Re: [Rdkit-devel] Install RDKit

2015-01-30 Thread Soren Wacker
. Now, my old version is messed up, and I cannot use the new version :-( kind regards Sören From: Soren Wacker [swac...@ucalgary.ca] Sent: Friday, January 30, 2015 12:26 PM To: Riccardo Vianello Cc: RDKit Developers List; Greg Landrum Subject: Re: [Rdkit-devel

Re: [Rdkit-devel] Install RDKit

2015-01-30 Thread Soren Wacker
From: Riccardo Vianello [riccardo.viane...@gmail.com] Sent: Friday, January 30, 2015 4:44 AM To: Soren Wacker Cc: Greg Landrum; RDKit Developers List Subject: Re: [Rdkit-devel] Install RDKit Hi Soren, until recently, boost packages were not provided by the anaconda

Re: [Rdkit-devel] Install RDKit

2015-01-29 Thread Soren Wacker
I tried that. I was able to compile rdkit, apparently just by typing conda build boost conda build rdkit but, when I use that build I get from rdkit import rdBase > ImportError: libboost_python.so.1.54.0: cannot open shared object file: No > such file or directory strange thing is, that anac

Re: [Rdkit-devel] Install RDKit

2015-01-29 Thread Soren Wacker
[greg.land...@gmail.com] Sent: Wednesday, January 28, 2015 10:32 PM To: Soren Wacker Cc: RDKit Developers List Subject: Re: [Rdkit-devel] Install RDKit Hi Soren, On Thu, Jan 29, 2015 at 2:03 AM, Soren Wacker mailto:swac...@ucalgary.ca>> wrote: I would highly appreciate a conda install rdki

Re: [Rdkit-devel] Install RDKit

2015-01-28 Thread Soren Wacker
From: Paul Emsley [pems...@mrc-lmb.cam.ac.uk] Sent: Wednesday, January 28, 2015 3:13 PM To: rdkit-devel@lists.sourceforge.net Subject: Re: [Rdkit-devel] Install RDKit On 28/01/15 20:14, Soren Wacker wrote: Hi, I want to install RDKit to a certain directory. However, when I am in the source

[Rdkit-devel] Install RDKit

2015-01-28 Thread Soren Wacker
Hi, I want to install RDKit to a certain directory. However, when I am in the source directory and do md build cd build cmake .. -DCMAKE_INSTALL_PREFIX=/home/.../Programme/RDKit make make install RDKit is build and installed, but not to the directory. Where is RDKit then located? And why is it

Re: [Rdkit-devel] [Rdkit-discuss] 2014.03 (Q1 2014) RDKit release

2014-05-26 Thread Soren Wacker
I would appreciate RPMs for Fedora. best -- Dr. Soeren Wacker Centre For Molecular Simulation, BI # 547 The University of Calgary 2500 University Drive (NW) Calgary, Alberta Canada, T2N 1N4 Tel.: ++1 (403) 210 7860 Email: swac...@ucalgary.ca From: GALLY Jose Man