Installation

TACO Format can be installed both as a Python package and as a Rust crate.

Python Installation

The recommended way to install TACO Format for Python is via pip:

pip install taco-format

This will install the pre-built binary wheels for your platform if available. If not, it will try to build from source, which requires Rust and maturin to be installed.

Requirements

  • Python 3.8 or newer

  • Rust compiler (only if building from source)

  • maturin` (for building from source)

Optional Dependencies

  • ASE (Atomic Simulation Environment) - For interoperability with ASE

  • MDAnalysis - For XTC format comparison

Installation from Source

To install from source:

git clone https://gitlab.com/taco-format/taco.git
cd taco
pip install maturin
maturin develop --release

Running the tests

Tests are implemented using pytest. To run the tests after installation, you can use:

pip install pytest
pytest

Rust Installation

To use TACO Format in your Rust project, add it to your Cargo.toml:

[dependencies]
taco_format = "0.1.0"

You can also build from source:

git clone https://gitlab.com/taco-format/taco.git
cd taco
cargo build --release

Verify Installation

To verify your installation, you can run:

import taco_format
print(taco_format.__version__)