Quantum Chemistry Toolbox 2021 Installation and Licensing Guide

Copyright © 2021 Maplesoft, a division of Waterloo Maple Inc.

Quantum Chemistry Toolbox 2021 Installation and Licensing Guide
Quantum Chemistry Toolbox 2021 Installation Using a Single User License
Activating Single User Versions
Quantum Chemistry Toolbox 2021 Installation Using a Network License
Configure the License Manager
Named Network Licensing
Getting Started With Quantum Chemistry Toolbox 2021
System Requirements
Trademarks

Quantum Chemistry Toolbox 2021 Installation and Licensing Guide

Quantum Chemistry Toolbox 2021 Installation Using a Single User License

64-bit Windows Single User Installation
Macintosh Single User Installation
64-bit Linux Single User Installation

64-bit Windows Single User Installation

For Windows® installation instructions, read this section.

During the installation, you will need your purchase code, generally sent to you in an email.

To install Quantum Chemistry Toolbox 2021 on your Windows operating system, read and complete the following tasks.

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Help menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Double-click QCToolbox2021WindowsX64Installer.exe from where you downloaded the file.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and double-click QCToolbox2021WindowsX64Installer.exe from the install disc.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

C:\Program Files\Maple 2021\toolbox\Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Single User License .
  1. When prompted, enter the purchase code and the required information to complete activation.
  1. If you activated successfully, you are ready to use Quantum Chemistry Toolbox 2021. If you had problems activating or chose not to activate during the installation, see Activating Single User Versions.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Macintosh Single User Installation

For Macintosh® installation instructions, read this section.

During the installation, you will need your purchase code, generally sent to you in an email.

To install Quantum Chemistry Toolbox 2021 on your Macintosh operating system, read and complete the following tasks:

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Maple 2021 menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Double-click QCToolbox2021MacInstaller.dmg from where you downloaded the file, then double-click QCToolbox2021MacInstaller.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and double-click QCToolbox2021MacInstaller.dmg from the install disc, then double-click QCToolbox2021MacInstaller.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

/Library/Frameworks/Maple.framework/Versions/2021/toolbox/Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Single User License .
  1. When prompted, enter the purchase code and the required information to complete activation.
  1. If you activated successfully, you are ready to use Quantum Chemistry Toolbox 2021. If you had problems activating or chose not to activate during the installation, see Activating Single User Versions.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

64-bit Linux Single User Installation

During the installation, you will need your purchase code, generally sent to you in an email.

To install Quantum Chemistry Toolbox 2021 on your 64-bit Linux® operating system, read and complete the following tasks.

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Help menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Run QCToolbox2021LinuxX64Installer.run from where you downloaded the file.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and run QCToolbox2021LinuxX64Installer.run from the install disc.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

$HOME/maple2021/toolbox/Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Single User License .
  1. When prompted, enter the purchase code and the required information to complete activation.
  1. If you activated successfully, you are ready to use Quantum Chemistry Toolbox 2021. If you had problems activating or chose not to activate during the installation, see Activating Single User Versions.

Shortcuts for Desktop and Applications menus

During installation, a maple2021.desktop file is created in the bin directory of your Quantum Chemistry Toolbox 2021 installation. If you request the installer to have a shortcut placed on your desktop, this file is also created in the ~/Desktop directory. If you wish to have a shortcut placed in your Applications menu, the maple2021.desktop file can be copied to /usr/share/applications (which may require root access) or ~/.local/share/applications.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Activating Single User Versions

Windows Single User Activation
Macintosh Single User Activation
Linux Single User Activation

Windows Single User Activation

  1. Activation requires an Internet connection. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. Change directory to the location of your Quantum Chemistry Toolbox installation. The default locations are:
  • Personal copy:

C:\Users\%USERNAME%\maple\toolbox\2021\Quantum Chemistry

  • Single machine multi-user copy:

C:\Program Files\Maple 2021\toolbox\Quantum Chemistry

  1. Go to the license folder, right-click activation.exe, and then select Run as administrator.
  1. You will be prompted to enter your purchase code. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  1. You will be prompted to enter additional information. Click Next when this is complete.

