[gmx-users] Ubuntu Installation

[Sergio Manzetti]

Thanks,

so  LDFLAGS /home/user/gmx
and CPPFLAGS /home/user/gmx  for example?

On Tue, Jan 11, 2011 at 2:19 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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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