[CP2K-user] [CP2K:20647] Compiling CP2K2024.2 with SIRIUS 7.6.0

[Hossein Mirhosseini]

Hi,
I am trying to compline CP2K2024.2 with the latest version of SIRIUS 
(7.6.0). To do so, I modified 
cp2k/tools/toolchain/scripts/stage8/install_sirius.sh
and added the following lines:
sirius_ver="7.6.0"
sirius_sha256="e424206fecb35bb2082b5c87f0865a9536040e984b88b041e6f7d531f8a65b20"
 
SIRIUS 7.6.0 is installed with no issue (the log file is attached). 
However, when I run make command for "psmp" version, it stopped with some 
errors ( undefined reference to ...) regarding SIRIUS (the log file is 
attached).

I am wondering if it is possible to compile CP2K with a SIRIUS version 
other than the "default" version. If so, what I am doing is correct or 
should I modify some other files as well?

Thanks for your support!
Hossein

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