This chapter is a description of the manual installation procedure for experienced UNIX system administrators who prefer to edit start-up files directly rather than rely on installation scripts.
The manual installation of QUANTA follows this sequence of events:
1. Create the accelrys user account
2. Create the directory ~accelrys/product_name
3. Log in as the user accelrys
4. Load the release medium into the installation directory
5. Configure certain site-specific files
6. Modify the hosts.equiv file.
7. Extract a license file, if available
8. Install and enable the license manager
The following sections describe each step in the manual installation procedure.
accelrys:*:800:
accelrys::800:800:Accelrys Products Owner:/home/accelrys:/bin/csh
In order to maintain a reasonable level of organization on your system, we recommend that you install all Accelrys products into the home directory of a user named accelrys. This account will only be used to hold and install products, and not for day-to-day use of a product.
If you prefer to use a name other than accelrys for this holding account, you will not have any problems. Simply substitute your account name for accelrys when reading this book.
As is true with all user accounts, it is best to put the accelrys home directory on a file system that will not be overwritten during operating system upgrades (that is, not directly on /usr).
Place the accelrys home directory on a file system with sufficient space to hold all your Accelrys products. Of course, if you run out of room on the file system that contains the accelrys home directory, you can always load a new product on another file system, and use a symbolic link to make it appear as though that product is loaded in ~accelrys.
The accelrys user must exist on all machines from which you plan to run the program. If you're not using Network Information Services (formerly known as Yellow Pages), you must create an accelrys account on each machine that will host an accelrys product.
The accelrys account must have a password to use any of the installation scripts.
Using a separate directory for each product release enables you to install other Accelrys products, including future releases of this product, without disturbing the present release.
If your site supports different platforms, you should create a directory for each platform version of the software you wish to install. (See Hardware and operating system requirements).
This ensures that the files loaded from the media are owned by accelrys.
If you are installing from CD-ROM, turn to Load the distribution medium.
Make a backup copy of each, then make the required edits.
You must modify all site-specific files after the QUANTA media is loaded. The following is an example of the modifications needed for this script:
~accelrys/quanta2006/.setquanta
Search for the string %AccelrysInstallRoot% and substitute the fully qualified absolute path name of the installation directory. For example, if the home directory of the accelrys account is /home/accelrys, the lines of the script .setquanta that specify QNT_ROOT should be changed to read as follows:
setenv QNT_ROOT /home/accelrys/quanta2006
Similarly, search for the string %AccelrysLicense_Pack_Dir% and replace it with the fully qualified path name of the installation directory.
Accelrys provides a script to automate updating this file. Change to the ~accelrys/quanta2006/install directory and run the script config_files:
> ./config_files
Other site-specific files are supposed to be edited similarly. For the list of files to configure, see the contents of the file product.config in the install directory. If you have additional questions, contact Accelrys Scientific Support.
In order to start remote applications, the program needs to be able to execute a remote shell (rsh) on the machine where the remote application will run. This is done even if the application is going to run only on the local machine.
In order for this to work, the /etc/hosts.equiv file must contain two entries: one for localhost, and one for the name of the remote system.
If you are running NIS, and you either:
Then you must modify either the netgroup file, or the hosts.equiv file so that both localhost and the name of the system are recognized as trusted hosts. This will allow remote shells to be initiated without a password.
If you are not managing your hosts.equiv file through NIS, then you need to modify the product host's /etc/hosts.equiv file. You can do this manually, or you can use the update_hosts_equiv script in the install directory, as follows:
> ./update_hosts_equiv -u
If not, use the get_license script to extract a valid license file, if available. If no license is found, contact Accelrys Scientific Support to request that a license be sent via e-mail.
> cd ~accelrys/quanta2006/install
> get_license
A license file is the input to the license management software used by Accelrys products. The format is too complex to edit by hand. An error in this file may cause the product to fail its license management check at run time.
For this reason it is highly recommended that you use an e-mailed copy of your license file, or use the get_license script to extract one from the media. If you must enter a license by hand (e.g., you do not have e-mail and were faxed a license) extreme care must be taken to enter the data exactly.
