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July 4, 2008
MOPAC 2002 Installation Instructions for Linux

  1. Obtain MOPAC 2002
    MOPAC 2002 is commercial software that is owned and copyrighted by Fujitsu. The software and a license must be obtained from a MOPAC dealer.
  2. Copy files from MOPAC CD-ROM
    $ su
    # mount /mnt/cdrom
    # cd /usr/local
    # more /mnt/cdrom/README
    # tar xvf /mnt/cdrom/LINUX.TAR
    # tar xvf /mnt/cdrom/DOC.TAR
    # umount /mnt/cdrom
  3. Change file ownerships
    # chown -R root:root mopac2002-v2.1
  4. Make symbolic link to mopac2002
    # ln -s mopac2002-v2.1 mopac2002
    # exit
  5. Read last minute information
    $ cd /usd/local/mopac2002
    $ more README
  6. Obtain license file
    $ bin/hardid (the program will display a hardware ID of the computer)
    Send this hardware ID to the e-mail address specified by your MOPAC dealer. Save the MOPAC.license file, which you will obtain by e-mail, into /usr/local/mopac2002/bin
  7. Set environment variable
    Set the environment variable M2KLIC to point to the MOPAC 2002 directory.
    In a c shell (csh or tcsh),
    $ setenv M2KLIC /usr/local/mopac2002/bin
    In a bash shell (sh, bash, ksh, or zsh),
    $ export M2KLIC=/usr/local/mopac2002/bin
    These environmental variables could also be set in .bashrc or .cshrc, so that they are automatically executed upon login.
  8. Setup user to run MOPAC and do test run
    There are many sample input files in
    /usr/local/mopac2002-v2.1/doc/mopac/mopac_examples
    and in
    /usr/local/mopac2002-v2.1/doc/mopac/ref_data
    You can run any of these sample input files to test mopac
    $ cd ~
    $ mkdir mopac
    $ cd mopac
    $ setenv M2KLIC /usr/local/mopac2002/bin (if using a c shell)
    or
    $ export M2KLIC=/usr/local/mopac2002/bin (if using a bash shell)
    $ cp /usr/local/mopac2002-v2.1/doc/mopac/mopac_examples/examples_in_manual/formaldehyde.mop test.dat
    $ /usr/local/mopac2002/bin/mopac2002 test
    $ more test.out

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