Re: [Rdkit-discuss] The RDKit and Python3

2017-06-19 Thread Greg Landrum
Yep, Andrew is exactly right: the RDKit currently supports both Python 3 and 
Python 2 and has since the 2014.09 release. Riccardo and others invested a fair 
amount of work in getting us here, but it was effort that was very well spent.

-greg


From: Andrew Dalke <da...@dalkescientific.com>
Sent: Monday, June 19, 2017 5:57:18 PM
To: RDKit Discuss
Subject: Re: [Rdkit-discuss] The RDKit and Python3

On Jun 19, 2017, at 17:39, Dan Wandschneider 
<daniel.wandschnei...@schrodinger.com> wrote:
> Greg-
> Is the RDKit currently compatible with Python3? If not, when do you expect I 
> could start migrating a code base that depends on the RDKit?

I'm not Greg, but I can answer that question.

The RDKit has been available for both Python 2 and Python 3 since at least 2015.

http://www.rdkit.org/docs/Overview.html says:
  • Python (2.x and 3.x) wrapper generated using Boost.Python

See also a 2015 version of the page at
  
https://web.archive.org/web/20151118050031/http://www.rdkit.org/docs/Overview.html

Cheers,

Andrew
da...@dalkescientific.com



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Re: [Rdkit-discuss] The RDKit and Python3

2017-06-19 Thread Andrew Dalke
On Jun 19, 2017, at 17:39, Dan Wandschneider 
 wrote:
> Greg-
> Is the RDKit currently compatible with Python3? If not, when do you expect I 
> could start migrating a code base that depends on the RDKit?

I'm not Greg, but I can answer that question.

The RDKit has been available for both Python 2 and Python 3 since at least 2015.

http://www.rdkit.org/docs/Overview.html says:
  • Python (2.x and 3.x) wrapper generated using Boost.Python

See also a 2015 version of the page at
  
https://web.archive.org/web/20151118050031/http://www.rdkit.org/docs/Overview.html

Cheers,

Andrew
da...@dalkescientific.com



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Re: [Rdkit-discuss] The RDKit and Python3

2017-06-19 Thread Dan Wandschneider
Greg-
Is the RDKit currently compatible with Python3? If not, when do you expect
I could start migrating a code base that depends on the RDKit?

- dan wandschneider

(soon to be "dan *neal*schneider")

Senior Developer
Schr*ö*dinger, Inc
Portland, OR


On Sat, Jun 17, 2017 at 3:25 AM, Greg Landrum 
wrote:

> Dear all,
>
> As many of you are no doubt aware, the Python community plans to
> discontinue support for Python 2 in 2020. A growing number of projects in
> the Scientific Python stack are making the same transition and have made
> that explicit here:
> http://www.python3statement.org/
>
> I will be adding the RDKit to this list. The RDKit will switch to support
> only Python 3 by 2020. At some point between now and then - likely during
> the 2018.09 release cycle - we will create a maintenance branch for Python
> 2 that will continue to get bug fixes but will no longer have new Python
> features added. This branch will be maintained, and we will keep doing
> Python 2 builds, until 2020 when official Python 2 support ends.
>
> Additionally, starting during the 2018.03 release cycle we will accept
> contributions for new features that are not compatible with Python 2 as
> long as those features are implemented in such a way that they don't break
> existing Python 2 code (more on this later). This will allow members of the
> RDKit community who have made the switch to Python 3 to start making use of
> the new features of the language in their RDKit contributions.
>
> If you have not made the switch yet to Python 3: please read the web page
> I link to above and take a look at the list of projects that have committed
> to transition. The switch from Python 2 to Python 3 isn't always easy, but
> it's not getting any easier with time and you have a few years to complete
> it. There are a lot of online resources available to help.
>
> Best Regards,
> -greg
>
>
>
> 
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