Installation

Prerequisites

Before installing wetting-angle-kit, ensure you have the following prerequisites:

Python 3.10 or higher: Make sure you have Python 3.10 or higher installed on your system.
Conda: Ensure you have Conda installed. If not, you can install it from here.

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 the following Conda command:

conda install --strict-channel-priority -c https://conda.ovito.org -c conda-forge ovito=3.11.3