Installation Guide

Get started with Quantum ARISE research packages in minutes.

Prerequisites

  • ✓ Python 3.9 or higher
  • ✓ pip package manager
  • ✓ Git (for development installations)
  • ✓ 4GB RAM minimum recommended

Install Individual Packages

Install specific packages as needed:

pvsim-pv (TCAD Simulator)

pip install "pvsim-pv[tcad,botorch]"

qe-to-tcad (Quantum ESPRESSO to TCAD bridge)

pip install "qe-to-tcad[tcad]"

materials-cli (Discovery Funnel)

pip install "materials-cli[compute]"

aiida-dftbplus (DFTB+ AiiDA Plugin)

pip install aiida-dftbplus

Verify Installation

Check that the packages are correctly installed by importing them:

python -c "import pvsim; print('PVSim import successful!')"

Development Installation

Install from source for development:

git clone https://github.com/quantum-arise/packages.git
cd packages
pip install -e .

Need Help?

If you encounter any issues during installation, check our troubleshooting guide or reach out to our community forum.