Re: [AMBER] AmberTools 15, Mac El Captain and Fink

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 26 Oct 2015 21:02:23 -0400

On Mon, Oct 26, 2015 at 7:24 PM, Alan <alanwilter.gmail.com> wrote:

> Hi Ross,
>
> I am aware of Jason solutions. I just wanted to avoid going through the
> pains of installing MacPorts… I am going to wait a bit more before doing
> so.
>

Fink is really easier than MacPorts? I didn't know it was even used much
anymore, with Homebrew coming onto the scene...

In any case, MacPorts seems pretty simple to install for me, and once they
have a buildbot set up with El Cápitan on it, MacPorts will operate via
binary downloads rather than source code builds for most packages (it took
me ~30 minutes to set up MacPorts, XCode, and all of the packages needed to
run Amber on a new Yosemite box, with half of that time spent downloading
and installing MacPorts). But I'm not willing to break my setups to jump
to the newest OS as soon as it comes out anymore :).

However, one thing you could try is to try to configure with clang instead
of gnu. This will use the standard XCode compilers for all of the C/C++
stuff and then gfortran for the Fortran stuff. It should also know where
to get libgfortran to perform the cross-linking.

​What I use on my Apple computers is the following command:

./configure -macAccelerate clang

Also, is there no way of getting fink to set up links so that you can just
say "gfortran" instead of "gfortran-fsf-52" or whatever crazy thing Fink
wants you to call it? MacPorts has a nifty little thing like

port select gcc mp-gcc49

and bam, "gfortran" is gfortran 4.9. Other alternatives are to set up
symlinks yourself (so that gfortran points to gfortran-fsf-52-whatever) or
do a global search-and-replace gfortran -> gfortran-fsf-52-whatever in the
configure2 script.

Or maybe the binaries you downloaded from Fink only build 32-bit symbols?
I'm not sure, as I have no experience with Fink.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Oct 26 2015 - 18:30:03 PDT
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