ADF Program System
Release 2007.01
Scientific Computing & Modelling NV
Vrije Universiteit, Theoretical Chemistry
De Boelelaan 1083; 1081 HV Amsterdam; The Netherlands
E-mail: support@scm.com
Copyright © 1993-2008: SCM / Vrije Universiteit, Theoretical Chemistry, Amsterdam, The Netherlands
All rights reserved
See the instructions for downloading ADF on our download page.
To install ADFLaunch on Mac OS X, simply double click on the disk image, and drag the enclosed ADF2007.01 directory somewhere on your hard disk, such as the Applications directory.
To use ADF, you need to install an ADF license file. In case of a trial version, a trial demo license file is attached to the mail in which you receive the necessary information to download our software. In other cases start ADFLaunch and follow the instructions in order to compose an email to SCM requesting a license. You can obtain a license by emailing SCM (license@scm.com). Place a copy of a valid ADF license in the ADF2007.01 directory that you installed above, and name it license.
ADFLaunch requires X11 to be installed. You can install X11 using a Mac OS X install disk, or download it from Apple (http://www.apple.com/downloads/macosx/apple/x11formacosx.html)
Start ADFLaunch and follow the instructions in order to compose an email to SCM requesting a (demo) license. You can obtain a license by emailing SCM (license@scm.com). Note that in case of a trial version, a trial demo license file is already attached to the mail in which you receive the necessary information to download our software. After receiving your license file, copy it to the ADF2007.01 directory and name it license.
For our standard licenses all CPU's and cores in a machine are counted. For example, a single-CPU license is not a valid license for a dual-core or dual-CPU machine.
The ADF2007.01 directory contains a copy of ADF (in the directory adfhome), and the ADFLaunch application. The ADFLaunch application assumes that ADF and a valid ADF license are installed in the same directory as the application itself. Apart from installing X11 and an ADF license file, most users will not need to take any further action to make use of ADFLaunch.
Advanced users may prefer that ADFLaunch make use of a different copy of ADF than the one included. For version ADF2006.01 and later, to use a different version of ADF, simply set the path to a different copy in the Preferences of ADFLaunch. For previous versions (ADF2005.01 and before) use the 'ADF GUI' application of that version, and check the corresponding Installation manual for more details.
To use one of the ADFLaunch modules, you can simply start up the application by double clicking. A 'Modules Selection Panel' will appear, which you can use to select the module you wish to start. This will start up the module without any data file.
To open a data file with ADFLaunch you have a number of choices. If the file has an appropriate ADF extension (e.g. t21), you can simply double click on it in 'Finder', and it should open in 'ADFLaunch'. Some file types can only be opened by a single ADFLaunch module, and for these files the appropriate module will be launched. Other file types can be opened in more than one ADFLaunch module, and in such cases, you will be prompted to choose the module you wish to use to open the data file.
You can also open ADF data files from within the ADFLaunch application, by selecting 'Open...' from the 'File' menu. If ADFLaunch cannot assign a unique module to the file, it will prompt you to choose one to use for opening the file.
Every good Mac application supports drag-and-drop, and ADFLaunch is no exception. Drag one or more data files onto the ADFLaunch icon, either in 'Finder' or the 'Dock', and they will be opened. You can also use the 'Dock' menu of ADFLaunch to start ADFLaunch modules.
ADFLaunch sets all necessary environment variables automatically. If you may want to change or add environment variables you can do this in the Preferences of ADFLaunch. It is easy to change one of the following environment variables:
but you can also add any other environment variable.
To run ADF from the command line, you need to set the usual environment variables. See the generic Installation Guide for more information.
The ADFHOME environment variable will need to be set to the adf directory in the ADF directory that you installed above. The SCMLICENSE environment variable will need to be set to the file called license, which you installed in the ADF directory.
Assuming you installed the ADF directory in Applications, here are some shell commands that you could issue to setup the ADF environment in a Bourne-shell like bash. These commands would typically be added to the .profile file in your home directory.
export ADFHOME=/Applications/adf2007.01/adfhome export ADFBIN=$ADFHOME/bin export ADFRESOURCES=$ADFHOME/atomicdata export SCMLICENSE=/Applications/adf2007.01/license export SCM_TMPDIR=/var/tmp