
​Dear all, RDKit 2015.09.2 conda packages for linux and win-64 are now available for download from the rdkit channel on anaconda.org. This build includes python3 packages for windows too (thanks Paolo Tosco for help building boost). I'll send an update when win-32 pkgs are also online. Best, Ricc

Re: [Rdkit-devel] Install RDKit

2015-01-30 Thread Riccardo Vianello
Hi Soren, until recently, boost packages were not provided by the anaconda distribution, and this is basically the reason we provide recipes to build boost too. When a few weeks ago boost packages targeting version 1.57.0 have been added to the conda default channels (for linux and windows at leas

Re: [Rdkit-devel] 2014.09 (Q3 2014) RDKit Release

2014-11-06 Thread Riccardo Vianello
Dear all, Some updated conda packages for the 2014.09 release are also now available from the RDKit channel on binstar: https://binstar.org/rdkit/ In particular, python 2.6, 2.7 and 3.4 versions of the RDKit toolkit, and an updated version of the RDKit-PostgreSQL cartridge are available for linux

Re: [Rdkit-devel] 2011.12 (Q4 2011) RDKit release

2012-03-06 Thread Riccardo Vianello
Hi, >> 1. Running the test-suite in-place is either impossible or really tricky >> as the cmake puts the compiled objects below obj-* and leaves the python >> code (including the .pyc byte-code files) in the main source tree.  I >> had to give up and just copy over rdkit recursively into obj-*. >