A license file (Quantum Chemistry.dat) will be saved in the license folder of your Quantum Chemistry Toolbox 2021 installation. If you experience difficulties with activation, check our FAQs page at http://www.maplesoft.com/support/Faqs/Activation.

Macintosh Single User Activation

  1. Activation requires an Internet connection. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. Change directory to the location of your Quantum Chemistry Toolbox installation. The default locations are:
  • Personal copy:

/Users/$USERNAME/maple/toolbox/2021/Quantum Chemistry

  • Single machine multi-user copy:

/Library/Frameworks/Maple.framework/Versions/2021/toolbox/Quantum Chemistry

  1. Run the activation script located in the license folder of your installation.
  1. You will be prompted to enter your purchase code. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  1. You will be prompted to enter additional information. Click Next when this is complete.

A license file (Quantum Chemistry.dat) will be saved in the license folder of your Quantum Chemistry Toolbox 2021 installation. If you experience difficulties with activation, check our FAQs page at http://www.maplesoft.com/support/Faqs/Activation.

Linux Single User Activation

  1. Activation requires an Internet connection. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. Change directory to the location of your Quantum Chemistry Toolbox installation. The default locations are:
  • Personal copy:

$HOME/maple/toolbox/2021/Quantum Chemistry

  • Single machine multi-user copy:

$HOME/maple2021/toolbox/Quantum Chemistry

  1. Run the activation script located in the license directory of your installation.
  1. You will be prompted to enter your purchase code. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  1. You will be prompted to enter additional information. Click Next when this is complete.

A license file (Quantum Chemistry.dat) will be saved in the license folder of your Quantum Chemistry Toolbox 2021 installation. If you experience difficulties with activation, check our FAQs page at http://www.maplesoft.com/support/Faqs/Activation.

Quantum Chemistry Toolbox 2021 Installation Using a Network License

64-bit Windows Installation Using a Network License
Macintosh Installation Using a Network License
64-bit Linux Installation Using a Network License

64-bit Windows Installation Using a Network License

For Windows installation instructions, read this section.

To install Quantum Chemistry Toolbox 2021 on your Windows operating system using a network license, read and complete the following tasks.

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Help menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Double-click QCToolbox2021WindowsX64Installer.exe from where you downloaded the file.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and double-click QCToolbox2021WindowsX64Installer.exe from the install disc.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

C:\Program Files\Maple 2021\toolbox\Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Network License .
  1. Do one of the following, depending on whether you have a single or redundant license server setup.
  • If you have a single license server setup:
  1. Select Single Server, and then click Next.
  1. Enter the name or IP address of the license server in License server.
  1. Enter the port number of the license server in Port number.
  1. Click Next.
  • If you have a redundant license server setup:
  1. Select Redundant Server, and then click Next.
  1. Enter the names or IP addresses of the license servers in License server 1, License server 2, and License server 3.
  1. Enter the port numbers of the license servers in Port number 1, Port number 2, and Port number 3.
  1. Click Next.
  1. Quantum Chemistry Toolbox 2021 is now installed. Prior to using Quantum Chemistry Toolbox 2021, you need to Configure the License Manager.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Macintosh Installation Using a Network License

For Macintosh® installation instructions, read this section.

To install Quantum Chemistry Toolbox 2021 on your Macintosh operating system, read and complete the following tasks:

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Maple 2021 menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Double-click QCToolbox2021MacInstaller.dmg from where you downloaded the file, then double-click QCToolbox2021MacInstaller.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and double-click QCToolbox2021MacInstaller.dmg from the install disc, then double-click QCToolbox2021MacInstaller.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

/Library/Frameworks/Maple.framework/Versions/2021/toolbox/Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Network License .
  1. Do one of the following, depending on whether you have a single or redundant license server setup.
  • If you have a single license server setup:
  1. Select Single Server, and then click Next.
  1. Enter the name or IP address of the license server in License server.
  1. Enter the port number of the license server in Port number.
  1. Click Next.
  • If you have a redundant license server setup:
  1. Select Redundant Server, and then click Next.
  1. Enter the names or IP addresses of the license servers in License server 1, License server 2, and License server 3.
  1. Enter the port numbers of the license servers in Port number 1, Port number 2, and Port number 3.
  1. Click Next.
  1. Quantum Chemistry Toolbox 2021 is now installed. Prior to using Quantum Chemistry Toolbox 2021, you need to Configure the License Manager.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

64-bit Linux Installation Using a Network License

To install Quantum Chemistry Toolbox 2021 on your 64-bit Linux® operating system, read and complete the following tasks.

