[gmx-users] FW: Problem installing Gromacs: What next?

[Suhaila Haji Mohd Hussin]

Hello.

I tried the following

export CPPFLAGS="-I/home/joe/programs/fftw/include"
export LDFLAGS="-L/home/joe/programs/fftw/lib"then 

./configure --with-fft=fftw3

And it still gives me the same error

configure: error: Cannot find fftw3f library.

Please help :(
Suhaila

> Date: Sun, 18 Mar 2012 14:28:11 -0400
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] FW: Problem installing Gromacs: What next?
> 
> 
> Please be sure to keep the discussion on the mailing list and not my personal email.
> 
> You may need to specify the location of the fftw installation using LDFLAGS and 
> CPPFLAGS for the libraries and headers, respectively.  See example usage at:
> 
> http://www.gromacs.org/Documentation/Installation_Instructions#Using_autoconf
> 
> -Justin
> 
> Suhaila Haji Mohd Hussin wrote:
> > 
> >  > Date: Sun, 18 Mar 2012 14:13:29 -0400
> >  > From: jalemkul at vt.edu
> >  > To: gmx-users at gromacs.org
> >  > Subject: Re: [gmx-users] FW: Problem installing Gromacs: What next?
> >  >
> >  >
> >  >
> >  > Suhaila Haji Mohd Hussin wrote:
> >  > > OK. I downloaded Gromacs 4.5.5. Unpacked it then type
> >  > >
> >  > > ./configure
> >  > >
> >  > > configure: error: Cannot find fftw3f library
> >  > >
> >  > > But I already install fftw3 properly.
> >  > >
> >  > > What is happening?
> >  > >
> >  >
> >  > The commands below will install double-precision fftw, but Gromacs is 
> > single
> >  > precision by default. The precisions must match. The proper commands 
> > for fftw
> >  > in this case (as noted on
> >  > 
> > http://www.gromacs.org/Documentation/Installation_Instructions#Details_for_building_the_FFTW_prerequisite) 
> > 
> >  > would be:
> >  >
> >  > ./configure --enable-float
> >  > make
> >  > make install
> >  >
> >  > -Justin
> >  >
> >  > > Cheers,
> >  > > Suhaila.
> >  > >
> >  > > From: bell_beauty12 at hotmail.com
> >  > > To: gmx-users at gromacs.org
> >  > > Subject: Problem installing Gromacs: What next?
> >  > > Date: Mon, 19 Mar 2012 05:53:20 +1200
> >  > >
> >  > > Hello.
> >  > >
> >  > > I already installed fftw3. After unpacking it, I install via the 
> > following:
> >  > >
> >  > > ./configure
> >  > > make
> >  > > make install
> >  > >
> >  > >
> >  > > But after that the instructions are not clear to me. Like, it's not
> >  > > telling where do I download Gromacs tar?
> >  > > Or do I need to type some command from fftw so that Gromacs should
> >  > > automatically built?
> >  > >
> >  > > I'm so confused. The instructions for beginners are very vague &
> >  > > frustrating.
> >  > >
> >  > > Please help,
> >  > > Suhaila.
> >  > >
> >  > >
> >  >
> >  > --
> >  > ========================================
> >  >
> >  > 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
> >  >
> >  > ========================================
> >  > --
> >  > gmx-users mailing list gmx-users at gromacs.org
> >  > http://lists.gromacs.org/mailman/listinfo/gmx-users
> >  > Please search the archive at 
> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> >  > Please don't post (un)subscribe requests to the list. Use the
> >  > www interface or send it to gmx-users-request at gromacs.org.
> >  > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > 
> > It's still giving me the same error :(
> > 
> > Suhaila.
> > 
> 
> -- 
> ========================================
> 
> 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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