[gmx-developers] Installation problems: Gromacs 4.5.1 with CMake

Rossen Apostolov rossen.apostolov at cbr.su.se
Thu Sep 2 22:22:31 CEST 2010


  Hi again,

Forgot to say: if you want static, you have to link against libXXXX.a., 
*.la are libtool archives.

Rossen

On 09/02/2010 08:23 PM, Justin A. Lemkul wrote:
> So I (after some additional trial-and-error) tried CMake:
>
> cmake ../gromacs-4.5.1 
> -DFFTW3F_LIBRARIES=/apps/packages/FFTW32-3.0.1/lib/libfftw3f.la 
> -DFFTW3F_INCLUDE_DIR=/apps/packages/FFTW32-3.0.1/include/ 
> -DCMAKE_INSTALL_PREFIX=/home/rdiv1001/gromacs-4.5.1_cmake-linux 
> –DGMX_BINARY_SUFFIX=_4.5.1_s –DGMX_THREADS=OFF –DGMX_X11=OFF 
> –DCMAKE_CXX_COMPILER=/apps/local/packages/gcc-4.2.2/bin/g++ 
> -DCMAKE_C_COMPILER=/apps/local/packages/gcc-4.2.2/bin/gcc
>
> The code begins compiling, but then exits with:
>
> Linking C shared library libmd.so
> /apps/packages/FFTW32-3.0.1/lib/libfftw3f.la: file not recognized: 
> File format not recognized
> collect2: ld returned 1 exit status
> make[2]: *** [src/mdlib/libmd.so.6] Error 1
> make[1]: *** [src/mdlib/CMakeFiles/md.dir/all] Error 2
> make: *** [all] Error 2

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