Installation and Platform Notes

Licenses

To run LEXICHEM you will need to obtain a license file for LEXICHEM from OpenEye Scientific Software (business@eyesopen.com). The license file should be in a file pointed to by the OE_LICENSE environment variable.

General Installation

General Installation

By default, all OpenEye applications are installed into a single distribution directory tree on the specified machine. The default location for this tree is platform specific and will be detailed below.

The root of the tree (i.e. the openeye directory) contains the following subdirectories:

admin:This directory is intended to contain any administrative scripts and tools associated with the installed applications. Currently, this directory is simply a placeholder on all platforms except for Microsoft Windows, where it contains the uninstaller executables.
arch:This directory contains the collection of platform specific subdirectories. Each subdirectory contains the actual installed executables and support libraries for the associated platform. In the platform specific subdirectory there will be a subdirectory for each application. Within that will be another subdirectory for each version of that application.
bin:This directory contains a startup script for each application that has been installed. This script determines, at run-time, what the current platform is and then calls the appropriate executable in the arch. This script enables the easy co-existence of multiple platforms and versions of any OpenEye application in the same distribution tree.
data:This directory contains all of the associated data for the installed applications. There will be a subdirectory for each installed application and within that subdirectory there will be another subdirectory for each specific version of that application.
docs:This directory contains all of the documentation associated with the installed applications. There will be a subdirectory for each installed application and within that subdirectory there will be another subdirectory for each specific version of that application.
examples:This directory contains all of the examples associated with the installed applications. There will be a subdirectory for each installed application and within that subdirectory there will be another subdirectory for each specific version of that application.

The startup script discussed in the section on the bin directory above will have the same name as the installed executable with which it is associated. When the script is called, it will attempt to determine the current platform and run the appropriate executable if installed. If an appropriate executable cannot be found, the script will report that information, as well as a list of the currently installed platforms. The auto-detection can be overridden by setting one of two environment variables:

  • OE_ARCH can be used to specify a colon separated list of compatible distributions for the current platform such as:

    redhat-RHEL5-x64:redhat-RHEL4-x64

    Specification of this environment variable overrides the auto-detection process, if it is present. If none of the compatible distributions listed are found, the script will fall back to the auto-detection process.

  • APPNAME_OE_ARCH can be used to specify a colon separated list of compatible distributions for a specific application (as specified by changing the APPNAME text in the environment variable name) just like OE_ARCH as detailed above.

    Specification of this environment variable overrides the OE_ARCH environment variable as well as the auto-detection process. If none of the compatible distributions listed are found, the script will fall back to the OE_ARCH list first and then to the auto-detection process.

    Specifying this variable provides a simple way to customize the behavior for individual applications on non-standard platforms.

The startup script also supports a few commandline arguments including:

-path Specifying this argument will output the full path of the executable to be run. The executable will not be started if this argument is present.
-print_arch Specifying this argument will output the details of the current platform as detected by the script as well as which platform-version of the executable is being run. The executable will be started if this argument is present.
-use_version Specifying this argument followed by a specific version number allows the user to control which released version of the executable to run.

Linux/Unix

Linux/Unix distributions are provided as a gzipped tarball of the distribution tree described above. Installation is performed by untarring the file in the desired location. Multiple distributions can be installed in the same location without any challenge.

To ensure that the installed applications can be called from the command line, be sure to add the full path of the openeye/bin subdirectory to the PATH environment variable. For instance, if the distribution was installed into /usr/local/openeye, the PATH environment variable should contain: /usr/local/openeye/bin.

Windows

Windows distributions are provided as a standard EXE installer. By default, all OpenEye applications will install into the C:\OpenEye directory.

An OpenEye group with an application specific subgroup will be added to the Start menu. The application specific subgroup will contain links to the documentation, the uninstaller, as well as to a Windows command shell which has the appropriate PATH settings already defined to allow the user to simply type the executable name at the prompt without concern for where the executable is actually installed.

For GUI applications, a link to the application will be created on the desktop as well as in the application specific subgroup of the Start menu.

Mac OS X

Mac OS X distributions are provided as a standard pkg installer delivered as a dmg disk image. By default, all OpenEye applications will install into the /Applications/OpenEye directory.

To ensure that the installed applications can be called from the command line in the Terminal, be sure to add /Applications/OpenEye/bin to the PATH environment variable.

For GUI applications, an application bundle which can be clicked on to start, will be present in the /Applications/OpenEye directory. This bundle cannot be moved independent of the OpenEye directory. For instance, the entire OpenEye directory can be moved as one piece, but moving the application bundle or the contents of any of the subdirectories in the OpenEye directory may cause the application to not start. However, the bundle can still be dragged into the Dock and run from there without any problem.

Uninstallation

Linux/Unix

To uninstall a single distribution of a product the relevant subdirectories for that product and version simply need to be deleted from within the following directories:

arch:In the openeye/arch directory is a platform specific subdirectory. Within this are directories for each installed product and within those are subdirectories for each version of the product. Delete the subdirectory for the version which is to be uninstalled. For example, to delete or uninstall v1.0.0 of a product, delete the folder “<product_name>/1.0.0”.
data:In the openeye/data directory is a subdirectory for each installed product and within those are subdirectories for each version of the product. Delete the subdirectory for the version which is to be uninstalled.
docs:In the openeye/docs directory is a subdirectory for each installed product and within those are subdirectories for each version of the product. Delete the subdirectory for the version which is to be uninstalled.
examples:In the openeye/examples directory is a subdirectory for each installed product and within those are subdirectories for each version of the product. Delete the subdirectory for the version which is to be uninstalled.

Windows

Installation of an OpenEye product on Windows causes an OpenEye group with an application specific subgroup to be added to the Start menu. One of the items in the application specific subgroup is a link to the uninstaller. Clicking on the uninstaller initiates a wizard which guides the user through uninstallation.

For GUI applications, uninstallation also removes the desktop link to the application as well as in the application specific subgroup of the Start menu.

Mac OS X

To uninstall a single distribution of a GUI application simply drag the application from /Applications/OpenEye/bin to the Trash can.

To uninstall a single distribution of a command line application you will need to delete the executable/folder from /Applications/OpenEye/arch/osx-10.6-x64/. For example, to delete or uninstall v1.0.0 of a product, delete the folder “1.0.0” located in /Applications/OpenEye/arch/osx-10.6-x64/<product_name>.

Associated documentation, data and example files for a single distribution can be uninstalled by deleting the subdirectory/folder from within the /Applications/OpenEye/data, /Applications/OpenEye/docs and /Applications/OpenEye/examples directories.

Table Of Contents

Previous topic

Introduction

Next topic

nam2mol