Pre-Installation Instructions

  1. Check the System Requirements for your operating system.
  1. Log on as an administrator or log on to an account, with appropriate read and write privileges, that will own the Quantum Chemistry Toolbox files.
  1. Ensure that you are connected to the Internet. If your computer does not have an Internet connection, please contact your distributor or Maplesoft customer service.
  1. This product requires Maple 2021 or later.

To identify your Maple release:

  1. Start Maple.
  1. From the Help menu, select About Maple. The About Maple 2021 dialog indicates the release number.

To update to the latest Maple release:

From the Tools menu, select Check for Updates and follow the instructions. If that option is dimmed, obtain the update from the downloads section of the Maplesoft website.

  1. Close all programs.

Install Quantum Chemistry Toolbox 2021

  1. Ensure that you have reviewed the Pre-installation Instructions.
  1. Choose one of the following two options to launch the installer:
  • From download

Run QCToolbox2021LinuxX64Installer.run from where you downloaded the file.

  • From DVD
  1. Place the install disc in the DVD-ROM drive.
  1. Locate and run QCToolbox2021LinuxX64Installer.run from the install disc.
  1. Follow the on-screen instructions.

By default, Quantum Chemistry Toolbox is installed to the following location:

$HOME/maple2021/toolbox/Quantum Chemistry

  1. In the Choose The Type of Licensing screen, select Network License .
  1. Do one of the following, depending on whether you have a single or redundant license server setup.
  • If you have a single license server setup:
  1. Select Single Server, and then click Next.
  1. Enter the name or IP address of the license server in License server.
  1. Enter the port number of the license server in Port number.
  1. Click Next.
  • If you have a redundant license server setup:
  1. Select Redundant Server, and then click Next.
  1. Enter the names or IP addresses of the license servers in License server 1, License server 2, and License server 3.
  1. Enter the port numbers of the license servers in Port number 1, Port number 2, and Port number 3.
  1. Click Next.
  1. Quantum Chemistry Toolbox 2021 is now installed. Prior to using Quantum Chemistry Toolbox 2021, you need to Configure the License Manager.

Shortcuts for Desktop and Applications menus

During installation, a maple2021.desktop file is created in the bin directory of your Quantum Chemistry Toolbox 2021 installation. If you request the installer to have a shortcut placed on your desktop, this file is also created in the ~/Desktop directory. If you wish to have a shortcut placed in your Applications menu, the maple2021.desktop file can be copied to /usr/share/applications (which may require root access) or ~/.local/share/applications.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Configure the License Manager

Configure the License Manager for Windows
Configure the License Manager for Mac OS X
Configure the License Manager for Linux

Configure the License Manager for Windows

Before starting the Windows Network version of Quantum Chemistry Toolbox 2021, you must obtain your license file and start the license manager by completing the following tasks.

  1. Install FlexNet Publisher and Activation Utilities
  1. Activate a Network License
  1. Choose one of the following:
  1. Start the License Manager for Quantum Chemistry Toolbox 2021 Only
  1. Start the License Manager for Multiple Maplesoft Products

Install FlexNet Publisher and Activation Utilities

  1. Double-click the NetworkToolsWindowsX64Installer.exe file from the install disc or from where you downloaded the file.
  1. Close all programs, particularly Microsoft® Excel® and any previous release of Quantum Chemistry Toolbox.
  1. Follow the on-screen instructions.

Activate a Network License

Network licenses for Quantum Chemistry Toolbox and other Maplesoft products are registered using the Network Tools program.

