****** EQUIV PROGRAM - Rel. 2.1 20/10/2004 ****** Instructions for installation --- Unix version last update 20/10/2004 (see also the 'upgrades' file) ************************************************** * * * By Mauro Prencipe * * Dip. Scienze Mineralogiche e Petrologiche * * Universita' di Torino * * Via Valperga Caluso 35 * * 10125 Torino - Italy * * * * Tel. +39-11-6707131 * * Fax. +39-11-6707128 * * * * e-mail: mauro.prencipe@unito.it * * * ************************************************** The program will run on platforms running Unix based operative systems (Linux included) or DOS/Windows. The GUI interface will run on platforms with Tcl/Tk language installed. **** New Release 2.1 (20/10/2004) ***** INSTALLATION - Linux/Unix 1) Download the file equ_gui.tar.gz and move it in a temporary directory; 2) from the temp. directory, uncompress it with "gzip -d equgui.tar.gz" and untar with "tar -xvf equgui.tar"; 3) open the file eq_install to properly set the WISH variable, as specified in the file itself; check also the makefile to specify the fortran compiler and its options; 4) run ./eq_install and follow the instructions (you should get root privileges to install the package, unless it is installed under your home directory tree). Note: eq_install will ask several questions (y/n switches or directory names); if you need to repeatedly install the package, all the (default) answers to such questions can be written, as a single row, in the file equconf (a sample equconf.orig file is provided). The installation program will check for the existence of such file and, if it exists, the package will be installed without asking any question. To start the program, type "equiv" or "equ_gui" (the latter, if Tcl/Tk is also installed) at the Unix prompt. Documentation about Equiv can be found in the file equiv.hlp (ascii file) and in the gui.hlp file; both files can be viewed form the graphical interface (Help menu). An "html" help is also provided: open the help.html file (in the installation directory) with your preferred browser. You can shift the html help wherever you want, provided you also shift the help_file directory with its content. -------------------------------- - Windows 1) Download the file equiv.zip in a temporary directory; 2) unpack the file equiv.zip (Winzip), specifying c:\ as the directory where the files have to be written (this will create the c:\equiv directory); 3) if you put the package in a directory different from c:\equiv, open equ_gui.tcl and set the correct directory (e.g. set DIR c:/mydir/equlib. Note the "Unix style" in writing directories: use / instead of \); 4) if you like, create a link on the desktop pointing to equ_gui.tcl (see your Windows manual for details on links). Note: for Windows version, it is not possible to change the font used by the application from within the application itself. Default font is "courier 8"; you can change this, by editing the file equguirc and directly setting the variable font_dos with a new valid font name. It is advisable to use fixed type fonts. The general help for equiv is provided both as an ascii file (equiv.hlp) and an html suite of files. You can view the html-help within the Graphical Interface, by setting the variable exp_com, in the equguirc file, with the name of your preferred browser program; under Win98, the Microsoft Internet Explorer is in the directory "c:/programmi/Internet Explorer" (command name iexplore.exe); in this case, the relevant entry in equguirc is: set exp_com c:/programmi/Internet\ Explorer/iexplore.exe Note, the Unix style of writing the directories and the backslash (\) to "quote" the space in the directory name "Internet Explorer". **** IMPORTANT **** Upon registration, you will be able to download the passfile which must be copied in the equlib directory of the package. Windows tends to recognize such file as a text file and adds to it the .txt extension; the easiest way to cope with this problem is to edit the file refer (in the equlib directory) and to modify the line set cmd(passfile) $DIR/passfile in set cmd(passfile) $DIR/passfile.txt -------------------------------------------------------- The program requires (i) a reflection file named DATA.INP, containing (in free format) "h k l F (or F^2 or I) sigma" cards (one for each reflection); (ii) a file of instructions for processing the reflections in DATA.INP, named INFO.INP; a suitable default INFO.INP file is generated using the "smart" program or the GUI interface. See also the 'upgrades' file and the NOTES below. ------------------------------------------------------------- REGISTRATION Users should send the registration form provided in the package (reg.txt) to the e-mail address mauro.prencipe@unito.it. Registered users will receive a password file to get full functionality of the GUI interface (the file is to be copied in the equlib directory). Moreover, they will receive program updates and, if needed, assistance for installation and usage of equiv. You can also use the on-line registration form provided at the page http://www.prencipe.net/nuova_cartella/equiv.html The program should be referenced as: Prencipe M. (2003): Equiv 2.0: a program for the analysis of equivalent reflections from single-crystal data collections. J. Appl. Cryst., 36, 1486. ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ FILES (Linux/Unix) - Fortran modules: commequ.f common and parameter block equstat.f main fortran module condout.f external routine smart.f smart program c_smart.f tras.f tras program c_tras.f symm.inp symmetry information - Scripts and installation files (shell): eq_install installation script (csh) equiv.inst main module of the equiv script (csh) inter interactive module of equiv (csh) equhelp documentation (csh) gui_inst main module of the GUI equiv (wish) equproc procedures for gui_inst (wish) console console procedures (wish) smartproc tras and smart GUI interfaces (wish) equguirc configuration file for gui_inst (wish) search interface for SEAR card (wish) makefile makefile for fortran compilation equconf.orig copy to equconf for fast installation passfile provided upon request reg.txt registration form - Documentation: equiv.hlp main equiv help gui.hlp GUI equiv help upgrades upgrades to the equiv package since release 1 README this file help.html html help help_file/*.html html files under the help_file directory - Sample files: sample.hkl hkl data file sample.inp processing file sample2.inp processing file sample.txt sample output ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ NOTES: (1) - In the fortran module equstat.f, a couple of instructions are system dependent: 'call date(tod)' and 'call time(tim)'; they call 2 routines for getting date and time of the run. If you have any problem, in compilation, due to such calling, comment the following lines (that is, put a 'c' character at the beginning of each line): ----------------- call date(tod) call time(tim) write(4,222)tod,tim 222 format(50x,a9/50x,a8// * ' Equiv utility program *** Rel. 1.3 3/11/1998'/ * ' Unix Version - By M. Prencipe'//) ----------------- Eliminate the 'c' in the lines: ----------------- c write(4,222) c222 format(/' Equiv utility program *** Rel. 1.3 3/11/1998'/ c * ' Unix Version - By M. Prencipe'//) ----------------- and compile again. Possible compilation errors (due to the position of "data" block) can occur with the older fort77 Linux compiler; g77 doesn't generate any error. ---- (2) - Equstat reads a symmetry information file (symm.inp) which must be present in the working directory when running the program. Both the GUI and the c-shell driven facilities will worry to copy such file from the equlib directory of the package to the working directory; in case equstat is run outside any interface, the user has to manually provide the file. +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ For any problem, contact the author: Dr. Mauro Prencipe Dept. Scienze Mineralogiche e Petrologiche University of Torino e-mail: mauro.prencipe@unito.it