Re: [cclib-users] python3 + distribution

[Felix P. <fel...@un...>]

Hi, thank you for your responses!

My problems only exist for python2.6 (which is the default on our CentOS 
system). But python2.7 works. So that is ok!

I'll adjust the README and add the cclib paper to the list of references.

So far I just made a tiny change in adfparser.py to parse atombasis
https://github.com/felixplasser/cclib/commit/de40471b2d38dec73d020045144d4b15af72eb8e
I don't know of how much general interest this is. I guess I'll wait 
until I have some more serious code before I do a pull request.

-Felix

On 05/03/2016 04:18 PM, Karol Langner wrote:
> 1. Eric is correct - and please submit a bug if something doesn't work 
> in Py2. I think we generally want to support everything between 2.7 
> and 3.x.
>
> 2. Feel free to do anything within the LGPL. Consider donating code 
> back to cclib if it's of general interest.
>
> On Tue, May 3, 2016 at 6:49 AM, Eric Berquist <er...@pi... 
> <mailto:er...@pi...>> wrote:
>
>     Hi Felix,
>
>     1. cclib should be fully backwards-compatible with Python 2.7. It
>     might be compatible with earlier versions, but we don't test for
>     it. Can you post the error you're getting?
>
>     2. Yes, that sounds correct. I also think that if you have a
>     README file, it should mention that you use cclib and contain a
>     link to our website: http://cclib.github.io/
>
>     Eric
>
>     On Tue, May 3, 2016 at 3:24 AM, Felix Plasser
>     <fel...@un... <mailto:fel...@un...>>
>     wrote:
>
>         Hello,
>
>         Could I just ask two quick questions:
>
>         First, what is the philosophy of cclib with respect to backward
>         compatibility with python 2? When I try to run it with python
>         2, I have
>         to deactivate molproparser manually. Is there any other way to
>         run cclib
>         with python 2 or is that just not a priority?
>
>         Second, since cclib is distributed as LGPL, I am allowed
>         distribute it
>         with my own code ( http://theodore-qc.sourceforge.net/ ),
>         right? I just
>         have to supply the full source and LICENSE file of cclib.
>
>         Thanks!
>         Felix
>
>         --
>         Felix Plasser
>         Institute for Theoretical Chemistry
>         University of Vienna
>         Währingerstr. 17/404
>         1090 Wien
>         fel...@un... <mailto:fel...@un...>
>         http://homepage.univie.ac.at/felix.plasser/
>         Tel.: +43-1-4277-52757 <tel:%2B43-1-4277-52757>
>
>
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-- 
Felix Plasser
Institute for Theoretical Chemistry
University of Vienna
Währingerstr. 17/404
1090 Wien
fel...@un...
http://homepage.univie.ac.at/felix.plasser/
Tel.: +43-1-4277-52757