3.1.1. Binary Installation Using Anaconda for Unix-Based Systems: Linux and Mac OSX

  • Download and install the Anaconda Python Platform for Python 2.7 (make sure not to install Python 3.0+, which is incompatible with RMG). When prompted to append Anaconda to your PATH, select or type Yes.

  • Install both RMG and the RMG-database binaries through the Terminal. Dependencies will be installed automatically. It is safest to make a new Anaconda environment for RMG and its dependencies. Type the following command into the Terminal to create the new environment named ‘rmg_env’ containing the latest stable version of the RMG program and its database.

    conda create -c rmg --name rmg_env rmg rmgdatabase

    Whenever you wish to use it you must first activate the environment:

    source activate rmg_env

  • Optional: If you wish to use the QMTP interface with MOPAC to run quantum mechanical calculations for improved thermochemistry estimates of cyclic species, please obtain a legal license through the MOPAC License Request Form. Once you have it, type the following into your Terminal

    mopac password_string_here

  • You may now run an RMG test job. Save the Minimal Example Input File to a local directory. Use the Terminal to run your RMG job inside that folder using the following command

    rmg.py input.py

You may now use RMG-Py, CanTherm, as well as any of the Standalone Modules included in the RMG-Py package.

3.1.1.1. Updating your binary installation of RMG in Linux or Mac OSX

If you had previously installed a binary version of the RMG package, you may check and update your installation to the latest stable version available on Anaconda by typing the following command on the Terminal

source activate rmg_env
conda update rmg rmgdatabase -c rmg