[package]
name = "optrs"
version = "0.1.0"
edition = "2021"
authors = ["Tom Young"]
license = "MIT OR Apache-2.0"
keywords = ["optimization", "chemistry"]
repository = "https://github.com/t-young31/opt-rs"
homepage = "https://github.com/t-young31/opt-rs"
description = "Forcefield molecule optimization"
readme = "README.md"

[[bin]]
name = "optrs"
path = "src/main.rs"

[dependencies]
clap = { version = "3.1.6", features = ["derive"] }
log = "0.4"
rand = "0.8.5"
pyo3 = { version = "0.16.5", features = ["extension-module"] }