[gmx-users] gromacs 4.5.5 on Cygwin

[Mark Abraham]

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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