[gmx-users] Ubuntu Installation
Justin A. Lemkul
jalemkul at vt.edu
Tue Jan 11 14:19:57 CET 2011
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
========================================
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