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

Roland Schulz roland at utk.edu
Thu Sep 2 22:22:10 CEST 2010


I think it also should work by linking against libfftw3f.a. But I might be


On Thu, Sep 2, 2010 at 4:10 PM, Rossen Apostolov <rossen.apostolov at cbr.su.se
> wrote:

>  Hi Justin,
> I'm sorry about your frustration with the build. CMake isn't perfect, it
> has it's flaws and annoyances, but it's the best option we have.
> For example, if you compare the autoconf scripts (Makefile.am,
> configure.ac etc) with the CMakeLists.txt and FindXXX.cmake modules,
> you'll see that if you had to write a build system from scratch CMake would
> take much less time. There's been really a lot of work put in the autoconf
> over the years but it's archaic and had to go. Same for CVS - it had to go
> also. Git is also a little intimidating at the beginning but when you get
> used to it, you become grateful for having it around.
> I'm sure very soon people will get used to CMake also and will feel at home
> using it.
> Now back to your problem:) With CMake we have the shared libraries turned
> on by default, so you have to link against libfftw3f.so, not .la. I have to
> update the info on
> http://www.gromacs.org/Developer_Zone/Cmake/Custom_options .
> Cheers,
> 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
> –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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