[gmx-users] A question on GROMACS installation on MAC (G4,OS X 10.3.2)
leehk at umich.edu
Fri Jan 9 15:03:01 CET 2004
Thank you for your answers. But, I still have same problems...
When I installed fftw-2.1.3.tar.gz in mac (G4, OS X 10.3.2), I already
used "--enable-float" for single precision. but, when I installed
gromacs there, I still had this error "configure: error: Cannot find
any single precision sfftw.h or fftw.h". I would like to know how I
can fix this problem....
On Jan 9, 2004, at 12:46 AM, David wrote:
> On Fri, 2004-01-09 at 04:36, Hwankyu Lee wrote:
>> Dear, gmx-users,
>> I'm trying to install gromacs into mac (G4, OS X 10.3.2), but I got a
>> lot of problems..
>> After I set up X-code, fink, and X11 in mac, and then I tried to
>> install Gromacs.
>> I searched for some answers through gromacs homepages, but I'm still
>> confused about that.
>> 1) One mentioned that X-darwin must be installed before we start to
>> install...I'm just using terminal after installing X-code,fink, and
>> X11....Do I really need to set up X-darwin and then install in
>> X-darwin?? I thought X-darwin and X11 are almost same...
> When you install OS X you can select somewhere to install X11, that
> be fine. You may however need additional development stuff, compilers
> and header files/libraries fro X. I don't know whether that is standard
> as well.
>> 2) One mentioned malloc.h file...but, I couldn't find the file in my
>> computer...Is that file necessary? If so, how can I solve this
> Don't know. That might relate to older Mac OS X.
>> 3) I installed fftw-2.1.3. When I installed gromacs, it was shown
>> "configure: error: Cannot find any single precision sfftw.h or
>> fftw.h"......In the gromacs homepage, some people said we may have to
>> install "fma" fftw to install in MAC...Also, some people said we need
>> to use fftw-2.1.5...At this moment, www.fftw.org doesn't work....I
>> wonder which one I have to choose....and also, if I choose the one,
>> I'll not have any problem to install gromacs ???
> ou have to give the option -enable-float to configure when buildin
> Any fftw 2.1.x is fine as far as gromacs is concerned, but not 3.0.
>> 4) And then, I did "make", I got several errors...I might have basic
>> problems....I would like to get some advice about this
>> situations...Could you give me any advice for that??
> First fix the fftw installation, the reconfigure gromacs.
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> David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax: 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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