[CP2K-user] [CP2K:17098] Re: CP2K installation

[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

On Wednesday, May 11, 2022 at 10:19:25 AM UTC+2 hmehra... at gmail.com wrote:

> 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
>

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