M O P A C  7.01 for Linux    MTA ATOMKI, Debrecen,  June 21, 1995
==================================================================

These files contain the executables, and the patches 
necessary for using/recompiling MOPAC7 under Linux.
The precompiled binary was made under Slackware Linux 2.0
by using gcc 2.5.8 and f2c coming from the same Slackware
distribution. 

FILES

    README                    this file
    mopac7-bin-linux.tar.Z   precompiled binary and some test data
    mopac7-elf-linux.tar.gz  ELF binary for Slackware 3.0
    mopac7-linux.diff.Z      the 'unified' patch file

If you don't want to recompile MOPAC7, you need the binaries only.

INSTALLATION

1. Copy the executables into a proper place (say /usr/local/bin)
  
2. Check the mode/ownership of these files (chmod 755, owned by
   root.bin)

3. The following libraries are also required:

   libf2c.so.0 (DLL Jump 0.9pl2) => /lib/libf2c.so.0.9.2 or newer
   libm.so.4 (DLL Jump 4.5pl26) => /lib/libm.so.4.5.26 or newer
   libc.so.4 (DLL Jump 4.5pl26) => /lib/libc.so.4.5.26 or newer
 
Note: libf2c.so.0 comes with f2c, while libm.so.4 and libc.so.4 
      are probably installed together with your Linux system.

USAGE
   The user interface to MOPAC7 is a slightly mofied version
   of the original shell script obtained by Ivar Koppel
   (ivar@chem.ut.ee). You may want to customize this script
   file accordingly to your needs.

   Prepare a <jobname>.dat file for MOPAC input, then type:
    
      mopac  <jobname>

   Please, omit the .dat extension, since it will be appended
   automatically! If everything went well, then the result will
   be written into <jobname>.out (substitute the actual name in
   place of <jobname>.

WARNING: This is the Public Domain version of MOPAC, only for
         development use only, not for production work!

RECOMPILATION
   Recompilation can be done by using the f2c/gcc stuff.
   Besides the original source code (available by anonymous FTP
   from www.ccl.net as file mopac7.tar.Z in directory
   /pub/chemistry/software/SOURCES/FORTRAN/mopac7_sources)
   you only need the 'unified' patchfile: mopac7-linux.diff.Z
   which includes all of the bugfixes published earlier
   by        Serge Pachkovsky, ps@ocisgi7.unizh.ch, 
             Jiro TOYODA <toyoda@solaris.ims.ac.jp>, 
   Eberhard Heuser-Hofmann <vaxinf@chclu.chemie.uni-konstanz.de> 
        and  Dr. James Stewart (jstewart@fujitsu.com).

   After extracting the files, the .diff file should be applied.
   You type:  patch <mopac7-linux.diff   or something similar.

Note: Before starting with the compilation, file esp.rof should 
      be renamed to esp.f (assuming that you want to use it. If
      it is not your case then remove the CALL ESP from mopac.f).

   The patched Makefile will do the compilation, just type 'make'
   you may then type 'make install' (root access required) which 
   copies the executables to /usr/local/bin by default.
 

Enjoy!

This MOPAC7 adaptation for Linux was made available by:
                           ___  _                  _    _   Institute of
Dr. Istvan Cserny         / _ \| |_ ___  _ __ ___ | | _(_)  Nucl. Research
cserny@atomki.hu         | |_| | __/ _ \| '_ ` _ \| |/ / |  of Hung Acad Sci
Tel: +36 52 431-722/1231 |  _  | || (_) | | | | | |   <| |  H-4001 Debrecen
FAX: +36 52 416-181      |_| |_|\__\___/|_| |_| |_|_|\_\_|  POB 51, Hungary