MOPAC 7 Installation Instructions for Linux

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September 3, 2010

MOPAC 7 Installation Instructions for Linux

Obtain MOPAC 7
MOPAC 7 is public domain and the source code mopac7.tar.gz can be obtained from the WebMO website.

Verify that the following packages have been installed on the Linux workstation:

gcc (or egcs)
glibc (or libc)
f2c

This can be checked using the following command:
% rpm -qa | grep package

Note that f2c is not installed by default and will likely have to be added. The f2c rpm is found on the Red Hat Linux Powertools Application CD-ROM and can be installed with
% su
# mount /mnt/cdrom
# cd /mnt/cdrom/
# find . -name "f2c*"
# cd {RPM directory}
# rpm -Uhv f2c-19991109-2.i386.rpm
or
# rpm -Uhv f2c-20000510-5.i386.rpm
# cd /
# umount /mnt/cdrom
# exit
f2c is also available for download from the following locations:
Red Hat 6.X: www.webmo.net, www.redhat.com, www.rpmfind.net
Red Hat 7.X: www.webmo.net, www.redhat.com, www.rpmfind.net

Uncompress the MOPAC archive
% su
# cd /usr/local
# cp /download_dir/mopac7.tar.z /usr/local
# tar xzvf mopac7.tar.z
# chown -R root:root mopac7

Compile MOPAC
# cd /usr/local/mopac7/mopac_7_source
# make linux (takes a while)
# exit

Setup a user to run MOPAC and do a test run
% cd ~
% mkdir mopac
% cd mopac
% cp -p /usr/local/mopac7/mopac_7_source/examples/test.dat test.dat
% cp -p /usr/local/mopac7/mopac_7_source/examples/test.out test.out.good
% /usr/local/mopac7/runmopac test (opens the output file in vi)

<Ctrl>-f and <Ctrl>-b to scroll; <Esc>:q! to quit

MOPAC documentation
The MOPAC documentation is available in the mopac7/mopac_7_source/manual directory in a variety of formats. The manual was originally distributed in Tex format (mopac.tex) but it has also be translated into a variety of alternative formats. The Tex file has been processed to a DVI file (mopac.dvi). The manual has also been translated to postscript (mopac.ps) that can be viewed using Ghostview/Ghostscript or printed to a postscript printer. Finally, the manual is available in text format (mopac.txt) with much of the formatting, mathematical expressions, tables, etc., nonexistent or messed up.