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Hello.<br><br>I tried the following<br><br><pre>export CPPFLAGS="-I/home/joe/programs/fftw/include"
export LDFLAGS="-L/home/joe/programs/fftw/lib"</pre>then <br><br><span style="font-family:courier new,courier,monospace;">./configure --with-fft=fftw3</span><code><br><br>And it still gives me the same error<br><br>configure: error: Cannot find fftw3f library.<br><br>Please help :(<br></code>Suhaila<br><br><div><div id="SkyDrivePlaceholder"></div>> Date: Sun, 18 Mar 2012 14:28:11 -0400<br>> From: jalemkul@vt.edu<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] FW: Problem installing Gromacs: What next?<br>> <br>> <br>> Please be sure to keep the discussion on the mailing list and not my personal email.<br>> <br>> You may need to specify the location of the fftw installation using LDFLAGS and <br>> CPPFLAGS for the libraries and headers, respectively. See example usage at:<br>> <br>> http://www.gromacs.org/Documentation/Installation_Instructions#Using_autoconf<br>> <br>> -Justin<br>> <br>> Suhaila Haji Mohd Hussin wrote:<br>> > <br>> > > Date: Sun, 18 Mar 2012 14:13:29 -0400<br>> > > From: jalemkul@vt.edu<br>> > > To: gmx-users@gromacs.org<br>> > > Subject: Re: [gmx-users] FW: Problem installing Gromacs: What next?<br>> > ><br>> > ><br>> > ><br>> > > Suhaila Haji Mohd Hussin wrote:<br>> > > > OK. I downloaded Gromacs 4.5.5. Unpacked it then type<br>> > > ><br>> > > > ./configure<br>> > > ><br>> > > > configure: error: Cannot find fftw3f library<br>> > > ><br>> > > > But I already install fftw3 properly.<br>> > > ><br>> > > > What is happening?<br>> > > ><br>> > ><br>> > > The commands below will install double-precision fftw, but Gromacs is <br>> > single<br>> > > precision by default. The precisions must match. The proper commands <br>> > for fftw<br>> > > in this case (as noted on<br>> > > <br>> > http://www.gromacs.org/Documentation/Installation_Instructions#Details_for_building_the_FFTW_prerequisite) <br>> > <br>> > > would be:<br>> > ><br>> > > ./configure --enable-float<br>> > > make<br>> > > make install<br>> > ><br>> > > -Justin<br>> > ><br>> > > > Cheers,<br>> > > > Suhaila.<br>> > > ><br>> > > > From: bell_beauty12@hotmail.com<br>> > > > To: gmx-users@gromacs.org<br>> > > > Subject: Problem installing Gromacs: What next?<br>> > > > Date: Mon, 19 Mar 2012 05:53:20 +1200<br>> > > ><br>> > > > Hello.<br>> > > ><br>> > > > I already installed fftw3. After unpacking it, I install via the <br>> > following:<br>> > > ><br>> > > > ./configure<br>> > > > make<br>> > > > make install<br>> > > ><br>> > > ><br>> > > > But after that the instructions are not clear to me. Like, it's not<br>> > > > telling where do I download Gromacs tar?<br>> > > > Or do I need to type some command from fftw so that Gromacs should<br>> > > > automatically built?<br>> > > ><br>> > > > I'm so confused. The instructions for beginners are very vague &<br>> > > > frustrating.<br>> > > ><br>> > > > Please help,<br>> > > > Suhaila.<br>> > > ><br>> > > ><br>> > ><br>> > > --<br>> > > ========================================<br>> > ><br>> > > Justin A. Lemkul<br>> > > Ph.D. Candidate<br>> > > ICTAS Doctoral Scholar<br>> > > MILES-IGERT Trainee<br>> > > Department of Biochemistry<br>> > > Virginia Tech<br>> > > Blacksburg, VA<br>> > > jalemkul[at]vt.edu | (540) 231-9080<br>> > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br>> > ><br>> > > ========================================<br>> > > --<br>> > > gmx-users mailing list gmx-users@gromacs.org<br>> > > http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> > > Please search the archive at <br>> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> > > Please don't post (un)subscribe requests to the list. Use the<br>> > > www interface or send it to gmx-users-request@gromacs.org.<br>> > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br>> > <br>> > It's still giving me the same error :(<br>> > <br>> > Suhaila.<br>> > <br>> <br>> -- <br>> ========================================<br>> <br>> Justin A. Lemkul<br>> Ph.D. Candidate<br>> ICTAS Doctoral Scholar<br>> MILES-IGERT Trainee<br>> Department of Biochemistry<br>> Virginia Tech<br>> Blacksburg, VA<br>> jalemkul[at]vt.edu | (540) 231-9080<br>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br>> <br>> ========================================<br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br></div>                                            </div></body>
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