Re: [AMBER-Developers] Near-final version of AmberTools 1.3

From: Sally Pias <sallypias.gmail.com>
Date: Wed, 23 Dec 2009 13:21:51 -0500

One very small concern: I downloaded AmberTools 1.3 from the Amber
website and unpacked it, in order to install AmberTools and Amber 10
together. AmberTools unpacked into a directory labeled amber11/ .
Does this need to be adjusted until Amber 11 is actually released?

Regards,
Sally Pias
--
Simmerling Research Group, Stony Brook University
sallypias.gmail.com
On Wed, Dec 23, 2009 at 12:29 AM, Mengjuei Hsieh <mengjueh.uci.edu> wrote:
> On Tue, Dec 22, 2009 at 10:30:24PM -0500, David A. Case wrote:
>> On Tue, Dec 22, 2009, Mengjuei Hsieh wrote:
>> > One problem I just found out in the tarball is that the FLIBSF in
>> > src/configure is not correct, it should not contain carpack and
>> > f2c. Here is a patch to the script and also corresponding change to PBSA
>> > Makefile.
>> I am lost: why do you think that FLIBSF doesn't need carpack and f2c? Won't
>> such a change break sander?
>> We could rework the various library variables in configure, but that should be
>> done with care.  Since carpack and f2c have to get compiled anyway, I don't
>> see any real loss in having the loader look at (and ignore) them.  Am I
>> missing something here?
>
> I thought the difference between FLIBSF and FLIBS should be the usage of
> C compiler in FLIBS, but apparently I misunderstood the meaning of it.
>
> The only potential issue of this is on the occasion of static linked
> binaries, so yes it indeed doesn't matter much systematically.
>
> Best,
> --
> Mengjuei Hsieh, Luo Research Group, Molecular Biology & Biochemistry,
> University of California Irvine.
>
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Received on Wed Dec 23 2009 - 10:30:02 PST
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