[gmx-users] installation of gromacs on windows using cygwin

Szilárd Páll szilard.pall at cbr.su.se
Fri Nov 5 10:52:43 CET 2010


If you have installed fftw3 in the standard location it whould work
out of the box. Otherwise, you have to set the LDFLAGS and CPPFLAGS to
the library and include location respectively.

However, there's one more thing I can think of: did you make sure that
you compiled fftw3 in single precision mode - case in which the libs
are named libfftw3f?


On Fri, Nov 5, 2010 at 8:30 AM, bharat gupta <bharat.85.monu at gmail.com> wrote:
> Hi there ..
> I have been trying to install gromacs on windows using cygwin .. and after
> the installation of the fftw3 package , the moment i install the gromacs
> using the first command ./configure .. It gives an error that fftw3 package
> cannot be located .. can anybody pls help find out where am I going wrong
> ...
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