MOPAC 2000 Installation Instructions for Linux

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March 10, 2010

MOPAC 2000 Installation Instructions for Linux

Obtain MOPAC 2000
MOPAC 2000 is distributed both on CD and as a tar/gzip file. If you obtained MOPAC as a tar file, it must be uncompressed as follows:
% tar zxvf M2KCD.tgz (this creates a M2KCD subdirectory)

Install MOPAC 2000
% su
# cd /usr/local
# mkdir mopac2000
# cd mopac2000
# cp /mopac_cd/M2KCD/bin/mopac2000.exe /usr/local/mopac2000
# cp /mopac_cd/M2KCD/bin/hardid.exe /usr/local/mopac2000
# cp /mopac_cd/M2KCD/bin/mosf.exe /usr/local/mopac2000
# chmod 755 mopac2000.exe
# chmod 755 hardid.exe
# chmod 755 mosf.exe

Obtain a license file
# exit
% ./hardid.exe (the program will display a hardware ID of the computer)
Send this hardware ID to the e-mail address specified by your MOPAC 2000 dealer. Save LINMOPAC.license file, which you will obtain by e-mail, into /usr/local/mopac2000

Set environment variables
Set environment variable M2KLIC in your .bashrc to the MOPAC 200 directory.
For example,
M2KLIC=/usr/local/mopac2000
export M2KLIC

Setup a user to run MOPAC and do a test run
% cd ~
% mkdir mopac
% cd mopac
% cp -p /mopac_cd/M2KCD/input/mopac2000/Test001.dat Test001.dat
% cp -p /mopac_cd/M2KCD/output/mopac2000/Test001.out Test001.out.good
% setenv M2KLIC /usr/local/mopac2000
% /usr/local/mopac2000/mopac2000.exe Test001.out
Compare Test001.out with Test001.out.good