Installation

Prerequisites

Before installing wetting-angle-kit, ensure you have Python 3.10 or higher installed on your system.

Optional Dependencies Strategy

OVITO and ASE are only imported inside the respective parser classes. Installing the package without extras keeps dependencies minimal. Calling an OVITO/ASE parser without installing raises a clear ImportError with installation instructions.

Installation Options

Core (only for xyz file analysis)

pip install wetting-angle-kit

With OVITO

pip install wetting-angle-kit[ovito]

With ASE

pip install wetting-angle-kit[ase]

All optional dependencies

pip install wetting-angle-kit[all]

Install OVITO

OVITO must be installed using pip:

pip install ovito==3.11.3