[CP2K-user] [CP2K:11760] CP2K+OMEN

[Tiziano Müller]

Hi Luca,

On 20.05.19 10:21, Luca wrote:
> Dear Tiziano
> 
> thank you for your answer. Unfortunately, your hints do not fix the 
> issue. The path to the cp2k sources is .../CP2K-OMEN/cp2k/cp2k/src. > I believe the reason is that the script package_versions.sh do not exist
> in the dir ../script.
> Furthermore, that script is not even present in the entire cp2k dir.
> Does anyone know the reason for that? Which is the cp2k release I have 
> to use with OMEN? I am using the 6.1

in v6.1 the script should still be there:

https://github.com/cp2k/cp2k/blob/v6.1.0/tools/toolchain/scripts/package_versions.sh

But it seems that the script by default pulls from old SVN trunk which 
is already missing the `package_versions.sh`.

You can proceed by either commenting out the SVN checkout part in OMEN's 
`installer.sh` and make sure it uses the CP2K sources you provide or change

   cp2kTRUNKorRELEASE="trunk"
   cp2kRELEASEVER="4_1"

to

   cp2kTRUNKorRELEASE="release"
   cp2kRELEASEVER="6_1"

which should make the script pull version 6.1 from the old SVN (both 
methods not tested by me).
In any what it seems you need some manual work to make the 
`installer.sh` work again.

Best regards,
Tiziano

> 
> Best Regards.
> Luca
> 
> On Monday, May 20, 2019 at 9:22:00 AM UTC+2, Tiziano Müller wrote:
> 
>     Hi Luca,
> 
>     the dft-transport code seems to be assuming the old CP2K directory
>     layout from when we were still using Subversion.
> 
>     It might be enough to correct line 111 in the installer.sh to
> 
>         cp2k_toolchainDIR=${cp2kDIR}/tools/toolchain
> 
>     ... and in lines 121, 130, 403 remove the `cp2k/` as well.
> 
>     Best regards,
>     Tiziano
> 
>     On 19.05.19 21:57, Luca wrote:
>      > Dear developers
>      >
>      > I am trying to install CP2K+OMEN by using the installer.sh script
>      > provided with the dft-transport sources.
>      > Unfortunately, the installer does not finish his work since it
>     crashes
>      > with the error:
>      >
>      >
>     --------------------------------------------------------------------------------------------------------
> 
>      >   build CP2K you should change directory:
>      >    cd cp2k/makefiles/
>      >    make -j 16 ARCH=local VERSION="sopt sdbg ssmp popt pdbg psmp"
>      >
>      > arch files for GPU enabled CUDA versions are named "local_cuda.*"
>      > arch files for valgrind versions are named "local_valgrind.*"
>      > arch files for coverage versions are named "local_coverage.*"
>      > ./installer.sh: line 141:
>      >
>     .../CP2K-OMEN/cp2k/cp2k/tools/toolchain/scripts/package_versions.sh: No
>      > such file or directory
>      >
>     --------------------------------------------------------------------------------------------------------
> 
>      >
>      > Could you please help me to overcome this issue?
>      > Best Regards.
>      >
>      > Luca
>      >
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>     -- 
>     Tiziano Müller
>     University of Zurich
>     Department of Chemistry
>     Winterthurerstrasse 190
>     CH-8057 Zürich
> 
>     Tel: +41 44 63 54234
>     www.chem.uzh.ch <http://www.chem.uzh.ch>
>     tiz... at chem.uzh.ch <javascript:>
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-- 
Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano... at chem.uzh.ch