Installing SBGrid Software
Using the SBGrid Environment
Support for Site Administrators
Hardware Support Notes
Support for Developers
Most of the software titles installed in the SBGrid software collection have several versions available. We try to provide at least three versions of each software package, although very old or very new applications may have more or fewer versions respectively.
To list the available versions of a software title, you can use the sbgrid-info utility. Running sbgrid-info -l will list the versions for your current platform. From a Linux machine, a search for PyMOL versions looks like this:
$ sbgrid-info -l pymol Version information for: /programs/x86_64-linux/pymol Default version: 2.4.1_198 In-use version: 2.4.1_198 Installed versions: 2.4.1_198 2.2.3 184.108.40.206 220.127.116.11 Other available versions: 2.2.3 18.104.22.168 22.214.171.124 Overrides use this shell variable: PYMOL_X
Running sbgrid-info -L will print the available versions for both of the current platforms (macOS and x86_64 Linux).
$ sbgrid-info -L gnuplot Version information for: /programs/x86_64-linux/gnuplot Default version: 4.6.4 In-use version: 4.6.4 Other available versions: 4.6.0 4.4.3 4.2.6 Overrides use this shell variable: GNUPLOT_X Version information for: /programs/i386-mac/gnuplot Default version: 4.6.4 Other available versions: 4.4.3 4.2.6 4.6.0 Overrides use this shell variable: GNUPLOT_M
To override the default version of a software title, you need to create an override file. The shell configuration scripts will read this file and override the default version.
The override file is named .sbgrid.conf and should be placed in your $HOME directory. The syntax for overrides is a simple key=value pair. E.g. it should look like this:
<APPLICATION>_X is the name of the application followed by an underscore and the shorthand initial for the architecture. All SBGrid application variables are capitalized. The last field on the line is the software version number you want to use. The initials for each software branch are:
|Software Directory||Shorthand Initial|
To quickly open the overrides file in your default $EDITOR, you can run sbgrid-overrides -e.
When you open a new shell, you will see a message about the overridden version. Note that a site administrator can create sitewide or machine-specific overrides as well.
The example output below shows PyMOL on linux being changed from the default version on macOS:
Configuration options in effect for this shell: Variable Setting Configuration PYMOL_M 2.2.3 personal
To disable a specific software package, set its version to "disable" in your ~/.sbgrid.conf file.