[CP2K-user] [CP2K:20660] Re: Compiling cp2k 2024.2

[Frederick Stein]

Dear Lorenzo,
The version 7.6.0 is currently work in progress (see 
https://github.com/cp2k/cp2k/pull/3651). If you have your own installation 
of the SIRIUS library (or any other library), you can provide the path by 
"--with-sirius=/your/path/to/sirius" (and similar for other features). I am 
not too experienced with the installation of SIRIUS. Considering your error 
messages, there may be a misconfiguration of the installation. Could you 
provide more information (version of the compiler, full output of SIRIUS 
and maybe the CP2K Toolchain)?
Best,
Frederick

lorenzo briccolani schrieb am Mittwoch, 4. September 2024 um 12:37:54 UTC+2:

> Dear Cp2k users,
>
> I have some problems compiling cp2k using the toolchain script with the 
> following flags:
>
> --with-intel  --enable-cuda=yes   --with-intelmpi --gpu-ver=V100 
>
> The problems appear when the script tries to install Sirius (7.5.2):
> "
> wget  --quiet https://www.cp2k.org/static/downloads/SIRIUS-7.5.2.tar.gz 
> SIRIUS-7.5.2.tar.gz: OK 
> Checksum of SIRIUS-7.5.2.tar.gz Ok 
> Installing from scratch into 
> /g100/home/userexternal/lbriccol/home/cp2k/cp2k-2024.2/tools/toolchain/install/sirius-7.5.2
> *******************
> ERROR: (./scripts/stage8/install_sirius.sh, line 173) Non-zero exit code 
> detected.
> "
>
> The file with the complete comment is in the attachment (sirius_err.txt).
>
> Looking in the https://www.cp2k.org/static/downloads/, I've found a newer 
> version: Sirius_7.6.0. My intention was to copy it in the build/ folder and 
> try to reinstall.  But the toolchain script downloads the older version 
> (7.5.2) with wget, so my question is: is it possible to indicate a specific 
> version of sirius using the toolchain script?
>
> Thanks
>
> Lorenzo Briccolani
>
>
>

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