Re: [AMBER] XLeap Install Issue

From: Jason Swails <>
Date: Sat, 13 Oct 2012 01:47:40 +0200

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

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...


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
Received on Fri Oct 12 2012 - 17:00:04 PDT
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