Re: [AMBER] AmberTools17 and shape.h

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 5 Oct 2017 20:28:56 -0400

On Thu, Oct 5, 2017 at 7:26 PM, Christopher Benjamin Coffey <
Chris.Coffey.nau.edu> wrote:

> Thank you for your help David. CentOS is a clone of Red Hat Enterprise
> linux distro.




> We need xleap and I have all of those packages installed. I’ll keep trying!
>

I have different (non-optimal) solutions for you if you really want xleap

1. try the binary distribution with prebuilt xleap.
If I recall correctly, that should work.

http://ambermd.org/ (search "*Binary distribution")*

2. Install -noX11 with your intel compiler then install xleap with gnu
compiler.
This is how I test with centos:6.8 docker image

- Install stuff suggested here: http://ambermd.org/amber_install.html
(Installing Amber on Fedora core Linux section)

./configure --skip-python gnu
cd AmberTools/src && make ambermini # xleap and several others

3. Install everything with GNU compiler and install pmemd with intel (if
you really want this compiler).

.Dave: Nice thing about docker is that we can try various Linux
distribution.


Hai


>
> Best,
> Chris
>
> —
> Christopher Coffey
> High-Performance Computing
> Northern Arizona University
> 928-523-1167
>
>
> On Thu, Oct 05, 2017, Christopher Benjamin Coffey wrote:
> ShapeWidg.c(27): catastrophic error: cannot open source file
> "X11/extensions/shape.h"
> #include <X11/extensions/shape.h>
>
> First idea: add "-noX11" to the arguments to configure. Then you are set
> if you don't need xleap.
>
> If you do need xleap: we have to figure out what packages might be missing.
> From the $AMBERHOME/AmberTools/configure2 script, there are these
> comments:
>
> On new Fedora OS's install the libXt-devel libXext-devel"
> " libX11-devel libICE-devel libSM-devel packages."
> " On old Fedora OS's install the xorg-x11-devel
> package."
> " On RedHat OS's install the XFree86-devel package."
>
> Unfortunately, no one has indicated what to do for various versions of
> CentOS.
> If it is like "Redhat", then be sure that you have installed the
> XFree86-devel package.
>
> [Developers: can someone with access to CentOS please update this web page:
>
> ambermd.org/amber_install.html
>
> Please include the exact command to install all needed packages, not just
> X11-related ones. Also, these package lists can get out of date quickly:
> if you see any problems with the lists that are already there, please
> correct them.]
>
> ...hope this helps...it *should* be just a matter of identifying the
> correct
> packages to install for your flavor of Linux.
>
> ....dac
>
>
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Received on Thu Oct 05 2017 - 17:30:02 PDT
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