
Installation instructions for CentOS-5

If you have an Academic license, and it has expired, then:

1. Download a new executable from: http://openmopac.net/Download_MOPAC_Executable_Step2.html

2. Replace the old executable with the new one.

If you are a first-time user of MOPAC2016, then:


1. Create a directory called "/opt/mopac/"  You might need to use a command such as:

    sudo mkdir -p /opt/mopac
 
    Give this directory the privileges "rwxrwxrwx", 
    i.e. run the command: "chmod 777 mopac"  You will need superuser 
    privileges to do this.  If you can't use /opt/mopac, then set
    define the location of the license key as shown below.

2. Download the CentOS-5 MOPAC2016 executable, and put it in the directory  
    "/opt/mopac/"  

3. Add the following line to your .bashrc start-up script: "alias 
    mopac='/opt/mopac/MOPAC2016.exe
'" 

4. Run the start-up script, that is, run the command: "source .bashrc"  This 
    will activate the alias. 

5. A password will be sent to the E-mail address you provided on the previous 
    page.  It should arrive within 48 hours.  If it does not arrive then, please 
    contact: MrMOPAC@OpenMOPAC.net. 

6. Create a directory that will be used for running MOPAC jobs. 

7. Do one of the following two operations:
       EITHER:
    At the command level, run the command: mopac <password>
        OR
    At the file manager window, create a data set with the same name as the   
    password.  That is, if the password is 12345678a12345678 then create a 
    file with that name.  Open that file with MOPAC2016.

    If you get the message "/opt/mopac/MOPAC2016.exe: Permission denied" then
    change the permissions on MOPAC2016.exe by running "chmod +x /opt/mopac/MOPAC2016.exe"

    The first time MOPAC is run, it will read the password and run a question-  
    and-answer dialogue.  When that is completed, the password is installed. 



    Check that MOPAC will run the job Example_data_set.mop.  This job should take
    about 0.05 seconds to run.  After the job runs successfully, as a safety precaution, 
    change permissions on the MOPAC folder to prevent writing to it.  This is a security 
    step intended to stop any accidental or deliberate attempts to mess with the contents 
    of the MOPAC folder.



8. Run MOPAC using data sets that have the names <file>.mop, <file>.dat, or 
    <file>.arc.  E.g. run the command "mopac test" to run the data set 
    "test.mop", or "mopac test.arc" to run the data set "test.arc"

9. You are now ready to run MOPAC2016.  If you are new to mopac, please see: 

http://openmopac.net/manual/running_mopac.html


               Setting the Location of the License Key


By default, the MOPAC executable should be put in the subdirectory /opt/mopac.  
If necessary, the executable can be put somewhere else.  If that is done, then 
the location of the folder that contains the MOPAC2016 license key must be defined 
using the environmental variable MOPAC_LICENSE.  

If MOPAC_LICENSE is not defined, then MOPAC behaves as if 
it was defined as "/opt/mopac/"  (Note that the terminal slash is necessary for 
the environmental variable to work.) 


 Edit .bashrc to add the line: MOPAC_LICENSE=/home/mydirectory/

A re-boot might be necessary in order for the environmental variable to be recognized.


Problems?  Please see: http://openmopac.net/Discussions/Problems%20installing%20MOPAC.html


