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Installing GaussView on Macs

GaussViewM at Brown University can only be installed on Brown-owned G4 or G5 computers. Other physical specifications are listed on the Gaussian web site.

The version of GaussViewM licensed at Brown allows the user to do computer visualization of molecules and to set up the parameters for calculations. Our version on the Macs is not capable of completing the calculations. The .com files must be transferred to a linux computer on which Gaussian has been installed. In the Chemistry Department, our cluster, ted, has Gaussian.

Email Margaret Doll for the cds to install GaussViewM on a Brown-owned Mac or Gaussian on a Brown-owned linux computer. Margaret Doll is also the contact in Chemistry for getting an account on ted.

The user of GaussViewM or Gaussian agree to acknowledge the use of the software in any papers resulting from work with the software. View the Citation Requirements.

There are two cds that you will use for the installation of GaussView on the Mac; ie. Gaussian 03M Utilities and GaussView M. Gaussian 03M Utilities must be installed first.

If you are not familiar with the unix side of a Mac, follow the following instructions carefully.

  1. Create a new folder in the Applications folder and change the name to Gauss3E.01.

  2. Be sure that you have Stuffit installed on your computer. It should be in the Applications folder. Follow the links from httpd://software.brown.edu/dist/sw-mac.html if Stuffit is not installed.

  3. Insert Gaussian 03M Utilities in your system. Double click on the CDROM icon. The contents of the cd should be

  4. Double click on the tar folder and then on the MAC-103U.taz file.
  5. An error message will appear saying that you cannot expand the tar file on the mounted cd.

    Click on the OK.
    The Stuffit program will then bring up a window in which you will indicate where the files will be expanded. Go to the Applications folder and double click on Gauss3E.01 folder.

    After the tar file has been expanded, you will see a g03 folder inside the Gauss3E.01 folder you created earlier.

    You may eject the cd.

  6. Insert GaussView M cd in your system. Double click on the CDROM icon. The contents of the cd should be

  7. Double click on the tar folder and then on the gv-412-macosx.taz file.
  8. An error message will appear as before saying that you cannot expand the tar file on the mounted cd. Click on the OK.

    Again through the Stuffit window, go to the Applications folder and double click on Gauss3E.01 folder.

    After the tar file has been expanded, you will see a gv folder has been added inside the Gauss3E.01 folder.

    You may eject the cd.

  9. To allow all the users on the system to use GaussViewM, you will have to change protections on the Gaussian directories.
  10. cd /Applications
    sudo chmod -R o+rx Gauss3E.01
    sudo ls -al Gauss3E.01

    The last command should show drwxr-xr-x for the Gauss3E.01 directory.

The software is now installed. The desktop executable, gview.app for GaussView M will be located in /Applications/Gauss3E.01/gv.

Please return the GaussView M cds and folder to Margaret Doll, GeoChem 166.

Setting up the Variable Definitions in Your login File on Your Mac

The system administrator for the Mac should now set up variable definitions for each user on the system that will be using GaussView M.

In older versions of Mac OS X you could use TextEdit to save as a text file. You will not be able to do this on Mac 10.5. Use TextEdit which is in the Application folder on older Mac OS 10 versions, and vi on the newer Macs to create .login. You can also download login into your home directory and rename it to .login.

    Using TextEdit and assuming that GaussView M was installed in /Applications/Gauss3E.01, do the following:

  1. Type in the following lines:
  2. setenv g03root /Applications/Gauss3E.01
    source $g03root/g03/bsd/g03.login
    setenv GAUSS_SCRDIR /tmp

    where g03 is a "g" followed by a zero and a three.

  3. Save the file in your home directory as .login
  4. Note that you do not want to add an extension onto the name of the file. Leave the line at the bottom of the window, namely If no extension is provided, use ".txt"., unchecked.

  5. An error message will appear warning you that files beginning with "." are hidden files.
  6. Click on Use ".". Then close the file.

Make a soft link from .login to my_login in your home directory.

  1. Open a terminal window. Terminal is a program in Utilities folder. When you open the terminal window, you will be in your home directory.

  2. Make the soft link by typing
  3. ln -s .login my_login

    at the terminal prompt.

Your account is now set up to run GaussView M. Read for directions on running GaussView M for Mac Users.

If you wish to set up the other users on your system to run GaussView M, you must be an administrator on the system.

From your home directory in a terminal window, assuming that you have created the .login for GaussView M in your home directory, type the following

  1. sudo cp .login ../user#2
  2. sudo ln -s ../user#2/.login ../user#2/my_login

where "user#2" is a legitimate user on the system.


Margaret Doll 11-28-07