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.
With julia RMS can be installed with:
using Pkg
Pkg.add("ReactionMechanismSimulator")
Pkg.build("ReactionMechanismSimulator")
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")
Unit and functional tests for RMS can be run with:
import Pkg
Pkg.test("ReactionMechanismSimulator")
We also provide a python wrapper for RMS, pyrms. Installation instructions are available on its github page.
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
ENV["CONDA_JL_HOME"] = PATH_TO_YOUR_ENV
ENV["PYTHON"] = PATH_TO_PYTHON
Pkg.add("PyCall")
Pkg.build("PyCall")