Install Julia

RMS is written in Juila language. So before stepping any further, Julia needs to be installed. The download links can be found at download Julia. More instructions can be found from the instruction page.

Standard Installation

With julia RMS can be installed with:

using Pkg
Pkg.add("ReactionMechanismSimulator")
Pkg.build("ReactionMechanismSimulator")

Developer Installation

Clone RMS to your machine in an appropriate location we will refer to as RMS_PATH`:

git clone https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl.git

then you can install with

import Pkg
Pkg.develop(Pkg.PackageSpec(path=RMS_PATH)) 
Pkg.build("ReactionMechanismSimulator")

Testing RMS

Unit and functional tests for RMS can be run with:

import Pkg
Pkg.test("ReactionMechanismSimulator")

pyrms

We also provide a python wrapper for RMS, pyrms. Installation instructions are available on its github page.

Julia-Python Linking

The above instructions will automatically handle Julia-Python linking. However, in some cases it can be useful to use python from a specific conda environment. For these cases we provide instructions to relink Julia to a different Anaconda Python environment where PATH_TO_YOUR_ENV is the path to the Anaconda environment and PATH_TO_PYTHON is the path to the associated Python executable:

import Pkg
Pkg.add("PyCall")                              
ENV["CONDA_JL_HOME"] = PATH_TO_YOUR_ENV        
Pkg.build("Conda")                             
ENV["PYTHON"] = PATH_TO_PYTHON                 
Pkg.build("PyCall")