Installation

GEOM requires Python 3.8+ and the following dependencies:

• gmsh==4.11.1

• ase==3.22.1

• numpy==1.24.3

• pytest==8.3.4

• launchpadlib==2.1.0

• pyautogen==0.2.18

• flaml[automl]==2.1.1

• httpx==0.27.2

• openai==1.3.8

• python-dotenv>=1.0.1

Setting Up the Virtual Environment GEOM uses Conda to set up a virtual environment for your project. To install it and set up your environment, run the following: ` ./install.sh `

This script will:

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

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

• Configure environment variables and aliases for running GEOM.

• Build the GEOM Structure Studio desktop app (macOS: ~/Applications/GEOM.app; Linux/WSL: ~/.local/share/applications/geom.desktop).