[ase-users] Python 2+3 compatible ase-gui

[Jens Jørgen Mortensen]

On 01/11/2017 12:05 PM, Michael Walter wrote:
> Dear Jens Jorgen,
>
> first of all thanks for your effort and the huge amount of work (I 
> imagine) for porting.
>
> It's easy to complain of course, and I apologize that I have to do it. 
> Nevertheless, as you asked for it:
>
> Major points:
>
> 1. I, personally, extensively use the coloring possibility and this is 
> mainly gone now.
> 2. The setup possibilities of bulk, surface and graphene were very 
> useful also.

Yes, those would be good to have back, but that was the point where I 
ran out of energy.  I can finish those later if no one else does it 
before me, but I'm not going to hold back 3.13 for that.  I need Python 
3 support right now.

Jens Jørgen

> Minor points:
>
> 1. In my taste, the structures look more ugly now than before. The 
> black lines around the atom-balls are too thin and the bonds too thick.
> 2. The forces are not arrows anymore, but sticks.
>
> I do not think that this should be part of a new release yet. We 
> should rather keep old version until we have ported everything from 
> there.
>
> How about keeping both and let the new version evolve ?
>
> Best,
> Michael
>
> 2017-01-11 11:36 GMT+01:00 Jens Jørgen Mortensen via ase-users 
> <ase-users at listserv.fysik.dtu.dk 
> <mailto:ase-users at listserv.fysik.dtu.dk>>:
>
>     Hi!
>
>     I have finally managed to port ase-gui to Python 3.  I'd like some
>     feedback before we make an ase-3.13 release.
>
>     It's a slightly trimmed down version of ase-gui with some
>     features/functionality removed.  So, if you feel something
>     important is missing, then please let me know.
>
>     Install the development version and then give it a try. Please try
>     with both Python 2 and 3.  You can do that like this:
>
>         $ python2 -m ase.gui ...
>         $ python3 -m ase.gui ...
>
>     Make sure that you are actually testing the new GUI:  Click Help
>     -> About, and you should see "ASE-GUI (work in progress)".
>
>     You can clone the code or download a development-snapshot as
>     described here:
>
>     https://wiki.fysik.dtu.dk/ase/install.html#installation-from-source
>     <https://wiki.fysik.dtu.dk/ase/install.html#installation-from-source>
>
>     or get it from PyPI:
>
>         $ pip install ase==3.13.0b1 --user
>         $ pip3 install ase==3.13.0b1 --user
>
>     Please report any bugs you find.
>
>     Jens Jørgen
>
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>
>
>
> -- 
> ------------------------------------------
> PD Dr Michael Walter
> Addresses:
> - Fraunhofer IWM, Wöhlerstrasse 11, D-79108 Freiburg i. Br., Germany
>   Tel.: +49 761 5142 296
> - FIT Freiburg Centre for Interactive Materials and Bioinspired 
> Technologies, Georges-Köhler-Allee 105, 79110 Freiburg, Germany
>   Tel: +49 761 203 95072
> email: Michael.Walter at fmf.uni-freiburg.de 
> <mailto:Michael.Walter at fmf.uni-freiburg.de>
> www: 
> http://www.functional-nanosystems.uni-freiburg.de/People/PDWalter/group
> publications: http://scholar.google.com/citations?user=vlmryKEAAAAJ&hl=en