install_instructions_Mac.txt

# ==================================================== #
#            Thorsten Zirwes (04/06/2023)              #
#           Guillaumne Vignat (04/10/2023)             #
# ==================================================== #

Install instructions for MacOS:


Install Anaconda with Python 3 (if required, it should not be necessary to reinstall python/anaconda)

Install Homebrew:
>/bin/bash -c "$(curl -fsSL https://github.com/Homebrew/install/HEAD/install.sh)"

Install Xcode command line utils
>xcode-select --install

install pre-requisite packages:

>brew install cmake scons boost
>conda create -n ct-PMB python=3.8
>conda activate ct-PMB
>conda install ipython matplotlib numpy ruamel.yaml cython pytest
>conda install setuptools==58.3.0

add this line to your ~/.bashrc

>export PATH="$HOME/.local/bin:$PATH"

then re-load the bashrc:

>source ~/.bashrc
>conda activate ct-PMB

Set some temporary environment variables for the installation

>which gcc
>export compilerg=XXX !! Copy path from previous command
>which g++
>export compilergpp=XXX !! Copy path from previous command
>which python
>export pythonver=XXX !! Copy path from previous command. Check that it is pointing to your Anaconda python!
>export boostpath=!!!Path to boost within homebrew, should be /opt/homebrew/Cellar/boost/1.81.0_1/include/!!! 

Prepare directory for installation:

>mkdir -p ~/Programs/Cantera && cd ~/Programs/Cantera
>git clone --recursive https://github.com/IhmeGroup/PMCToolbox
>cd PMCToolbox

Adapt the prefix path in the command below
>scons build prefix=/Users/gvignat/Documents/CanteraPMB/Cantera_PMB_install/ python_cmd=$pythonver CC=$compilerg CXX=$compilergpp debug=no optimize=yes python_package=full system_sundials=n boost_inc_dir=$boostpath
>scons install

Note: Python 3.11 removed the "rU" option in open. You can modify this option in the source code in case it poses some issue

in your ~/.bashrc, add the following line:

export PATH="$HOME/Programs/Cantera/Cantera_PMB_install/local/bin/:$PATH" !!! Adapt to your path you are using

then, source the bashrc again:

>source ~/.bashrc

To run the example case, go into the folder "PMB_example_cases" and run the compile script

Don't forget to add Mac specific compiler flags to the "compile_example.sh" files before running (see also "compile_example.sh_MACOSX")