This short guide will help you get NutMEG up and running. You can download the full package from github.
NutMEG has been built and is running on python 3.7. Previous versions of python may be stable but have not been tested. Users have noted errors occurring for systems running on python 3.8 and above. We are aware of this and will be pushing an unpdate in the near future.
In order to perform certain chemical calculations, NutMEG has a dependency on
the reaktoro package. reaktoro
is hosted on conda-forge, so we recommend using NutMEG in a conda environment
for ease of use.
By far the simplest route to get up and running would be to install
miniconda then prepare to
use NutMEG in a conda
environment. In a terminal, write:
conda config --append channels conda-forge conda install reaktoro=1
Note
At the moment, NutMEG only works with reaktoro v1.x, not v2. We're hoping to get it working on the newer version in the future.
NutMEG also depends on a few typical python libraries including numpy
,
pandas
, and matplotlib
. If you don't have these installed in your
conda environment navigate to your NutMEG directory and run:
pip install -r requirements.txt
While NutMEG is in development and not widely released, it will simply have to
sit in project folders or somewhere you can append to sys.path
. For example,
you could structure your project folder like so:
your_project/ |-- NutMEG/ `-- your_project_code.py
Or there is a way to permanently add it to your sys.path
so you can more
easily import NutMEG anywhere. Navigate to the site-packages
folder of
your conda environment and add a file usercustomize.py
containing:
..code:
import sys sys.path.extend(['/path/to/NutMEG'])