Installation

GEOM requires Python 3.6+ and the following dependencies:

  • gmsh==4.11.1

  • ase==3.22.1

  • numpy==1.24.3

  • pytest==8.3.4

  • launchpadlib==2.1.0

To set up your environment, run the following script:

` ./install.sh `

This script will:

  • Check if Miniconda or Anaconda is installed. If not, it will prompt you to install Miniconda.

  • Set up a Conda virtual environment named geom_env with the necessary dependencies.

  • Configure environment variables and aliases for running GEOM.