Installing SIRIUS

[TheMryorga]

Dear all,

While installing SIRIUS I got the following error:

==================== Installing SIRIUS ====================
sirius_6.1.5.tar.gz is found
Installing from scratch into /home/maurod/Installers/cp2k/tools/toolchain/install/sirius-6.1.5
cmake -DCMAKE_INSTALL_PREFIX=/home/maurod/Installers/cp2k/tools/toolchain/install/sirius-6.1.5                   -DCMAKE_CXXFLAGS_RELEASE=-O3 -DNDEBUG -mtune=native -ftree-loop-vectorize -I'/home/maurod/Installers/cp2k/tools/toolchain/install/openblas-0.3.5/include'                   -DCMAKE_CXX_FLAGS_RELWITHDEBINFO=-O2 -g -mtune=native -ftree-loop-vectorize -I'/home/maurod/Installers/cp2k/tools/toolchain/install/openblas-0.3.5/include'                   -DCMAKE_CXX_COMPILER=mpic++                   -DCMAKE_C_COMPILER=mpicc -DUSE_VDWXC=ON -DUSE_SCALAPACK=ON -DSCALAPACK_INCLUDE_DIR=/home/maurod/Installers/cp2k/tools/toolchain/install/scalapack-2.0.2/include -DUSE_ELPA=ON -DELPA_INCLUDE_DIR=/home/maurod/Installers/cp2k/tools/toolchain/install/elpa-2017.05.003/include/elpa-2017.05.003/elpa -DHDF5_DIR= ..
ERROR: (./scripts/install_sirius.sh, line 130) Non-zero exit code detected.

Any idea what is wrong? I am using:  /install_cp2k_toolchain.sh --with-gcc --enable-omp

Thanks

[Tiziano Müller]

Hi,

in .../cp2k/tools/toolchain/build/SIRIUS-6.1.5/build you should find
some *.log files. Can you please check them for more information about
the error?

Best regards,
Tiziano

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Tiziano Müller
University of Zurich
Department of Chemistry
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Tel: +41 44 63 54234
www.chem.uzh.ch
tiziano...@chem.uzh.ch

[TheMryorga]

Hi,

I have checked the corresponding log file and I was missing pkg-config and gsl in my computer.

I installed them using:

sudo apt-get install pkg-config  libgsl-dev

Then SIRIUS was installed and the makefile worked for compiling CP2K

Thanks for your comment!

Best,

Mauricio

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