yeah, there are a ton of moving parts here and the RDKit builds on the Mac
got caught between a couple of them.[1]
The build of the beta that Brian mentions should work for everyone who's
using python 3.6 and an up-to-date conda installation. If it doesn't,
please, please let us know.
-greg
[1]
Hi Patrick,
I had a similar problem with RDKit 2017.09.03 on MacOS, using rdkit channel
in anaconda.
Using the conda-forge channel with python 3.5.5 and ipython 6.2 works fine.
I can post my env tomorrow from work.
Best,
Christos
Christos Kannas
Chem[o]informatics Researcher & Software Develo
Pat, the beta for 2018.03 seems to work fine:
conda install -c rdkit/label/beta rdkit
My current guess is that there is a boost python dependency problem with
RDKit 2017 for Python 3. I've twiddled between a few different boost
versions in the conda environment, but to no success in getting 2017
I can reproduce the problem, and the issue does appear to be different than
the previous issue. Reproducible with the following on OSX:
$ conda create -c rdkit -n rdkit_2017 rdkit python=3.5
$ source activate rdkit_2017
$ python -c 'import rdkit.rdBase'
Segmentation fault: 11
$ lldb -- python -c
An issue like this was fixed in the past:
https://github.com/rdkit/rdkit/commit/009dd580527caa662de8bac5ad0c60f1e9bc90cd
Will see if I can reproduce this.
-Brian
On Mon, Apr 16, 2018 at 12:09 PM, Patrick Walters
wrote:
> Hi All,
>
> I installed the latest RDKit using conda
>
> conda create -c
Hi All,
I installed the latest RDKit using conda
conda create -c rdkit -n rdkit_2017 rdkit
When I import Chem I get a seg fault
➜ ~ source activate rdkit_2017
(rdkit_2017) ➜ ~ python
Python 3.5.5 |Anaconda, Inc.| (default, Mar 12 2018, 16:25:05)
[GCC 4.2.1 Compatible Clang 4.0.1 (tags/RELEASE
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