Quantum Chemistry Toolbox 2021 requires a Quantum Chemistry Toolbox 2021 license file to operate. License files for earlier versions of Quantum Chemistry Toolbox do not work with Quantum Chemistry Toolbox 2021. To obtain your license file, you must use the Maple Network Tools activation program or activate off-line by following the instructions at http://www.maplesoft.com/contact/webforms/offlineactivation/. Ensure that you can connect to the Internet as activation requires an Internet connection. If your computer does not have an Internet connection, please contact Maplesoft customer service.

  1. You can launch Network Tools from the Start screen or Start menu, depending on your version of Windows.
  • Click Activate Maple.
  • You will be prompted to enter your purchase code, hostname, and hostid of your license server. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  • You will be prompted to enter additional information including the number of licenses you are activating. Click Next when this is complete.
  • A license file, Quantum Chemistry2021.lic, will be saved to the C:\Program Files\Maple Network Tools\activate folder. You will need this license file in the next step.

Start the License Manager for Quantum Chemistry Toolbox 2021 Only

The C:\Program Files\Maple Network Tools\FLEXlm\11.13.1.2\windows directory contains license manager daemons (lmgrd and maplelmg) required to run Quantum Chemistry Toolbox, as well as utilities to assist you in installing and configuring FlexNet Publisher for your system.

Start the License Manager Daemons

If you intend to use a Novell® server, see Novell Networks.

To set up and start the license manager daemons on a Windows Network Server:

  1. From the Start menu, select Maple Network Tools>LMTools11.13.1.2.
  1. Under the Service/License File tab, click Configuration using Services.
  1. Click the Config Services tab.
  1. In the Config Services property sheet, enter or browse to the following files:

Service Name

Enter a name for the service (optional)

Path to the lmgrd.exe file

C:\Program Files\Maple Network Tools\FLEXlm\11.13.1.2\windows\lmgrd.exe

Path to the license file

C:\Program Files\Maple Network Tools\activate\Quantum Chemistry2021.lic

Path to the debug log file: Enter the path to the directory containing the debug log file. You must create this file manually (log.txt is the manually created file in the example below), as it is not automatically generated.

C:\Program Files\Maple Network Tools\FLEXlm\11.13.1.2\windows\log.txt

  1. To set up the daemons as a service (recommended), select the Use Services check box.
  1. To start the daemons at boot time (recommended), select the Start Server at Power Up check box.
  1. Click Save Service. When prompted to save the service, click Yes.
  1. Click the Start/Stop/Reread tab. In that property sheet, click Start Server to start the license manager daemons.

You can now use Quantum Chemistry Toolbox 2021.

Start the License Manager for Multiple Maplesoft Products

To run multiple Maplesoft products (including Quantum Chemistry Toolbox), you must place all license files in the same directory. If you have other FlexNet Publisher license files stored in one central location, you can store your Maplesoft product license files there as well.

Complete the following tasks:

  1. Stop the License Manager
  1. Move All Maplesoft Product License Files to a Common Directory
  1. Start the License Manager Daemons
Stop the License Manager
  1. Go to the directory of the FlexNet Publisher utilities that are currently being used and double-click lmtools.exe. Alternatively, in the Start menu, select Maple Network Tools>LMTools11.13.1.2
  1. Under the Service/License File tab, click Configuration using Services.
  1. Click the Config Services tab. From the Server Name list, select the service currently being used.
  1. Click the Start/Stop/Reread tab, then click Stop Server.
Move All Maplesoft Product License Files to a Common Directory

Using Windows Explorer, move all of the license files to a common directory, for example, C:\Program Files\Maple Network Tools\activate.

Start the License Manager Daemons
  1. From the Start menu, select Maple Network Tools >LMTools11.13.1.2.
  1. Under the Service/License File tab, click Configuration using Services.
  1. Click the Config Services tab.
  1. In the Config Services property sheet, enter or browse for the following:

Service Name

Enter a name for the service (optional)

Path to the lmgrd.exe file

C:\Program Files\Maple Network Tools\FLEXlm\11.13.1.2\windows\lmgrd.exe

Path to the license file Note: The path to the license file should not contain a terminating backslash

C:\Program Files\Maple Network Tools\activate

Path to the debug log file: Enter the path to the directory containing the debug log file. You must create this file manually (log.txt is the manually created file in the example below), as it is not automatically generated.

