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
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
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
I believe you need to install the version of the rdkit you just built in
your conda environment with conda install and make sure that environment is
active.
It looks like it's finding a different build. You can confirm this by doing:
python -c 'import rdkit;print(rdkit.__file__)'
and looking at t
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
[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
Hi Soren,
On Thu, Jan 29, 2015 at 2:03 AM, Soren Wacker wrote:
>
> I would highly appreciate a
> conda install rdkit
>
> way of doing it, but that is probably not so easy to realize.
>
It wasn't easy to realize but fortunately Riccardo has already done the
work:
https://github.com/rdkit/conda-r
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
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 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.
Wh
my guess:
-DRDK_INSTALL_INTREE=OFF
-David
On Wed, Jan 28, 2015 at 3:14 PM, Soren Wacker wrote:
> 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
>
>
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