[ase-users] Installing ASAP on Anaconda

[Jakob Schiøtz]

> On 3 Mar 2021, at 19.40, Pedro Augusto Franco Pinheiro Moreira via ase-users <ase-users at listserv.fysik.dtu.dk> wrote:
> 
> 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'

The module name is asap3

Bad design choice when it was beneficial to have version 2.X and 3.X installed simultaneously.

Best regards

Jakob



> 
> 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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> 
> -- 
> ------------------------------------------
> 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
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