Re: [AMBER] Problem configuring amber14

From: David A Case <dacase.scarletmail.rutgers.edu>
Date: Wed, 21 Oct 2015 15:58:05 -0400

On Wed, Oct 21, 2015, Mochena, Mogus D. wrote:

> I have downloaded ambertools and trying to configure following
> instructions from amber15.pdf. My operating system is Mac O S X 10.11
> (El Captan). I have used Xcode 7.0.1 to get gnu compilers gcc and g++;
> gfortran was not included, so I installed it separately.

Not sure exactly what you did in the last step, but it looks like your gcc
compiler doesn't know where to find the fortran libraries. This makes sense,
since you installed them separately, and it looks(?) like gfortran may be in
a non-standard place.

> ld: library not found for -lgfortran

It's hard to use Apple's compilers, since they don't seem to provide a
gfortran.

I recommend following the path laid out by Jason Swails:

  http://jswails.wikidot.com/installing-amber14-and-ambertools14

Lots on this page sounds outdated (AmberTools 15 works the same as
AmberTools14, and there could be some El Capitan gotchas, but this is a good
start. Using Macports will give you a consistent set of tools, and there are
lots of Amber developers with experience going this route.

....good luck....dac


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Received on Wed Oct 21 2015 - 13:00:06 PDT
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