[gmx-developers] Minor CMAKE/fftw3 problem VS2010 x64 - finally solved

[Roland Schulz]

On Mon, Feb 27, 2012 at 5:16 PM, Mirco Wahab <
mirco.wahab at chemie.tu-freiberg.de> wrote:

> Am 27.02.2012 15:57, schrieb Szilárd Páll:
> > There is nothing Windows specific about this, the FFTW detection has
> > been changed recently and the docs have not been up to date. In fact
> > the CMake documentation needs major revision. For now I've updated the
> > main CMake docs, but not the Windows specific page.
> >
> > Otherwise, setting CMAKE_PREFIX_PATH is more straightforward, I assume
> > it should also work on Windows.
>
> Now the 4.6-release compiles perfectly (with Christians new FFTW3
> search) - with native x64 versions of:
> - *gsl*/gslcblas x64 (1.15)
> - *fftw3f* x64 (3.3)
> - *libxml2* (2.7.6) / libiconv (1.14)
>
> When using CMAKE_PREFIX_PATH, the build command
> reduces to:
>
> mkdir gromacs-build
> cd gromacs-build
>
> cmake -G "Visual Studio 10 Win64"       ^
>  -DCMAKE_INSTALL_PREFIX="D:/Gromacs46"  ^
>  -DCMAKE_PREFIX_PATH=D:/Lib64           ^
>  -DGMX_GSL=ON                           ^
>  -DCMAKE_C_FLAGS=" /openmp /wd4273 /DGSL_DLL /DFFTW_DLL /DWIN32
> /D_WINDOWS /W3 /Zm1000" ^
>   ..\gromacs
>

Why do you need the /D(GSL|FFTW)_DLL options? For FFTW it seems to work
without (never tried GSL on Windows)?

devenv Gromacs.sln /build Release ^
>    /project ALL_BUILD /projectconfig Release ^
>    /project RUN_TESTS /project INSTALL
>
> (with '^' beeing the "line continuation" in windows cmd scripts.)
>
> To make this happen, there are two minor patches in src/tools/geminate.c
> and src/tools/gmx_kinetics.c necessary.
> (
> http://spule.compch.tu-freiberg.de/~wahab/gromacs/win.4.6-dev-20120226.diff
> )
> I already "comitted" them to a newly created gerrit-account
> but I'm not sure if I made no mistake.
>
I can't see them on https://gerrit.gromacs.org . Let me know if you need
help.

Roland


> If desired, I'd prepare rar file containing the
> .dlls (for the binares), the libs and the headers
> (for building) - plus some instructions like
> setting of environment variables.
> (http://spule.compch.tu-freiberg.de/~wahab/gromacs/GMX_Lib64.rar)
>
> For DCMAKE_PREFIX_PATH to work, there seems to exist a naming
> convention which I met after trial & error:
>   XML:        libxml2.lib
>   GSL:        gsl.lib
>   GSL_CBLAS:  gslcblas.lib
>   FFTW:       fftw3f.lib
>
> Thank you for your help
>
> M.
>
>
>
>
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>
>


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