C:\Program Files\Maple Network Tools\FLEXlm\11.13.1.2\windows\log.txt

  1. To set up the daemons as a service (recommended), select the Use Services check box.
  1. To start the daemons at boot time (recommended), select the Start Server at Power Up check box.
  1. Click Save Service. When prompted to save the service, click Yes.
  1. Click the Start/Stop/Reread tab. In that property sheet, click Start Server to start the license manager daemons.

You can now use your network licensed Maplesoft products.

Novell Networks

FlexNet Publisher does not run on Novell or IPX/SPX. Follow these instructions to install the license manager on any network that is exclusively a Novell environment.

  1. Install TCP/IP on all client machines.
  1. Select a Windows computer that has TCP/IP installed to act as a license server and run the license daemons using the Start License Manager for Quantum Chemistry Toolbox 2021 Only instructions.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Configure the License Manager for Mac OS X

Before starting the Mac OS® X Network version of Quantum Chemistry Toolbox 2021, you must obtain your license file and start the license manager by completing the following tasks.

  1. Install FlexNet Publisher and the Activation Utilities
  1. Activate a Network License
  1. Choose one of the following:
  1. Start the License Manager for Quantum Chemistry Toolbox 2021 Only
  1. Start the License Manager for Multiple Maplesoft Products

Install FlexNet Publisher and the Activation Utilities

  1. To begin installing the FlexNet Publisher and Activation Utilities, choose one of the following:
  1. Place the Quantum Chemistry Toolbox 2021 DVD in the DVD-ROM drive.
  1. Double-click NetworkToolsMacInstaller.dmg from where you downloaded the file.
  1. Run the installer by double-clicking the NetworkToolsMacInstaller icon.
  1. Follow the on-screen instructions.

Activate a Network License

Network licenses for Quantum Chemistry Toolbox and other Maplesoft products are registered using the Network Tools program.

Quantum Chemistry Toolbox 2021 requires a Quantum Chemistry Toolbox 2021 license file to operate. License files for earlier versions of Quantum Chemistry Toolbox do not work with Quantum Chemistry Toolbox 2021. To obtain your license file, you must use the Maple Network Tools activation program or activate off-line by following the instructions at http://www.maplesoft.com/contact/webforms/offlineactivation/. Ensure that you can connect to the Internet as activation requires an Internet connection. If your computer does not have an Internet connection, please contact Maplesoft customer service.

  1. From the Finder, open a terminal window from Applications -> Utilities.
  1. Change to the location of the activation utility directory. By default, /Users/<username>/Maple_Network_Tools/activate.
  1. Run the activation script by issuing the command ./activation. To launch activation in console mode, use the -console option.
  1. You will be prompted to enter your purchase code, hostname, and hostid of your license server. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  1. You will be prompted to enter additional information including the number of licenses you are activating. Click Next when this is complete.
  1. When prompted, enter the name or IP address of the license server.
  1. A license file, Quantum Chemistry2021.lic, will be saved to the /Users/<username>/Maple_Network_Tools/activate directory. You will need this license file for the next step.

Start the License Manager for Quantum Chemistry Toolbox 2021 Only

Start the License Manager Daemons

Before you can use Quantum Chemistry Toolbox 2021, you must start the license server. It is recommended that you do not run lmgrd as root because any process run by root is a potential security risk.

  1. Navigate to the location of the FlexNet Publisher utilities for your operating system. By default, /Users/<username>/Maple_Network_Tools/FLEXlm/11.13.1.2/.
  1. Start the license manager daemons
  1. To start the license manager daemon (lmgrd), enter the following command at the prompt:

./lmgrd -c license_file_path -l debug_log &

where license_file_path is the full path and filename of the network license file (by default, /Users/<username>/Maple_Network_Tools/activate/Quantum Chemistry2021.lic), and debug_log is the name of a file to which debugging information is written. The -l option (letter l, not the number 1 (one)) creates the file.

Help for Starting the License Server

If you have any problems starting the license server in the system boot up files, refer to http://www.flexerasoftware.com.

