[gmx-users] Ubuntu Installation

[Justin A. Lemkul]

Sergio Manzetti wrote:
> Hi Justin, it was a blank ./configure
> 
> 

I don't know why a standard location like /usr/lib isn't be detected as 
containing the libraries, but you can set LDFLAGS and CPPFLAGS accordingly so 
that the libraries and headers are found.  See the installation instructions for 
details.

-Justin

> 
> On Tue, Jan 11, 2011 at 2:03 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>     Sergio Manzetti wrote:
> 
>         Dear users, I have installed FFTW3 successfully, and confirmed
>         its location using locate:
> 
> 
>         /home/m/Desktop/gromacs-4.5.3/src/mdlib/gmx_fft_fftw3.c
>         /usr/lib/libfftw3.so.3
>         /usr/lib/libfftw3.so.3.2.4
>         /usr/lib/libfftw3_threads.so.3
>         /usr/lib/libfftw3_threads.so.3.2.4
>         /usr/lib/libfftw3f.so.3
>         /usr/lib/libfftw3f.so.3.2.4
>         /usr/lib/libfftw3f_threads.so.3
>         /usr/lib/libfftw3f_threads.so.3.2.4
>         /usr/lib/libfftw3l.so.3
>         /usr/lib/libfftw3l.so.3.2.4
>         /usr/lib/libfftw3l_threads.so.3
>         /usr/lib/libfftw3l_threads.so.3.2.4
>         /usr/share/doc/libfftw3-3
>         /usr/share/doc/libfftw3-3/NEWS.gz
>         /usr/share/doc/libfftw3-3/README
>         /usr/share/doc/libfftw3-3/README.Debian
>         /usr/share/doc/libfftw3-3/changelog.Debian.gz
>         /usr/share/doc/libfftw3-3/changelog.gz
>         /usr/share/doc/libfftw3-3/copyright
>         /var/cache/apt/archives/libfftw3-3_3.2.2-1_i386.deb
>         /var/lib/dpkg/info/libfftw3-3.list
>         /var/lib/dpkg/info/libfftw3-3.md5sums
>         /var/lib/dpkg/info/libfftw3-3.postinst
>         /var/lib/dpkg/info/libfftw3-3.postrm
>         /var/lib/dpkg/info/libfftw3-3.shlib
> 
> 
>         However, when I try installing Gromacs 4.5.3 the -/configure
>         step yields:
> 
>         configure: error: Cannot find fftw3f library
> 
> 
>         What am I doing incorrectly?
> 
> 
>     Without seeing the command you gave to configure, it's impossible to
>     say.
> 
>     -Justin
> 
>         Sergio
> 
> 
>     -- 
>     ========================================
> 
>     Justin A. Lemkul
>     Ph.D. Candidate
>     ICTAS Doctoral Scholar
>     MILES-IGERT Trainee
>     Department of Biochemistry
>     Virginia Tech
>     Blacksburg, VA
>     jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>     http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
>     ========================================
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> 

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

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

========================================