[CP2K-user] [CP2K:20207] Cant set up CP2K for the life of me

Johann Pototschnig pototschnig.johann at gmail.com
Mon May 13 07:25:41 UTC 2024


How do you install? 

What is the output when you run the toolchain script? 
(https://github.com/cp2k/cp2k/blob/master/INSTALL.md)

On Saturday, May 11, 2024 at 9:24:52 PM UTC+2 Krack Matthias wrote:

> Hi
>
>  
>
> You could give a try to the CP2K containers 
> <https://github.com/cp2k/cp2k-containers/tree/master> to minimize the 
> installation efforts.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>  
>
> *From: *cp... at googlegroups.com <cp... at googlegroups.com> on behalf of 
> Steven Yannucci <sn... at pitt.edu>
> *Date: *Saturday, 11 May 2024 at 21:16
> *To: *cp2k <cp... at googlegroups.com>
> *Subject: *[CP2K:20203] Cant set up CP2K for the life of me
>
> Hello all! I am new to cp2k ("new" I guess isn't the correct word if I 
> haven't started yet)... I am trying to build CP2K on my home PC running a 
> linux distribution (Ubuntu now, but can easily change if necessary). I am 
> by no means a coding person, so when it comes to figuring out what / how / 
> where to download things, I am very baffled, which has made getting CP2K 
> started very difficult. Mostly having issues with MKL and SCALAPACK 
> downloads not being found when the cmake command is given. Even after 
> telling it the correct location of these libraries (or so I thought). I 
> have actually completely wiped my linux distro and started from scratch 
> 6ish times now, to no avail. Even using chatgpt to help is seemingly 
> impossible. Could anyone please help in any way shape or form. Assume I can 
> use any linux distro and I am starting completely from scratch with not a 
> single thing installed aside from the OS.
>
>  
>
> I thank you in advance so much for any help!
>
>  
>
> Cheers,
>
>  
>
> Steven
>
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