You can now use Quantum Chemistry Toolbox 2021.

Start the License Manager for Multiple Maplesoft Products

To run multiple Maplesoft products (including Quantum Chemistry Toolbox), you must place all license files in the same directory. If you have other FlexNet Publisher license files stored in one central location, you can store your Maplesoft product license files there as well.

Complete the following tasks:

  1. Stop the License Manager
  1. Move All Maplesoft Product License Files to a Common Directory
  1. Start the License Manager Daemons
Stop the License Manager

Go to the location of the FlexNet Publisher utilities that are currently being used. For Quantum Chemistry Toolbox 2021, the default location is /Users/<username>/Maple_Network_Tools/FLEXlm/11.13.1.2/. Enter the command:

./lmdown

Move All Maplesoft Product License Files to a Common Directory

Copy all the Quantum Chemistry Toolbox network license files to /Users/<username>/Maple_Network_Tools/activate.

Start the License Manager Daemons
  1. Navigate to the location of the FlexNet Publisher utilities for your operating system. By default, /Users/<username>/Maple_Network_Tools/FLEXlm/11.13.1.2/.
  1. When starting license manager daemons, you must enter the path to the directory containing all license files. By default, /Users/<username>/Maple_Network_Tools/activate.

Note: Point to the directory only, not an actual license file.

  1. To start the license manager, enter the following command:

./lmgrd -c license_file_path -l debug_log

where license_file_path is the full path to the directory containing the license files and debug_log is the name of a file to which debugging information is written. The -l option (letter l, not the number 1 (one)) creates the file.

You can now use your network licensed Maplesoft products.

Return to the top of the Quantum Chemistry Toolbox 2021 Installation and Licensing Guide.

Configure the License Manager for Linux

Before starting the Linux Network version of Quantum Chemistry Toolbox 2021, you must obtain your license file and start the license manager by completing the following tasks.

  1. Install FlexNet Publisher and the Activation Utilities
  1. Activate a Network License
  1. Choose one of the following:
  1. Start the License Manager for Quantum Chemistry Toolbox 2021 Only
  1. Start the License Manager for Multiple Maplesoft Products

Install FlexNet Publisher and the Activation Utilities

  1. Run the NetworkToolsLinuxX64Installer.run file from the install disc or from where you downloaded the file.
  1. Follow the on-screen instructions.

Activate a Network License

Network licenses for Quantum Chemistry Toolbox and other Maplesoft products are registered using the Network Tools program.

Quantum Chemistry Toolbox 2021 requires a Quantum Chemistry Toolbox 2021 license file to operate. License files for earlier versions of Quantum Chemistry Toolbox do not work with Quantum Chemistry Toolbox 2021. To obtain your license file, you must use the Maple Network Tools activation program or activate off-line by following the instructions at http://www.maplesoft.com/contact/webforms/offlineactivation/. Ensure that you can connect to the Internet as activation requires an Internet connection. If your computer does not have an Internet connection, please contact Maplesoft customer service.

  1. Change to the location of the activation utility directory. By default, $HOME/MapleNetworkTools/activate.
  1. Run the activation command. To launch activation in console mode, use the -console option.
  1. You will be prompted to enter your purchase code, hostname, and hostid of your license server. If you are activating behind a proxy server, make sure to enter this information before clicking Next.
  1. You will be prompted to enter additional information including the number of licenses you are activating. Click Next when this is completed.
  1. A license file, Quantum Chemistry2021.lic, will be saved to the $HOME/MapleNetworkTools/activate directory. You will need this license file for the next step.

Start the License Manager for Quantum Chemistry Toolbox 2021 Only

Start the License Manager Daemons

Before you can use Quantum Chemistry Toolbox 2021, you must start the license server. It is recommended that you do not run lmgrd as root because any process run by root is a potential security risk.

  1. Navigate to the location of the FlexNet Publisher utilities for your operating system. By default, $HOME/MapleNetworkTools/FLEXlm/11.13.1.2/.
  1. Start the license manager daemons.

