On 22/04/2012 9:30 AM, vijaya subramanian wrote:
Hi
I am trying to install gromacs 4.5.5 on cygwin following the instructions in the wiki.
I first installed fftw3 using the following commands:
./configure --enable-float
make
make install

I then tried installing gromacs using:
./configure --disable-threads

as well as
./configure --disable-threads --enable-all-static

but I get the following error message and configure exits:

checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library

I checked /usr/local/lib, it has:
libfftw3f.a  libfftw3f.la  pkgconfig

Can anyone help with this issue.

configure doesn't look in /usr/local/lib by default. See http://www.gromacs.org/Documentation/Installation_Instructions#Using_autoconf

Mark
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