<br><br><div class="gmail_quote">On Mon, Feb 27, 2012 at 5:16 PM, Mirco Wahab <span dir="ltr"><<a href="mailto:mirco.wahab@chemie.tu-freiberg.de">mirco.wahab@chemie.tu-freiberg.de</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Am <a href="tel:27.02.2012%2015" value="+12702201215">27.02.2012 15</a>:57, schrieb Szilárd Páll:<br>
<div class="im">> There is nothing Windows specific about this, the FFTW detection has<br>
> been changed recently and the docs have not been up to date. In fact<br>
> the CMake documentation needs major revision. For now I've updated the<br>
> main CMake docs, but not the Windows specific page.<br>
><br>
> Otherwise, setting CMAKE_PREFIX_PATH is more straightforward, I assume<br>
> it should also work on Windows.<br>
<br>
</div>Now the 4.6-release compiles perfectly (with Christians new FFTW3<br>
search) - with native x64 versions of:<br>
- *gsl*/gslcblas x64 (1.15)<br>
- *fftw3f* x64 (3.3)<br>
- *libxml2* (2.7.6) / libiconv (1.14)<br>
<br>
When using CMAKE_PREFIX_PATH, the build command<br>
reduces to:<br>
<br>
mkdir gromacs-build<br>
cd gromacs-build<br>
<br>
cmake -G "Visual Studio 10 Win64" ^<br>
-DCMAKE_INSTALL_PREFIX="D:/Gromacs46" ^<br>
-DCMAKE_PREFIX_PATH=D:/Lib64 ^<br>
-DGMX_GSL=ON ^<br>
-DCMAKE_C_FLAGS=" /openmp /wd4273 /DGSL_DLL /DFFTW_DLL /DWIN32<br>
/D_WINDOWS /W3 /Zm1000" ^<br>
..\gromacs<br></blockquote><div><br></div><div>Why do you need the /D(GSL|FFTW)_DLL options? For FFTW it seems to work without (never tried GSL on Windows)?</div><div><br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
devenv Gromacs.sln /build Release ^<br>
/project ALL_BUILD /projectconfig Release ^<br>
/project RUN_TESTS /project INSTALL<br>
<br>
(with '^' beeing the "line continuation" in windows cmd scripts.)<br>
<br>
To make this happen, there are two minor patches in src/tools/geminate.c<br>
and src/tools/gmx_kinetics.c necessary.<br>
(<a href="http://spule.compch.tu-freiberg.de/~wahab/gromacs/win.4.6-dev-20120226.diff" target="_blank">http://spule.compch.tu-freiberg.de/~wahab/gromacs/win.4.6-dev-20120226.diff</a>)<br>
I already "comitted" them to a newly created gerrit-account<br>
but I'm not sure if I made no mistake.<br></blockquote><div>I can't see them on <a href="https://gerrit.gromacs.org">https://gerrit.gromacs.org</a> . Let me know if you need help.</div><div> </div><div>Roland</div>
<div><br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<br>
If desired, I'd prepare rar file containing the<br>
.dlls (for the binares), the libs and the headers<br>
(for building) - plus some instructions like<br>
setting of environment variables.<br>
(<a href="http://spule.compch.tu-freiberg.de/~wahab/gromacs/GMX_Lib64.rar" target="_blank">http://spule.compch.tu-freiberg.de/~wahab/gromacs/GMX_Lib64.rar</a>)<br>
<br>
For DCMAKE_PREFIX_PATH to work, there seems to exist a naming<br>
convention which I met after trial & error:<br>
XML: libxml2.lib<br>
GSL: gsl.lib<br>
GSL_CBLAS: gslcblas.lib<br>
FFTW: fftw3f.lib<br>
<br>
Thank you for your help<br>
<div class="HOEnZb"><div class="h5"><br>
M.<br>
<br>
<br>
<br>
<br>
--<br>
gmx-developers mailing list<br>
<a href="mailto:gmx-developers@gromacs.org">gmx-developers@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-developers" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-developers</a><br>
Please don't post (un)subscribe requests to the list. Use the<br>
www interface or send it to <a href="mailto:gmx-developers-request@gromacs.org">gmx-developers-request@gromacs.org</a>.<br>
<br>
<br>
<br>
<br>
</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>