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Re: [ESPResSo-users] make does not find gsl headers

From: hecke
Subject: Re: [ESPResSo-users] make does not find gsl headers
Date: Wed, 17 Jul 2019 12:50:28 +0200
User-agent: Mozilla/5.0 (X11; Linux x86_64; rv:60.0) Gecko/20100101 Thunderbird/60.7.2

Hi Konrad,

thanks, that did work.
Only to make sure: This does not compromise the functionality of espresso, but only the performance in a very few routines?


On 7/17/19 9:55 AM, Konrad Breitsprecher wrote:
Hi Hecke,
you might get away with just turning off GSL (cmake -DWITH_GSL=OFF), it's just needed for a specific cluster analysis method.

Am Di., 16. Juli 2019 um 18:46 Uhr schrieb hecke <address@hidden <mailto:address@hidden>>:

    Dear Espresso-people,

    I am trying to compile espresso on a cluster here at MPIDS in
    Goettingen. We have lots of  custom compiled libraries in non-standard
    directories, so linking is always a bit tricky.

    Now, after some serious work, I got cmake to run through smoothly, but
    when running make I more or less immediately run into the problem that
    the gsl headers are not found. Although cmake lists the correct path to
    the right gsl.

    Any hint on what I might be doing wrong here?
    To me it looks as if custom paths are not correctly put into the
    Makefiles by cmake.

    (btw, in order to get -DFFTW3_ROOT to work, I needed to set
    cmake_policy(SET CMP0074 NEW) in the root CMakeLists.txt, otherwise,
    cmake would not configure the FFTW paths correctly, but tell me that
    WARNING: Target "EspressoCore" requests linking to directory
    "/usr/lmp/fftw-3.3.8-mvapich2-2.3-gcc-8.2.0/lib".  Targets may link
    to libraries.  CMake is dropping the item.
    Is this intended behavior?)



    # cmake -DWITH_CUDA=off
    -DBOOST_ROOT=/usr/lmp/boost-1.69.0-mvapich2-2.3-gcc-8.2.0/ ..
    -- The C compiler identification is GNU 8.2.0
    -- The CXX compiler identification is GNU 8.2.0
    -- Check for working C compiler:
    -- Check for working C compiler:
    /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc -- works
    -- Detecting C compiler ABI info
    -- Detecting C compiler ABI info - done
    -- Detecting C compile features
    -- Detecting C compile features - done
    -- Check for working CXX compiler:
    -- Check for working CXX compiler:
    /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx -- works
    -- Detecting CXX compiler ABI info
    -- Detecting CXX compiler ABI info - done
    -- Detecting CXX compile features
    -- Detecting CXX compile features - done
    -- Config file:
    -- Performing Test result__PRETTY_FUNCTION__
    -- Performing Test result__PRETTY_FUNCTION__ - Success
    -- Found PythonInterp: /usr/lmp/anaconda3/bin/python (found version
    -- Found Cython version 0.29.2
    -- Found Cython: /usr/lmp/anaconda3/bin/cython (Required is at least
    version "0.23")
    -- Found NumPy:
    version "1.15.4")
    -- NumPy ver. 1.15.4 found (include:
    -- HDF5: Using hdf5 compiler wrapper to determine C configuration
    -- Found HDF5:

    (found suitable version "1.10.2", minimum required is "1.8") found
    components:  C
    -- Found PkgConfig: /usr/bin/pkg-config (found version "0.27.1")
    -- Found GSL: /usr/lmp/gsl-2.5-gcc-8.2.0/include (found version "2.4")
    -- Found MPI_C: /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicc (found
    -- Found MPI_CXX: /usr/lmp/mvapich2-2.3-gcc-8.2.0/bin/mpicxx (found
    version "3.1")
    -- Found MPI: TRUE (found version "3.1")
    -- Boost version: 1.69.0
    -- Found the following Boost libraries:
    --   mpi
    --   serialization
    --   filesystem
    --   system
    --   unit_test_framework
    -- Found Doxygen: /usr/bin/doxygen (found version "1.8.5") found
    components:  doxygen missing components:  dot
    -- Found Sphinx: /usr/lmp/anaconda3/bin/sphinx-build (found suitable
    version "1.8.2", minimum required is "1.6.6")
    -- writing
    -- The following OPTIONAL packages have been found:

       * FFTW3
       * HDF5 (required version >= 1.8)
       * PkgConfig
       * GSL
       * Doxygen
       * Sphinx (required version >= 1.6.6)

    -- The following REQUIRED packages have been found:

       * PythonInterp
       * Cython (required version >= 0.23)
       * NumPy
       * MPI
       * Boost (required version >= 1.53.0)

    -- Configuring done
    -- Generating done
    CMake Warning:
        Manually-specified variables were not used by the project:


    -- Build files have been written to:


    # make
    [  0%] Built target myconfig
    [  0%] Built target check_myconfig
    [  1%] Built target EspressoConfig
    [  2%] Building CXX object

    fatal error: gsl/gsl_fit.h: No such file or directory
       #include "gsl/gsl_fit.h"
    compilation terminated.

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