[CP2K-user] [CP2K:17103] Re: CP2K installation

[Havva Mehralitabar]

Thank you for your reply,

I will check that.

Best regards.


On Wed, Jun 8, 2022 at 2:07 PM Sam Broderick <waveman68 at gmail.com> wrote:

> 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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