Sorry, I mixed something up.
I will try what you suggested, I think I actually did not do the installation
in the environment.
Please, add a corresponding comment here:
https://github.com/rdkit/conda-rdkit
It is not mentioned that you have to do
conda install boost
conda install rdkit
in the environment.
Thanks
Soren
--
Dr. Soren Wacker
Centre For Molecular Simulations, BI # 547
The University of Calgary
2500 University Drive (NW)
Calgary, Alberta
Canada, T2N 1N4
Tel.: ++1 (403) 210 7860
Email: [email protected]
________________________________
From: Soren Wacker [[email protected]]
Sent: Tuesday, March 17, 2015 11:33 AM
To: Greg Landrum
Cc: RDKit Discuss
Subject: Re: [Rdkit-discuss] Wired dependencies.
Yes,
sorry, I did not mention that. But I did that, too.
Soren
--
Dr. Soren Wacker
Centre For Molecular Simulations, BI # 547
The University of Calgary
2500 University Drive (NW)
Calgary, Alberta
Canada, T2N 1N4
Tel.: ++1 (403) 210 7860
Email: [email protected]
________________________________
From: Greg Landrum [[email protected]]
Sent: Monday, March 16, 2015 10:42 PM
To: Soren Wacker
Cc: RDKit Discuss
Subject: Re: [Rdkit-discuss] Wired dependencies.
Hi Soren,
On Mon, Mar 16, 2015 at 11:58 PM, Soren Wacker
<[email protected]<mailto:[email protected]>> wrote:
Hi,
I am using conda and rdkit, so installed
https://github.com/rdkit/conda-rdkit
with
conda build boost
conda build rdkit
The installation seems to be successfull, at least in part, since I can import
and use rdkit.
Did you also do:
conda install boost
conda install rdkit
in the environment you want to use?
-greg
However, I noticed some strange behaviour:
When I activate a conda environment and import rdkit from ipython notebook, the
kernel will crash.
Apparently, I have to use the system python version at /usr/bin/python and
import the packages installed with conda.
Also upgrading the python packages with conda update --all will lead to a not
working installation.
Any ideas how to solve that? Or where it may come from?
kind regards
Soren
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