Getting started

Prerequisites

AMPL is a Python 3 package that has been developed and run in a specific pip environment.

Install

Clone the git repository:

git clone https://github.com/ATOMScience-org/AMPL.git

Please refer to this link, https://github.com/ATOMScience-org/AMPL#Install, for details.

Create pip environment:

module load python/3.8.2 # use python 3.8.2
python3 -m venv atomsci # create a new pip env
source atomsci/bin/activate # activate the environemt

python3 -m pip install pip --upgrade
cd $AMPL_HOME/pip # cd to AMPL repo's pip directory

pip3 install --force-reinstall --no-use-pep517 -r requirements.txt

Note

Depending on system performance, creating the environment can take some time.