Re: [AMBER-Developers] Makefile suggestions for AMBER and AMBER Tools

From: Carlos Simmerling <>
Date: Wed, 3 Mar 2010 22:32:09 -0500

NEB commit should be early tomorrow.

On Mar 3, 2010, at 10:20 PM, case <> wrote:

> On Wed, Mar 03, 2010, Ross Walker wrote:
>> I am still grappling with trying to merge pmemd into the makefiles
>> and
>> coming across all sorts of issues with building amber tools etc.
>> One thing I
>> wanted to canvas opinion on though was combining AMBER and AMBERTools
>> building. One idea I thought would be to have a single master
>> makefile that
>> has various rules to call Makefile_at and a new Makefile_amber
> Please leave off trying to make things like a "single master makefile"
> until you have a chance to see what the tree will look like in the
> release
> candidates. There will no longer be a "Makefile_at" at that point,
> and
> the build process will be much cleaner. One might still want some
> master
> test (although right now, I can't see that much is gained by doing
> that),
> but trying to merge Amber11 and AmberTools off the present CVS tree
> structure will just cause me to tear my hair out.
> Also, please be careful with fixing "all sorts of issues with
> building amber
> tools etc." We are very close to having too many cooks stirring the
> broth
> here. If you have specific suggestions, please just post them, but
> don't do
> anything in CVS that does more than very localized fixes for clear
> problems.
> These comments apply to everyone, not just Ross. I'd like to ask
> people
> to dramatically scale back commits to CVS over the course of the
> next few
> days: I'm expecting NEB commits soon, plus some (localized?) work on
> sqm/PM6,
> plus CUDA improvements, and (I guess) some new code for keeping
> track of
> pieces of the energy in sander. But we are past the point of saying
> "hey,
> I see a great way to make the code cleaner", or "hey, I can get rid of
> some innocent warning this compiler is spitting out."
> If you feel you want to help, PLEASE, look at the Users' Manuals:
> update the
> references, fix both the out-and-out errors and the (more common)
> ambiguous
> or confusing wording.
> ...thanks...dac
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Received on Wed Mar 03 2010 - 20:00:02 PST
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