[gmx-developers] Minor CMAKE/fftw3 problem VS2010 x64 - finally solved
roland at utk.edu
Tue Feb 28 00:02:25 CET 2012
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" ^
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.
> 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
> 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.
> 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
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