[ase-users] Fwd: Installing ASAP on Anaconda

[Pedro Augusto Franco Pinheiro Moreira]

Thanks for your answers.

I am on Linux/Ubuntu, but I tried to install with pip. It seems ok during
the installation. But when I import Asap, the interpreter answer is:

ModuleNotFoundError: No module named 'asap'

I will appreciate any help.

Pedro

---------- Forwarded message ---------
De: Michael Walter <Michael.Walter at fmf.uni-freiburg.de>
Date: qua., 3 de mar. de 2021 às 11:59
Subject: Re: [ase-users] Installing ASAP on Anaconda
To: Jakob Schiøtz <schiotz at fysik.dtu.dk>
Cc: Pedro Augusto Franco Pinheiro Moreira <pmoreira at df.ufscar.br>,
ase-users at listserv.fysik.dtu.dk <ase-users at listserv.fysik.dtu.dk>




Am Mi., 3. März 2021 um 15:44 Uhr schrieb Jakob Schiøtz via ase-users <
ase-users at listserv.fysik.dtu.dk>:

> Hi,
>
> I am sorry, but if you are on Windows then there is little hope to get
> Asap to work.  I do not have the expertise to compile Python modules for
> Anaconda, nor do I have the expertise to get the C++ parts of Asap to
> compile on Windows.  I tried it out last year with another package that was
> much simpler than Asap, but it was *really* difficult to get to work, and
> even with the kind help of the developers of conda-forge I had to give up.


> That also means that there is no conda package for Mac and Linux, but you
> should be able to install the newest Asap on these operating systems with
> pip.


cygwin might be an option in case there are other reasons to stick to
windows. It even works without admin-rights.

A linux is always better, of course ;)

Michael


>
> Best regards
>
> Jakob
>
>
> --
> Jakob Schiøtz, professor, Ph.D.
> Department of Physics
> Technical University of Denmark
> DK-2800 Kongens Lyngby, Denmark
> http://www.fysik.dtu.dk/~schiotz/
>
>
>
> > On 1 Mar 2021, at 13.57, Pedro Augusto Franco Pinheiro Moreira via
> ase-users <ase-users at listserv.fysik.dtu.dk> wrote:
> >
> >  Dear.
> >
> >  I installed ASE on Anaconda and it works. However, when I try to
> install ASAP - I want to do some CNA-, it seems everything is ok until I
> import the library on Anaconda.
> >
> >  When I run "import asap, the kernel at Spyder, Anaconda IDLE, restarts.
> It gives the following error:
> >
> > [SpyderKernelApp] WARNING | No such comm:
> 5d34166e7a8711eb8c2235a5af92e30a
> >
> > Can someone give me some advice to fix this?
> >
> > Best regards,
> >
> > Pedro Moreira
> > _______________________________________________
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> > ase-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
>
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-- 
------------------------------------------
PD Dr Michael Walter
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  Tel.: +49 761 5142 296
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