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UNIX Installation notes for EXPGUI

Note that root access is not required to load GSAS, Tcl/Tk and EXPGUI.

0. Prerequisites

I will assume that you already have the Tcl/Tk package loaded on your computer. If this is not true, please see http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html for installation instructions. Please note that EXPGUI seems to run very slowly in Tcl/Tk version 8.1, but OK in 8.0 and 8.2.

Likewise, I will assume you have also loaded the appropriate GSAS release, if not see http://www.ncnr.nist.gov/programs/crystallography/software/unixgsas.html for installation instructions.

More information about EXPGUI, including information on how it can be customized, can be found on web pages expgui.html and expgui_cfg.html, found in the gsas/expgui/doc directory.

1. EXPGUI Downloading

download file ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/expgui.tar.gz (~300 K) by shift-clicking on the previous link.

If you want to try the latest release (which may not have gotten a lot of testing, but probably has new bug fixes and capabilities) shift-click on ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/expgui_ALPHA.tar.gz

If you are using an older version of GSAS (before April, 2000) you may want to download the TCLDUMP program to speed and enhance liveplot and the EXPTOOL program which allows EXPGUI to add phases, histograms and atoms to .EXP files. More recent versions of GSAS include these programs in the distributions.

LINUX:
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/exe_linux/tcldump.tar.gz (~65 K)
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/exe_linux/exptool.tar.gz (~292 K)

Silicon Graphics:
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/exe_sgi/tcldump.tar.gz (~45 K)
ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/exe_sgi/exptool.tar.gz (~377 K)

Transfer the files by shift-clicking on the appropriate links.

2. EXPGUI Installation

A few short steps are needed to load EXPGUI on your computer.

2.1 Create a directory and restore the files

The EXPGUI scripts are set up to be run from a subdirectory in the main GSAS directory, by convention I assume the directory name expgui, but this is not required. Thus, if you have located the GSAS package in /usr/local/gsas (so that there is a directory /usr/local/gsas/exe, /usr/local/gsas/data, ...) I assume you will put these files in /usr/local/gsas/expgui but any subdirectory, such as /usr/local/gsas/tcl will work fine. Change the subsequent commands if GSAS is located somewhere other than /usr/local/gsas.

            cd    /usr/local/gsas
	    mkdir expgui
	    cd    expgui
	    gunzip <  [/path/]expgui.tar.gz  | tar xvf -

When restoring the GSAS files from the tar file, note that [/path/] in the example above indicates the location where you downloaded the tar file in section 2, above.

2.2a Installing a shortcut to EXPGUI in .cshrc

To use EXPGUI, you probably need to create an easy way to access it. One way to do this is to add an alias to your ~/.cshrc file:

                cat >> ~/.cshrc
                alias expgui "wish /usr/local/gsas/expgui/expgui"
                ^D

2.2b Installing EXPGUI in the path

Another way to simplify access to EXPGUI is to create a file which will execute the GUI script from a command in your system's path, for example /usr/bin.

                cat > /usr/bin/expgui
                wish /usr/local/gsas/expgui/expgui
                ^D
                chmod +x /usr/bin/expgui

2.2c Linking EXPGUI in the path

Another way to simplify access to EXPGUI is to create a link in your system's path to the GUI script. Note that you may need to modify the first line of /usr/local/gsas/expgui/expgui, if wish is located somewhere other than /usr/local/bin/wish.

                chmod +x /usr/local/gsas/expgui/expgui
                ln -s /usr/local/gsas/expgui/expgui /usr/bin/expgui

Note that in the above commands ^D means control-D.

2.3 Installing TCLDUMP

If not already present, the TCLDUMP program should be located with all of the GSAS executable files, for example in /usr/local/gsas/exe/.

            cd    /usr/local/gsas/exe
	    gunzip <  [/path/]tcldump.tar.gz  | tar xvf -

2.4 Installing EXPTOOL

If not already present, the EXPTOOL program should be located with all of the GSAS executable files, for example in /usr/local/gsas/exe/.

            cd    /usr/local/gsas/exe
	    gunzip <  [/path/]exptool.tar.gz  | tar xvf -

GSAS is written by Allen C. Larson and Robert B. Von Dreele, MS-H805, Los Alamos National Laboratory, Los Alamos, NM 87545. Problems, questions or kudos concerning GSAS should be sent to Robert B. Von Dreele at vondreele@lanl.gov

GSAS is Copyright, 1984-1997, The Regents of the University of California. The GSAS software was produced under a U.S. Government contract (W-7405-ENG-36) by the Los Alamos National Laboratory, which is operated by the University of California for the U.S. Department of Energy. The U.S. Government is licensed to use, reproduce, and distribute this software. Permission is granted to the public to copy and use this software without charge, provided that this notice and any statement of authorship are reproduced on all copies. Neither the Government nor the University makes any warranty, express or implied, or assumes any liability or responsibility for the use of this software.

EXPGUI is written by Brian H. Toby of the NIST Center for Neutron Research, Brian.Toby@NIST.GOV with help from Jonathan Wasserman.

EXPGUI is not subject to copyright. Have fun with it.

Neither the U.S. Government nor any author makes any warranty, expressed or implied, or assumes any liability or responsibility for the use of this information or the software described here. Brand names cited here are used for identification purposes and do not consitute an endorsement by NIST.

Brian Toby (Brian.Toby@NIST.GOV)
$Revision: 146 $ $Date: 2009-12-04 23:01:10 +0000 (Fri, 04 Dec 2009) $