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WebMO - Computational chemistry on the WWW
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October 26, 2014
WebMO Installation Instructions for Unix

These instructions are to be used for installing a copy of WebMO for the first time. To upgrade an existing WebMO configuration, refer to the WebMO upgrade instructions instead.

  1. Obtain a WebMO license
  2. Download WebMO
  3. Configure Apache webserver for WebMO
  4. Upload the WebMO archive to your unix (Linux, IRIX, AIX, Solaris, etc.) web server (do not uncompress the archive on your PC before uploading!)
  5. Login to your web server account, uncompress, and untar the WebMO archive
        $ tar xzf WebMO.9.x.xxx.tar.gz
    or if your version of tar does not support the z option
        $ gunzip WebMO.9.x.xxx.tar.gz
        $ tar xf WebMO.9.x.xxx.tar
  6. Run the setup script
        $ cd WebMO.install
        $ perl setup.pl
  7. Follow the directions that are given in the setup script
    • Enter WebMO license number when prompted
    • Select the appropriate Perl binary (/usr/bin/perl)
    • Verify the webserver's name
    • Select HTML directory (/home/smith/public_html/webmo)and URL (/~smith/webmo)
    • Select CGI directory (/home/smith/public_html/cgi-bin/webm) and URL (/~smith/cgi-bin/webmo)
    • Select directory for user files (/home/smith/webmo)
    After the distribution files are copied, the command line portion of WebMO setup is complete
  8. Follow the URL given at the end of setup process and continue with the on-line WebMO configuration
    • Login as user 'admin' with an empty password
    • Reset the admin password when prompted
    • Register your copy of WebMO when prompted
    • If the registration process fails (e.g., due to no internet connectivity), login again from the URL at the end of the setup process as user 'admin' with the new password
    • Click 'System Manager' and confirm that locations of various system utilities have been correctly set (this should have already been completed automatically) and that the scratch location is appropriate
    • Click 'Return to Admin' to return to the WebMO Administration page
    • Click 'Interface Manager' and enable the interfaces to any computational chemistry packages that you have installed on your system. Click the 'Enable interface' icon to enable an interface that is currently disabled.
    • Click the 'Edit interface' icon and make any neccessary changes in the interface configuration. Click 'Submit' to commit the changes and then click 'Return' to return to the WebMO Interface Manager page
    • Click 'Return to Admin' to return to the WebMO Administration page
    • Click on the 'User Manager' and then the 'New User' button to create WebMO users. Create at least one user
    • Click 'Return to User Manager' to return to the WebMO User Manager page
    • Click 'Return to Admin' to return to the WebMO administration page
    • Setup is complete. Click the 'Logout' button to logout of the WebMO administration page
  9. Login as the WebMO user that you created. In the job manager, click 'Create New' to run a test job
  10. If you have not yet installed any computational chemistry programs on your unix computer, see the separate support pages for installing binary or source versions of Gaussian, MOPAC, and GAMESS. Then enable, configure, and test these packages as described above.
  11. Questions or feedback?
    Please visit the WebMO Support Forum or send email to support@webmo.net.

Uninstallation

To fully uninstall WebMO for Unix, simply delete the following directories (assuming the default installation locations):

  • htmlBase: /home/smith/public_html/webmo
  • cgiBase: /home/smith/public_html/cgi-bin/webmo
  • userBase: /home/smith/webmo

Troubleshooting

If you experience any problems, please refer to the WebMO troubleshooting page.

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