[gmx-users] Gromacs installation

Xavier xgallet at nautilusbiotech.com
Thu Jun 9 13:10:17 CEST 2005

Dear gmx-users,
I have some problems in the installation of gromacs, and particularly with
FFWT. I use a HP workstation running under Linux RedHat Enterprise WS3
I installed 2 RPM files for FFTW (fftw-2.1.3-2.i386.rpm and
I checked that files are located in /usr/local/include and libraries in
When I type ./configure, I obtain the following lines:
checking for sqrt in -lm... yes
checking for sfftw.h... yes
checking for main in -lsfftw... no
configure: error: Can't find a library to match the sfftw header

If I type the following commands before running ./configure:
> export CPPFLAGS=-I/usr/local/include
> export LDFLAGS=-L/usr/local/lib
... I always obtain the same error: "Can't find a library to match the sfftw
header" Thanks in advance for your help.


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