Using the C Shell

To start the license manager daemon (lmgrd), enter the following command at the prompt,

./lmgrd -c license_file_path -l debug_log &

where license_file_path is the full path and filename of the network license file (by default, $HOME/MapleNetworkTools/activate/Quantum Chemistry2021.lic) and debug_log is the name of a file to which debugging information is written. The -l option (letter l, not the number 1 (one)) creates the file.

Using the Korn or Bourne Shell

To start the license manager daemon (lmgrd), enter the following command at the prompt:

nohup lmgrd -c license_file_path -l debug_log 2>&1 &

Run Daemons on Startup

To have the daemons run on startup, edit the appropriate boot script (such as /etc/rc.boot, /etc/rc.local, or /etc/rc2.d/Sxxxx). For example, if you run lmgrd as a boot startup script, you can run it as a regular user by using the following su command at the prompt:

su username -c \'umask 022; lmgrd_path -c license_file_path -l log_path\'

where username is a non-privileged user; lmgrd_path is the correct path to the lmgrd file, license_file_path is the full path of the network license file (by default, $HOME/MapleNetworkTools/activate/Quantum Chemistry2021.lic), and log_path is the debug log file path. It is recommended that the network license file be called Quantum Chemistry2021.lic.

Help for Starting the License Server

If you have any problems starting the license server in the UNIX system boot up files, refer to http://www.flexerasoftware.com/.

You can now use Quantum Chemistry Toolbox 2021.

Start the License Manager for Multiple Maplesoft Products

To run multiple Maplesoft products (including Quantum Chemistry Toolbox), you must place all license files in the same directory. If you have other FlexNet Publisher license files stored in one central location, you can store Maplesoft product license files there as well.

Complete the following tasks:

  1. Stop the License Manager
  1. Move All Maplesoft Product License Files to a Common Directory
  1. Start the License Manager Daemons
Stop the License Manager

Go to the location of the FlexNet Publisher utilities that are currently being used. For Quantum Chemistry Toolbox 2021, the default location is /usr/local/MapleNetworkTools/FLEXlm/11.13.1.2/. Enter the command:

./lmdown
Move All Maplesoft Product License Files to a Common Directory

Copy all of the Quantum Chemistry Toolbox network license files to one folder, for example, $HOME/MapleNetworkTools/activate.

Start the License Manager Daemons
  1. Navigate to the location of the FlexNet Publisher utilities for your operating system. By default, $HOME/MapleNetworkTools/FLEXlm/11.13.1.2/.
  1. When starting license manager daemons, you must enter the path to the directory containing all of your license files. By default, $HOME/MapleNetworkTools/activate.

Note: Point to the directory only, not an actual license file.

  1. To start the license manager, enter the following command:

./lmgrd -c license_file_path -l debug_log

where license_file_path is the full path to the directory containing the license files and debug_log is the name of a file to which debugging information is written. The -l option (letter l, not the number 1 (one)) creates the file.

You can now use your network licensed Maplesoft products.

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Named Network Licensing

Setting up Named Network Licensing

Named Network Users run Quantum Chemistry Toolbox on their own client machines. These client machines are connected to the license server over the network. The Network Named User licensing option allows system administrators to strictly enforce which users, or client machines, may run Quantum Chemistry Toolbox.

When you install Maple Network Tools, an options file (.opt) is automatically created in the $Maple Network Tools/activate directory.

Note: By default, the vendor daemon looks for the options file (maplelmg.opt) in the same directory that contains the license file used by the license server manager.

Setting up Named Network Licensing

To set up Named Network User licensing, perform the following steps:

  1. Edit the Options File
  1. Restart the License Manager

Edit the Options File

To manually edit the options file, perform the following steps:

  • Go to the directory that contains the options file. By default, this is $Maple Network Tools/activate.
  • INCLUDE lines in an options file state which users can run the product. Add an INCLUDE line for each product. If there is more than one user per product, add an INCLUDE line for each user, as well. Alternatively, you can use the GROUP syntax to combine authorized Named Users for a specific product.
Example 1: Specifying which users can run Maple 2021 and Quantum Chemistry Toolbox 2021

INCLUDE Maple USER User1

INCLUDE Maple USER User2

INCLUDE Maple USER User3

INCLUDE Maple USER User4

INCLUDE MapleExcel USER User4

INCLUDE Quantum Chemistry USER User4

Example 2: Using GROUP syntax to specify users that can run Maple 2021 and Quantum Chemistry Toolbox 2021

GROUP Maple_users User1 User2 User3 User4

INCLUDE Maple GROUP Maple_users

INCLUDE MapleExcel USER User4

INCLUDE Quantum Chemistry USER User4

Restart the License Manager

You must restart the license manager for the changes to the options file to take effect.

