[gmx-users] compiling gromacs 3.1.3 on MacOSX

Valentin Gogonea v.gogonea at csuohio.csuohio.edu
Sat May 25 23:47:19 CEST 2002


Rams,

I did all that you have mentioned. I got bash also from Apple site.

For some reason it looks like there is a problem with writing the 
config.status. It can be a problem with the difference between unix and 
Mac format. When it starts to create Makefiles, it starts complaining 
about finding "unescaped newline inside substitute pattern". Finally the 
Makefile (created empty) is in Mac format and not unix.

I wonder if anybody else experienced this.

On Saturday, May 25, 2002, at 04:34 PM, rams at poori.biochem.uiowa.edu 
wrote:

> Valentin,
>
> YOu have to make sure that after you have installed fink you have
> the /sw/bin/init.csh in your .cshrc file.
>
> then set the flags to /sw/..  that is where fftw is
>
> then I did
> /bin/bash ./cofigure
>
> I am assuming that you installed bash - else, I installed it from Apples
> download site...
>
> Hm!! cant think of anythign special that I did..
>
> Rams.
>
> On Sat, 25 May 2002, Valentin Gogonea wrote:
>
>> Thanks David,
>>
>> I did some progress with your suggestion, but I don't get a Makefile in
>> the end but a lot of error messages like that:
>>
>> configure: creating ./config.status
>> config.status: creating Makefile
>> sed: 48: /tmp/cs22770-12132/subs-1.sed: unescaped newline inside
>> substitute pattern
>> sed: 3: /tmp/cs22770-12132/subs-2.sed: invalid command code m
>> config.status: creating src/Makefile
>> sed: 48: /tmp/cs22770-12132/subs-1.sed: unescaped newline inside
>> substitute pattern
>> sed: 3: /tmp/cs22770-12132/subs-2.sed: invalid command code m
>>
>> I am running /configure from bash shell. Do you have any suggestion on
>> how to proceed?
>>
>> Thank you,
>>
>>   Valentin
>>
>> On Saturday, May 25, 2002, at 03:13 PM, David van der Spoel wrote:
>>
>>> On Sat, 25 May 2002, Valentin Gogonea wrote:
>>>
>>>> Rams,
>>>>
>>>> I reformat the disk, reinstalled OSX and fink and than installed g77
>>>> and
>>>> fftw with fink. So when I tried to install gromacs
>>>>
>>>> ./configure --disable-float  --disable-altivec-ppc
>>>>
>>>> I got the following error:
>>>>
>>>> configure: error: Cannot find any double precision dfftw.h or fftw.h
>>>> Do you have double precision FFTW installed? If you are using 
>>>> packages,
>>>> note that you also need fftw-devel to compile GROMACS. You can find 
>>>> the
>>>> software at www.fftw.org, and detailed instructions at 
>>>> www.gromacs.org
>>>
>>> Try setting the env flags to find fftw:
>>> setenv CPPFLAGS -I/opt/fftw/include
>>> setenv LDFLAGS -L/opt/fftw/lib
>>>
>>> or wherever you have it installed...
>>>
>>> Groeten, David.
>>> ________________________________________________________________________
>>> Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
>>> Husargatan 3, Box 576,  	75123 Uppsala, Sweden
>>> phone:	46 18 471 4205		fax: 46 18 511 755
>>> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
>>> +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>>> +
>>>
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>
> --
> S. Ramaswamy
> Department of Biochemistry.
> University of Iowa.
>
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