[CP2K-user] [CP2K:12801] Compiling error of SIRIUS-6.4.4

[Tiziano Müller]

Hi Vitesse,

yes I do.

Here's a fix:

   https://github.com/cp2k/cp2k/pull/747
resp.
   https://github.com/cp2k/cp2k/pull/747.patch

Best,
Tiziano

On 22.01.20 07:38, vitesse lin wrote:
> Hi CP2K users,
> 
> Environment: Centos7.7
> 
> Hi I am trying the latest codebase with commit 
> "0c352fb614e2ad9bd9c77166093b1cf4df31fd19".
> I will hit error when I execute the command. 
> "./install_cp2k_toolchain.sh --math-mode=mkl --with-reflapack=no 
> --with-scalapack=no --with-elpa=no --libint-lmax=5 
> --with-mkl=/opt/intel/mkl"
> 
> ==================== Installing SIRIUS ====================
> sirius_6.4.4.tar.gz is found
> Installing from scratch into 
> /home/master/Desktop/HPC/cp2k/cp2k/tools/toolchain/install/sirius-6.4.4
> ERROR: (./scripts/install_sirius.sh, line 130) Non-zero exit code detected.
> 
> |CMake Error at CMakeLists.txt:121 (find_package): Could not find a 
> package configuration file provided by "SpFFT" (requested version 0.9.6) 
> with any of the following names: SpFFTConfig.cmake spfft-config.cmake 
> Add the installation prefix of "SpFFT" to CMAKE_PREFIX_PATH or set 
> "SpFFT_DIR" to a directory containing one of the above files. If "SpFFT" 
> provides a separate development package or SDK, be sure it has been 
> installed. -- Configuring incomplete, errors occurred! |
> 
> The issue occurs if I use new SIRIUS-6.4.4+SpFFT-0.9.10 version and it 
> won't occurs if I use SIRIUS-6.4.4+SpFFT-0.9.8.
> 
> 
> Does there anyone hit the same problem?
> 
> 
> Thanks.
> 
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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