[gmx-users] Re: Req for GROMACS config in cygwin
Nuno R. L. Ferreira
nunolf at ci.uc.pt
Fri Jan 13 10:32:12 CET 2006
Cygwin running gmx was long time ago!
I no longer have that combination running. But, the problem seems to be on gmx not finding the fftw libraries.
When executing the configure script add the flags CPPFLAGS & LDFLAGS.
If the fftw was installed say at /opt/fftw, then try:
CPPFLAGS=-I/opt/fftw/include LDFLAGS=-L/opt/fftw/lib ./configure
I took the freedom to forward this message to the gmx-mailing list.
Hope it helps.
P.S. BTW, try a linux distro. You won't be disappointed.
----- Original Message -----
From: Nataraj Balakrishnan
To: nunolf at ci.uc.pt
Sent: Friday, January 13, 2006 5:30 AM
Subject: Req for GROMACS config in cygwin
I have seen your replies regarding usage of GROMACS in Cygwin in gmxuser forum. I am having a serious error while I run my configure program of gromacs. It ends up with the error of following last lines of the terminal.
checking for fseeko... yes
checking for sqrt in -lm... yes
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library
I stricly followed the steps of configuration and installation of fftw as per the guidliness GROMACS webpage. the FFTW installed without any
error generated. Infact I installed FFTW both as double precision and float option as per the guidliness in GROMACS webpage.
But it really a problem when comes to the GROMACS configuration.
Kindly help to fix the problem.
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