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

[Jens Jørgen Mortensen]

On 01/13/2017 01:55 PM, Jens Jørgen Mortensen via ase-users wrote:
> On 01/13/2017 11:21 AM, Alexander Held wrote:
>> Thank you very much for the nice work.
>>
>> A quick test gave me these issues (with both py2.7 and py3.5):
>>
>> 1) When selecting many atoms, the chemical formula shown in the 
>> bottom sometimes contains garbage like "C12\u2088" instead of "C128"  
>> (the "12" and "128" are subscript)
>> 2) The matplotlib energy plot pops up as a window with a title, but 
>> the canvas just contains garbage from the video buffer (e.g. content 
>> of other windows). I use matplotlib, numpy, python from Anaconda on 
>> 64bit linux.
>> 3) Selecting "Edit->Modify" without selecting any atoms, I get this 
>> traceback (example for py27 case, similar for py35):
>>
>> Exception in Tkinter callback
>> Traceback (most recent call last):
>>    File 
>> "/j1c/held/opt/Anaconda2-4.1.1-Linux-x86_64/lib/python2.7/lib-tk/Tkinter.py", 
>> line 1537, in __call__
>>      return self.func(*args)
>>    File "/j1c/held/opt/ase-master/ase/gui/ui.py", line 399, in callback2
>>      callback(key)
>>    File "/j1c/held/opt/ase-master/ase/gui/gui.py", line 269, in 
>> modify_atoms
>>      ModifyAtoms(self)
>>    File "/j1c/held/opt/ase-master/ase/gui/modify.py", line 15, in 
>> __init__
>>      ui.oops(_('No atoms selected!'))
>> AttributeError: 'module' object has no attribute 'oops'
>>
>> 4) The "Edit->Modify" dialog has no OK or CANCEL buttons. It took me 
>> quite some time to figure out that I have to hit "return" to change 
>> e.g. the element. Just closing the dialog does not modify anything.
>>
>> For me, issue 2) is the most serious, since I use ase-gui a lot to 
>> make the matplotlib plots. Unfortunately, there is no error message. 
>> I can only tell that the plots work fine with the old ase-gui version 
>> and the same matplotlib.
>
> Thanks for your feedback.  I've fixed 3 and 4.
>
> About 2: Does you matplotlib have a tkinter backend?  I was hoping 
> that matplotlib would always come with a tkinter backend.  If that's 
> not the case then I'll go back to doing the plotting in a separate 
> process (as before when we always had problems with missing 
> GTK-backend in MPL).
>
> About 1: Looks like your tkinter can't show a unicode subscript-8 ... 
> I'll see if I can find a solution.

1+2 should be fixed now.  Thanks for testing this!

Jens Jørgen

>
> Jens Jørgen
>
>> Kind regards
>> Alexander Held
>>
>>> -----Ursprüngliche Nachricht-----
>>> Von: ase-users-bounces at listserv.fysik.dtu.dk [mailto:ase-users-
>>> bounces at listserv.fysik.dtu.dk] Im Auftrag von Jens Jørgen Mortensen via
>>> ase-users
>>> Gesendet: Mittwoch, 11. Januar 2017 11:36
>>> An: ase-users
>>> Betreff: [ase-users] Python 2+3 compatible ase-gui
>>>
>>> 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
>>>
>>> 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
>>> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
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