CP2K installation

[Havva Mehralitabar]

hello every one,

I am trying to install CP2K for qm/mm caculation with gromacs, 

after Cp2k installation I wanted to make libcp2k with 

the following command:

make -j 20 ARCH=local VERSION=psmp libcp2k

but I get the foolowing error:

Discovering programs ...
make -C /home/ghasemi/software/cp2k-9.1/exts/dbcsr -f /home/ghasemi/software/cp2k-9.1/exts/build_dbcsr/Makefile \
   ARCHFILE=/home/ghasemi/software/cp2k-9.1/arch/local.psmp \
   LIBDIR=/home/ghasemi/software/cp2k-9.1/lib/local/psmp/exts/dbcsr \
   OBJDIR=/home/ghasemi/software/cp2k-9.1/obj/local/psmp/exts/dbcsr \
   USE_ACCEL="" \
   ACC="" \
   ACCFLAGS=""
Writing pkg-config /home/ghasemi/software/cp2k-9.1/lib/local/psmp/pkgconfig/libcp2k.pc
Removing stale archives for psmp ...
/bin/sh: 1: Syntax error: "(" unexpected
make[2]: *** [/home/ghasemi/software/cp2k-9.1/Makefile:200: pkgconfig] Error 2
make[2]: *** Waiting for unfinished jobs....
Removing stale archives ...
Resolving dependencies ...
Resolving dependencies for psmp ...

make[1]: *** [/home/ghasemi/software/cp2k-9.1/Makefile:140: psmp] Error 2
make: *** [Makefile:135: libcp2k] Error 2

it would be greatly appreciated if someone could give any  solution to fix it

thank you in advance

[Sam Broderick]

Hi

CP2K has a lot of dependencies and can be very difficult to install.

You might some ideas from /cp2k-9.1/tools/toolchain/scripts. It's useful to install stage by stage what you need. Hope this helps.

Kind Regards

Sam

[Havva Mehralitabar]

Thank you for your reply,

I will check that.

Best regards.

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