Installation

Requirements

QAssemble requires Python 3.9 or later and the following packages:

Package	Purpose
NumPy	Array operations and linear algebra
SciPy	Eigensolvers, interpolation, special functions
h5py	HDF5-based data storage
mpi4py	MPI parallelization
Matplotlib	Plotting
pydlr	Discrete Lehmann Representation
SymPy	Wigner 3j symbols and Gaunt coefficients
pymatgen	Crystal structure utilities

Install from GitHub

From source (recommended)

Clone the repository and install:

git clone https://github.com/QAssemble/qassemble.git
cd QAssemble
pip install .

Editable install (for development)

git clone https://github.com/QAssemble/qassemble.git
cd QAssemble
pip install -e .

After installation, the qassemble command will be available in your terminal.

No compilation step is required — QAssemble is pure Python.