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

[Peterson, Andrew]

[My earlier attempt at this message bounced due to filesize, so am putting
in links instead of images. Apologies if my previous message also makes it
through at some point!]

This will be great to have ase-gui be more compatible.

A drawback I noticed immediately is the look: at least in ubuntu, the
current version was themed just like any other application and feels
"right". The proposed version doesn't use the system theme and looks like
antiquated software. I've taken sample screenshots, links are below. Also,
I recall that this was discussed on the list when TKinter was proposed as
solution for compatibility with Anaconda.

Current version:
http://www.brown.edu/Departments/Engineering/Labs/Peterson/images/temp/ase/current.png
Proposed version:
http://www.brown.edu/Departments/Engineering/Labs/Peterson/images/temp/ase/proposed.png

Can the gui be madeto adopt that of the operating system? (I hate to
complain about aesthetics, but I think it matters. Particularly as new
users try ASE, if they see something that looks archaic they might
reasonably conclude that our package is not very sophisticated...)


On Thu, Jan 12, 2017 at 5:19 AM, Gaël Donval via ase-users <
ase-users at listserv.fysik.dtu.dk> wrote:

> Hi,
> > Thanks.  GVFS-SFTP support sounds very cool, but what is it?
>
> Sorry about that: in a nutshell, this allows anyone using GTK's file
> chooser to see and use remote SSH/SFTP filesystems as local
> directories. So I can spawn ase2-gui locally and seamlessly access HPC
> cluster files without having to invoke any mount magic beforehand.
>
> This comes in handy particularly when working from a laptop and moving
> around: GVFS only tries to connect to the remote resources upon request
> *not* each time the computer starts, it handles connectivity loss and
> resumption quite well, it automatically uses SSH keys if available and
> it requires no complicated setups (really, you just have to type
> sftp://hpc_cluster [maybe after pressing Ctrl+l] in the file chooser
> and bookmark that).
>
> (More generally, GVFS handles the so-called virtual filesystems (FTP,
> SFTP, WebDAV, SMB, MTP, etc.) in a transparent manner. If you use
> Nautilus as a file browser on Linux, GVFS is already what you use to
> access remote resources. If that rings a bell, GVFS is more or less the
> GLib equivalent to FUSE.)
>
>
> >
> > The external viewers should work again now.  I can't reproduce the
> > other
> > two.
> Yes indeed. You may want to add `avogadro2` to the mix as `avogadro`
> will be deprecated soon.
>
>
> >  What exactly are you doing to get those bugs?  Sounds like a
> > matplotlib problem.
> Well, about matplotlib, I may have used a traj file instead of gpw
> files. I'll have to try again soon (and will report on Gitlab).
>
> About the play/stop buttons: I just open a traj file containing many
> structures. When I use the slider and any other button, all is working
> well. But when I press "Play", I get nothing (really nothing) and when
> I press "Stop", I get this:
>
>     Exception in thread Thread-1:
>     Traceback (most recent call last):
>       File "/usr/lib/python3.6/threading.py", line 916, in
>     _bootstrap_inner
>         self.run()
>       File "/usr/lib/python3.6/threading.py", line 1182, in run
>         self.function(*self.args, **self.kwargs)
>       File
>     "/home/ggd21/Documents/Projects/GPAW/code/ase/ase/gui/movie.py",
>     line 89, in step
>         delta = int(self.skip.value + 1)
>       File "/home/ggd21/Documents/Projects/GPAW/code/ase/ase/gui/ui.py",
>     line 210, in value
>         x = self.widget.get().replace(',', '.')
>       File "/usr/lib/python3.6/tkinter/__init__.py", line 3669, in get
>         return self.tk.call(self._w, 'get')
>     RuntimeError: main thread is not in main loop
>
>
> >
> > Keep the bug reports coming - here or on GitLab - it's up to you.
> > But,
> > please use latest master for testing.
>
> commit 9c43aa1263bd028f48931a1add6fc487eb0408d1 on master, capt'n!
>
> Gaël
>
>
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> ase-users at listserv.fysik.dtu.dk
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>



-- 
Andrew Peterson
Assistant Professor
Brown University School of Engineering
Barus & Holley 247
184 Hope Street
Providence, RI 02912
(401) 863-2153
http://brown.edu/go/catalyst
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