Re: [Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-24 Thread Clyde Fare
Thanks all, The error reported on attempting to build is attached below. The colleague in question noted that it seemed to be looking for python2.7? It may well be that some trivial error has been made. When I get access to a windows machine I will have a go at building rdkit from source as report

Re: [Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-24 Thread Riccardo Vianello
Hi Paolo, That would be really great, I would be definitely interested in trying to wrap your scripts into the conda recipe for the boost package. Thanks, Riccardo ​ -- Monitor Your Dynamic Infrastructure at Any Scale Wi

Re: [Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-24 Thread Paolo Tosco
Hi all, I have successfully built the RDKit on Windows against Python 3. I had to manually compile boost though; Greg, if you wish I can send you scripts which will do the job out-of-the-box on Windows. Cheers, p. On 09/24/15 07:55, Greg Landrum wrote: On Wed, Sep 23, 2015 at 8:55 AM, Cly

Re: [Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-23 Thread Greg Landrum
On Wed, Sep 23, 2015 at 8:55 AM, Clyde Fare wrote: > > Some colleagues have been trying to get rdkit to work with a python 3 > anaconda environment running on a windows machine and have been running > into difficulties. > I'd love to hear about these in some more detail. > > I notice there is

Re: [Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-23 Thread Riccardo Vianello
Hi Clyde, with regard to the conda packages, I built the windows packages that are available from anaconda.org, and the reasons for excluding the python3 version have mainly been that there wasn't very much demand for it. I am not aware of any particular problems, but (based on my own experience a

[Rdkit-discuss] Python 3, windows 64, rdkit builds

2015-09-23 Thread Clyde Fare
Hi, Some colleagues have been trying to get rdkit to work with a python 3 anaconda environment running on a windows machine and have been running into difficulties. I notice there is no python 3 windows rdkit binary, nor is there a windows conda package for python 3. Is there some windows python

Re: [Rdkit-discuss] Python 3

2012-12-20 Thread Eddie Cao
Hi, To add to the discussion, consider learning six (http://packages.python.org/six/) and make your code work on both 2 and 3 and as future-proof as possible :-) Eddie On Dec 20, 2012, at 11:25 AM, Greg Landrum wrote: > Dear Jim > > On Thu, Dec 20, 2012 at 6:15 PM, Jim Rathman wrote: > I’ve

Re: [Rdkit-discuss] Python 3

2012-12-20 Thread Greg Landrum
Dear Jim On Thu, Dec 20, 2012 at 6:15 PM, Jim Rathman wrote: > I’ve searched the mailing list archives and haven’t seen much about the > status of RDKit for Python 3. Is there a current implementation of RDKit > compatible with Python 3; if not, is there a timeline for this happening. > I’m a ne

[Rdkit-discuss] Python 3

2012-12-20 Thread Jim Rathman
I've searched the mailing list archives and haven't seen much about the status of RDKit for Python 3. Is there a current implementation of RDKit compatible with Python 3; if not, is there a timeline for this happening. I'm a new Python user and wondering whether I should focus on learning Python 2.