Re: [AMBER] XLeap Install Issue

From: Mark Zottola <>
Date: Fri, 12 Oct 2012 21:11:00 -0400


I only installed through the Cygwin installer additional X11 packages which
may have contained the header files I needed. Since they were still not in
the place where the makefile expected them, I moved the header files from
where they were to where they needed to be (actually a copy instead of a

I guess I am sol as you are working on a virtual XP machine and I am on
 real Windows 7 box. Well I can only hope this resolves itself as I can
appreciate the bane of being a graduate student.

Thanks for taking time away from the research. I do know what that means
and I am appreciative. I will muddle on and hope I can find solutions.


On Fri, Oct 12, 2012 at 7:47 PM, Jason Swails <>wrote:

> On Fri, Oct 12, 2012 at 7:32 PM, Mark Zottola <> wrote:
> > Jason,
> >
> > Thanks for your earlier clue on mtkpp. I do not anticipate needing to
> > estimate metal parameters. No loss there.
> >
> > Now I now have an issue with building xleap. I have included below the
> > error messages. As you can see, make is looking for shape.h. I did a
> > global find and did not locate this file. A search of the
> > Vanderbilt-hosted AMBER mail reflector archive said that shape.h should
> be
> > included in the X11. I downloaded some extra X11 packages which had
> > shape.h and a few other necessary files, moved them to the extensions
> > directory where the make file wanted them to be and reran the install.
> >
> I'm confused about what you did here. Did run the Cygwin installer again
> and select all of the X11 packages? Or did you literally just download
> some X11 packages from some website and dump the header files into XHOME or
> something?
> You should be installing all Amber-required packages through the Cygwin
> installer. Do you have the 4 packages under X11 from my Wiki installed?
> (libXt-devel, xinit, xorg-scripts, and xorg-server-devel?) It may be
> worth checking this again and trying to install some additional X11
> packages (especially if you can find out which ones contain your missing
> header files).
> Unfortunately I have access only to a Windows XP virtual machine (grad
> student == rather-limited-resources), with only finite time to make sure
> everything continues to work amidst updates, so I can't guarantee my
> tutorial will work completely for you...
> HTH,
> Jason
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Fri Oct 12 2012 - 18:30:02 PDT
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