[ase-users] Anaconda + ASE
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Mon Jun 20 14:15:24 CEST 2016
On 06/11/2016 01:04 AM, Christopher Wright wrote:
> Would it be possible to put ASE on conda forge?
> This way an ASE conda package can be auto-built for each os.
> https://conda-forge.github.io/
I would prefer that we focus on using pip for installing ASE - less work
for everyone when we do a new release. And then we should describe on
the installation guide how to install pygtk which is the only
"difficult" dependency that ASE has.
Jens Jørgen
> Chris
> On Fri, Jun 10, 2016 at 2:58 PM, Prateek Mehta
> <Prateek.Mehta.10 at nd.edu <mailto:Prateek.Mehta.10 at nd.edu>> wrote:
>
> Hi Andy,
>
> I tried this on both linux and on Mac OS X. On linux this is handy
> for when you don't have root access and thus can't use the package
> manager. I'm surprised it actually also worked on OS X.
>
> There used to be windows binary for pygtk as far as I recall...
>
> Prateek
>
>
>
> On Fri, Jun 10, 2016 at 11:39 AM, Peterson, Andrew
> <andrew_peterson at brown.edu> wrote:
>
> Glad there's a solution! I generally think about this issue
> only when I teach with ASE and am trying to help students get
> a working version on their laptops. Can you let us know what
> OS you got this to work for? (Windows or Mac, I assume ...
> linux package managers solve this problem.)
>
> On Fri, Jun 10, 2016 at 11:24 AM, Prateek Mehta
> <Prateek.Mehta.10 at nd.edu> wrote:
>
> Awesome! That seems to have worked :). It might be a good
> idea to put this on the installation documentation page.
>
> Thanks Pedro!
>
>
> On Fri, Jun 10, 2016 at 1:07 AM, Pedro Brandimarte
> <brandimarte at gmail.com> wrote:
>
> Hi Prateek,
>
> pygtk and pyobject don't ship with anaconda by
> default, but you can
> easily include it from one of these sources:
>
> $ anaconda search -t conda pygtk
>
> Then, for instance you can choose:
>
> $ conda install -c https://conda.anaconda.org/mw
> pygtk2=2.24.0
>
> Best!
>
>
> Pedro
>
>
> On Fri, Jun 10, 2016 at 8:21 AM, Prateek Mehta
> <Prateek.Mehta.10 at nd.edu> wrote:
> > Did you guys ever come up with a solution to getting
> ase-gui to install well
> > with Canopy or Anaconda type distributions?
> >
> > I've gotten it to work in the past (very painfully)
> by building pygtk by
> > hand, like John mentioned on this thread. I'm using
> a new cluster now, but I
> > would like to avoid doing it that way again if
> possible...
> >
> > I know there is a gitlab thread on ase-gui and python 3
> > (https://gitlab.com/ase/ase/issues/13), but I think
> that is still a work in
> > progress.
> >
> > Prateek
> >
> > On Thu, Sep 24, 2015 at 6:02 PM, Peterson, Andrew
> > <andrew_peterson at brown.edu> wrote:
> >>
> >> This also did not work in Anaconda. I tried
> installing PyGObject to it
> >> without luck as well. (But if it's python3, I did
> not try that.)
> >>
> >> On Thu, Sep 24, 2015 at 3:24 PM, John Kitchin
> <jkitchin at andrew.cmu.edu>
> >> wrote:
> >>>
> >>>
> >>> >
> >>> > Does Canopy/Anaconda have PyGObject? Does this
> work:
> >>> >
> >>> > >>> from gi.repository import Gtk
> >>>
> >>> This does not work in Canopy. I can install gi,
> but there is no
> >>> repository. Canopy is still Python 2.7, is the
> repository a 3.0 feature?
> >>
> >>
> >> _______________________________________________
> >> ase-developers mailing list
> >> ase-developers at listserv.fysik.dtu.dk
> >>
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-developers
> >
> >
> >
> >
> > --
> > Prateek Mehta
> > Chemical Engineering PhD Student
> > University of Notre Dame
> > (412) 417-0152 <tel:%28412%29%20417-0152>
> >
> > _______________________________________________
> > ase-developers mailing list
> > ase-developers at listserv.fysik.dtu.dk
> >
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-developers
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>
>
>
> --
> Prateek Mehta
> Chemical Engineering PhD Student
> University of Notre Dame
> (412) 417-0152 <tel:%28412%29%20417-0152>
>
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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 <tel:%28401%29%20863-2153>
> http://brown.edu/go/catalyst
>
>
>
>
> --
> Prateek Mehta
> Chemical Engineering PhD Student
> University of Notre Dame
> (412) 417-0152 <tel:%28412%29%20417-0152>
>
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