[gmx-users] Installation with non standard location of fftw3

[Graham Kettlewell]

-----Original Message-----
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Justin A. Lemkul
Sent: Tuesday, 30 June 2009 1:57 PM
To: Gromacs Users' List
Subject: Re: [gmx-users] Installation with non standard location of fftw3



Graham Kettlewell wrote:
> Hi Justin,
> 
> Thanks for your quick reply. It turns out that the stuff I posted was malformed, as you pointed out, but it was a desperate attempt after a number of goes, and I got that one wrong. I tried again using:
> 
> -sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
> -sh-3.2$ export LDFLAGS=-L/hpc/sofware/packages/chemistry/fftw/lib
> -sh-3.2$ echo $CPPFLAGS
> -I/hpc/software/packages/chemistry/fftw/include
> -sh-3.2$ echo $LDFLAGS
> -L/hpc/sofware/packages/chemistry/fftw/lib
> 
> Is still got:
> 
> checking for fftw3.h... yes
> checking for main in -lfftw3f... no
> configure: error: Cannot find fftw3f library
> 
> exactly as before. I am kicking myself for posting the malformed stuff. Any ideas?
> 

How did you install FFTW?  What are the contents of the /lib directory?

I installed fftw3.2.1 using the tarball. As I remember it was:

tar -xzvf fftw-3.2.1.tar.gz
mkdir ../fftw
cd fftw-3.2.1
./configure --prefix /hpc/software/packages/chemistry/fftw
make
make install

I retyped this, so...

The contents of lib are:

-sh-3.2$ cd lib/
-sh-3.2$ ls -l
total 2196
-rw-r--r-- 1 grahamk uowstf 2230376 Jun 30 10:02 libfftw3.a
-rwxr-xr-x 1 grahamk uowstf     951 Jun 30 10:02 libfftw3.la
drwxr-xr-x 2 grahamk uowstf    4096 Jun 30 10:02 pkgconfig

Cheers,

graham

-Justin

> Cheers,
> 
> ****************************************
> Graham Kettlewell
> Research assistant
> Centre for Atmospheric Chemistry
> University of Wollongong
> grahamk at uow.edu.au
> Tel: (61 2) 4221 5120
> Fax: (61 2) 4221 4287
> Mob: 0414 309 524
> ****************************************
> 
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Justin A. Lemkul
> Sent: Tuesday, 30 June 2009 1:25 PM
> To: jalemkul at vt.edu; Discussion list for GROMACS users
> Subject: Re: [gmx-users] Installation with non standard location of fftw3
> 
> 
> 
> Justin A. Lemkul wrote:
> 
>>> -sh-3.2$ export CPPFLAGS=-I/hpc/software/packages/chemistry/fftw/include
>>> -sh-3.2$ export LDFLAGS=-I/hpc/software/packages/chemistry/fftw/lib
>>>
>> You want this line to contain -L, not -I.
> 
> That may have been a bit unclear; the LDFLAGS line should use -L, your CPPFLAGS 
> line is fine.
> 
> -Justin
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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