[ase-users] Installing ASAP on Anaconda

[Jakob Schiøtz]

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.

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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