Re: [AMBER-Developers] AT15_Amber11

From: Jason Swails <>
Date: Sun, 17 Jul 2011 23:26:57 -0400

On Sun, Jul 17, 2011 at 9:38 PM, case <> wrote:

> On Sun, Jul 17, 2011, Ross Walker wrote:
> >
> > But why not have an AMBER Tools patch that updates the configure script
> to
> > do this anyway? I have some tweaks to configure but most are minor,
> > adjusting compiler flags etc so 'hopefully' it won't open a complete set
> of
> > incompatibility worms. If it does I think we just have to 'REQUIRE'
> > AmberTools 1.5 in which case we should probably have an AMBERTools 1.5
> patch
> > that updates the configure script to run the python automatically
> whenever
> > it is run and so make it easier for the user.
> Is the python script re-runnable? That is, if you run it twice in a row,
> does it barf, or just do nothing?

As long as nobody removes/modifies the first line from config.h (which is
used as a check to see if the script has been run on that config.h already
or not), it is re-runable. Any extra executions simply do nothing (even
though it says it's modifying files to work, those modifications were
already made and are not overwritten).

All the best,

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER-Developers mailing list
Received on Sun Jul 17 2011 - 20:30:02 PDT
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