Re: [AMBER-Developers] latest release candidate for AmberTools 1.3

From: case <case.biomaps.rutgers.edu>
Date: Tue, 8 Dec 2009 07:41:39 -0500

On Mon, Dec 07, 2009, Jason Swails wrote:

>
> As for my gfortran, I downloaded it from hpc.sourceforge.net, the snwleo
> gfortran binary. I have seen at least one compiler error (compiling
> pbforce.f in sander). If there's a different binary you think I should try,
> I'll give it a shot.

I could never get things to work with the compiler from sourceforge.
Following Mengjeui, I used the one from macports (install macports itself,
then type "sudo port install gcc45 +gfortran". It is really quite
frustrating that everything seems so sensitive; on the other hand, gcc 4.5
is listed as "beta", so perhaps problems are not so surprising. I don't
know if anyone has tried the macports version of gcc44 yet.

I suggested leaving goto out in order to have one less external thing that
might be failing on Snow Leopard.

>
> And Ray, are you going to upload the changes to the release tree? I'll
> rerun those tests again when the new version comes out and see how many of
> them are fixed.

Do a CVS update.

About ubuntu dash: Amber should not be using shell scripts that depend on
special features of bash. If someone can post to bugzilla where dash falls
down, we'll try to get it fixed.

We should also wean Amber from a dependence on csh, but that would be a
longer-term project....

...dac

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Received on Tue Dec 08 2009 - 05:00:03 PST
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