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Getting Started With Quantum Chemistry Toolbox 2021

  1. Start Maple 2021.
  1. At the Maple prompt, enter the command with(Quantum Chemistry). For more information on this toolbox, enter ?Quantum Chemistry.

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System Requirements

64-bit Windows System Requirements
Macintosh System Requirements
64-bit Linux System Requirements

64-bit Windows System Requirements

Version

CPU

Recommended RAM

Hard Disk

Windows Server 2016

AMD X86_64 1 GHz Intel Xeon, Intel 64

4 GB

8 GB

Windows 10

AMD X86_64 1 GHz Intel Xeon, Intel 64

4 GB

8 GB

Windows Server 2019

AMD X86_64 1 GHz Intel Xeon, Intel 64

4 GB

8 GB

  • DVD-ROM drive (for DVD installation).
  • 16-bit color at 1024 by 768 (or greater) resolution recommended.
  • Internal TCP/IP connections enabled.
  • System performance may be affected if running below the recommended memory requirement.

Macintosh System Requirements

Vendor

CPU

Operating System

Version

Recommended RAM

Hard Disk

Apple

64-bit Intel

OS X

10.14, 10.15, 11.0

4 GB

8 GB

Apple

ARM64

OS X

11.0

4 GB

8 GB

  • DVD-ROM drive (for DVD installation).
  • 16-bit color at 1024 by 768 (or greater) resolution recommended.
  • Internal TCP/IP connections enabled.
  • System performance may be affected if running below the recommended memory requirement.
  • Classic Worksheet is not available on this platform.

64-bit Linux System Requirements

Vendor

Operating System Version

CPU

Recommended RAM

Hard Disk

Additional required packages

Red Hat Enterprise Linux

7.7, 8.0

Intel 64 or AMD X86_64

4 GB

8 GB

redhat-lsb

SUSE Linux Enterprise Desktop

15

Intel 64 or AMD X86_64

4 GB

8 GB

lsb

Ubuntu

20.04 LTS

Intel 64 or AMD X86_64

4 GB

8 GB

lsb-base, lsb-core

  • DVD-ROM drive (for DVD installation).
  • 16-bit color at 1024 by 768 (or greater) resolution recommended.
  • X11 R6.
  • Internal TCP/IP connections enabled.
  • System performance may be affected if running below the recommended memory requirement.
  • Classic Worksheet is not available on this platform.

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Trademarks

Note: Maple uses the Flexera Software Corporation FlexNet Publisher as its license manager. This document contains all the information you require for a standard Maple installation. For more information, refer to the FlexNet Publisher documentation at http://www.flexerasoftware.com/.

Maple, Maplesoft, and Waterloo Maple are trademarks of Waterloo Maple Inc.

Intel is a registered trademark of Intel Corporation.

Microsoft, Windows, Windows Server, Excel, and Internet Explorer are registered trademarks of Microsoft Corporation.

Macintosh and Mac OS are registered trademarks of Apple Computer, Inc.

Arm is a registered trademark of Arm Limited (or its subsidiaries) in the US and/or elsewhere.

NVIDIA is a registered trademark of NVIDIA Corporation.

AMD, ATI, AMD Catalyst, and Catalyst are either trademarks or registered trademarks of Advanced Micro Devices, Inc.

Java and JRE are registered trademarks of Oracle and/or its affiliates.

FLEXlm and FlexNet are registered trademarks of Flexera Software Corporation.

Linux is a registered trademark of Linus Torvalds.

Watcom is a trademark of Sybase, Inc.

All other brand names or product names are trademarks or registered trademarks of their respective companies.