Re: [AMBER] compile ambertools on mac

From: Adelene Sim <adelene.stanford.edu>
Date: Mon, 26 Jul 2010 09:37:11 -0700 (PDT)

Thank you for the patch. I've tried installing Amber Tools 11 on snow leopard, based on the directions here http://amberonmac.blogspot.com/ (both with and without patch used), and get this error:

Undefined symbols:
  "_rfftwnd_f77_destroy_plan_", referenced from:
      ___rism3d_c_MOD_reallocbox in libnab.a(rism3d_c.o)
      ___rism3d_c_MOD_reallocbox in libnab.a(rism3d_c.o)
      ___rism3d_c_MOD_rism3d_destroy in libnab.a(rism3d_c.o)
      ___rism3d_c_MOD_rism3d_destroy in libnab.a(rism3d_c.o)
  "_rfftwnd_f77_one_real_to_complex_", referenced from:
      ___rism_fft_MOD_rlft3i in libnab.a(rism_fft.o)
  "_rfftw3d_f77_create_plan_", referenced from:
      ___rism_fft_MOD_fftw_make_plans in libnab.a(rism_fft.o)
      ___rism_fft_MOD_fftw_make_plans in libnab.a(rism_fft.o)
  "_rfftwnd_f77_one_complex_to_real_", referenced from:
      ___rism_fft_MOD_rlft3i in libnab.a(rism_fft.o)
ld: symbol(s) not found
collect2: ld returned 1 exit status
cc failed!
make[1]: *** [matgen] Error 1
make: *** [serial] Error 2


Do you know what could be wrong?

Thanks.

Adelene

----- Original Message -----
From: "case" <case.biomaps.rutgers.edu>
To: "AMBER Mailing List" <amber.ambermd.org>
Sent: Monday, July 26, 2010 7:06:27 AM
Subject: Re: [AMBER] compile ambertools on mac

On Sun, Jul 25, 2010, Mengjuei Hsieh wrote:
>
> I confirm that fftw2 could not be properly linked at least in Mac OS X
> 10.4.x. This is because the configure script of fftw2 does not handle
> later versions of gfortran built on 10.4.x and subsequently bails on
> testing with disabled fortran objects. A detail analysis shows that in
> my 10.4.x box, gfortran lists -lcrt1.o as one of the system library
> but the configure script doesn't like it.
>
> So a temporary solution would be to apply my patch (attached) in
> $AMBERHOME, and re-do the configure.
> $ cd $AMBERHOME; patch -p0 -N < fftw_prob.patch
> $ cd AmberTools/src; ./configure -macAccelerate gnu

Thanks. Two quick questions: is there a reason this patch should not be
applied in general? Second, is there any reason not to make the same change
at line 1315 as you make at line 1319?

....dac


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Received on Mon Jul 26 2010 - 10:00:04 PDT
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