Metadata-Version: 2.4
Name: molcrafts-molpack
Version: 0.1.0
Requires-Dist: numpy>=2.0
Requires-Dist: typer>=0.12
Requires-Dist: molcrafts-molrs>=0.6.0
Requires-Dist: molcrafts-molpy>=0.6.0
Summary: Python bindings for molpack molecular packing (Packmol port)
Home-Page: https://github.com/MolCrafts/molpack
License-Expression: BSD-3-Clause
Requires-Python: >=3.12
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM
Project-URL: Homepage, https://github.com/MolCrafts/molpack
Project-URL: Repository, https://github.com/MolCrafts/molpack

# molcrafts-molpack

Python bindings for **molpack** — a faithful Rust port of Packmol for
molecular packing, with a Packmol-compatible `.inp` script format.

The wheel is built without the `io` feature: structure frames are loaded
through your installed `molrs` Python package, and molpack builds packing
targets from the loaded frame.

See the [project repository](https://github.com/MolCrafts/molpack) for full
documentation, the `.inp` script reference, and examples.

