[gmx-users] Fwd: installing Gromacs4.6.3 on cygwin

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Wed Sep 11 12:04:06 CEST 2013

On 11.09.2013 09:38, shahid nayeem wrote:
> I checked in folder
> /cygdrive/c/packages/gromacs-4.6.3/build/src/contrib/fftw/gmxfftw-prefix/lib/libfftw3.a
> , this file exists but perhaps `src/gmxlib/cyggmx_d-8.dll' is not able to
> locate it.

Did you 'cmake' with -DGMX_PREFER_STATIC_LIBS=ON ?

BTW, from time to time I installed cygwin (out of curiosity)
and installed gromacs in it. The actual cygwin/64 (gcc 4.8)
combined with gromacs 4.6.3 happened to be the first gromacs
installation on cygwin after many years that is really usable.

I used the fftw3 package that came with cygwin (I didn't
use -DGMX_BUILD_OWN_FFTW=ON) and everything build fine
(you'll need -DGMX_PREFER_STATIC_LIBS=ON). This fftw3 was
build without any optimizations but if you don't need
PME electrostatics, you don't have to care.

If you need PME, then you'll have to download the fftw3
to your cygwin home, build it manually (as Mark proposed)
and install it to /usr/local where gromacs will find it.



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