If your license file is delivered by Internet e-mail, save the e-mail message as a file. Be sure to remove all e-mail header and trailer information from the file. The first line of your accelryslicense.dat file should begin:
The last line of your file should begin:
Make sure no extra carriage returns or spaces were added during transmission. All lines should begin with #, INCREMENT, SERVER, or DAEMON. If the character ^M appears at the end of the lines, you can use the following command to remove them:
Use caution when editing your license file, as discussed in detail in the separate Accelrys License Guide.
The license_verifier program tells you if there are any lines with problems. You are instructed to run this when you test the installation. For more complete details on license installation refer to the Accelrys License Guide.
Accelrys provides the script lmup -b to automate these steps. This script creates the necessary links to the /etc directory, edits the startup files, then starts the license management daemons. Root access is required to run this script with the -b option; you are prompted for the root password at the appropriate time.
To use the script, type these commands while logged into the host that will act as license server:
> lmup -b
If you used the lmup -b command, your installation is now complete. For final instructions, turn to Verify the license installation.
Use the following instructions if you prefer to perform these steps without running the supplied script.
Installing and enabling the license manager involves linking certain files from the License_Pack directory to the /etc directory. If you prefer to use a directory other than /etc, please refer to the separate Accelrys License Guide.
The following steps should be performed while logged in to your license server.
If your license type is node-locked (for a single workstation), your QUANTA host does not require license daemon support. Make sure your license is in the ~accelrys/License_Pack/licenses or the $Accelrys_LIC_PACK_DIR/licenses directory and named accelryslicense.dat. You can then skip to the next section, Verify the license installation.
If your license type is float or token, your QUANTA host and your license server may be different computers. If so, be sure to copy the license files and edit the start-up scripts while logged in to the host on the SERVER line of your license. Make sure the path on the DAEMON line is ~accelrys/License_Pack/<platform>/exe/accelrysd
For all supported host architectures using float or token licenses, the following files must be linked to the /etc directory of your license server:
> ln -sf ~accelrys/License_Pack/<platform>/exe/lmgrd \
/etc/lmgrd> ln -sf ~accelrys/License_Pack/licenses/accelrysli- cense.dat \
/etc/accelryslicense.dat> ln -sf \
~accelrys/License_Pack/logs/accelryslicense_ <port>.log \
/etc/accelryslicense_<port>.log
The next steps vary for each host architecture:
For Silicon Graphics workstations, use these commands:
> sed -e "s@%LOCKAccelrys%@lockaccelrys_<license 970@g; \
s@%LICENSE%@accelryslicense.dat@g; \
s@%LOGFILE%@accelryslicense_<port>.log@g; \
s@%NON_ROOT_USER%@<accelrys or other user name>@g" \
~accelrys/License_Pack/bin/accelrys_lmbo> cp /tmp/accelrys_lmboot /etc/init.d/accelrys_lmboot
> ln -sf /etc/init.d/accelrys_lmboot \
/etc/rc2.d/S99accelrys_lmboot> ln -sf /etc/init.d/accelrys_lmboot \
/etc/rc0.d/K10accelrys_lmboot
Remove old start-up files manually or by running:
> ~accelrys/License_Pack/bin/rm_old_accelryslm sgi
Once the above files have been copied and edited, you can start the license manager daemon with these commands:
> /etc/lmgrd -c /etc/accelryslicense.dat \
>>/etc/accelryslicense_<port>.log
Again, instead of performing all steps manually, we highly recommend that you run lmup -b as described in Install and enable the license manager (floating/token licenses only).
Once the product files are installed, and the license manager daemon is running, you can verify the license installation by performing the following commands:
> source ~accelrys/License_Pack/accelrys_lic_cshrc> lmup
> license_verifier
> lmstat -a
(if using a token or floating license)
To test the installation and set up and configure user accounts, turn now to After Installation. For more complete license management information refer to the separate Accelrys License Guide.