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Installation

MoltPy requires Python 3.10 or later.

Prerequisites

  • Python 3.10, 3.11, 3.12, or 3.13
  • UV (recommended) or pip
uv tool install moltpy

This installs MoltPy as a global tool managed by UV.

Install with pip

pip install moltpy

For system-wide installation, you may need sudo or use --user.

Verify Installation

moltpy --version

You should see:

moltpy, version 0.1.0

Upgrade

With UV

uv tool upgrade moltpy

With pip

pip install --upgrade moltpy

Uninstall

With UV

uv tool uninstall moltpy

With pip

pip uninstall moltpy

Development Installation

If you want to contribute to MoltPy or run it from source:

git clone https://github.com/iolimat/moltpy.git
cd moltpy
uv sync --extra dev
uv run moltpy --help