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

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Thu Jan 12 12:58:37 CET 2017


On 01/12/2017 10:16 AM, Ask Hjorth Larsen wrote:
> Hi
>
> 2017-01-12 10:07 GMT+01:00 Jens Jørgen Mortensen via ase-users
> <ase-users at listserv.fysik.dtu.dk>:
>> 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.
> What time frame are we talking about (days, weeks, ...)?

Week.  But, in ase-development-time-units that could also be a few weeks.

Jens Jørgen



>
> Best regards
> Ask
>
>> 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
>>>
>>>      _______________________________________________
>>>      ase-users mailing list
>>>      ase-users at listserv.fysik.dtu.dk
>>>      <mailto:ase-users at listserv.fysik.dtu.dk>
>>>      https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>>>      <https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users>
>>>
>>>
>>>
>>>
>>> --
>>> ------------------------------------------
>>> 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
>>
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