[package]
edition = "2021"
name = "sci-form-cli"
version = "0.15.2"
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "CLI tool for high-performance 3D molecular conformer generation"
readme = "README.md"
keywords = [
"chemistry",
"conformer",
"cli",
]
categories = [
"command-line-utilities",
"science",
]
license = "MIT"
repository = "https://github.com/jigonzalez930209/sci-form"
[features]
alpha-edl = ["sci-form/alpha-edl"]
alpha-gsm = ["sci-form/alpha-gsm"]
alpha-kinetics = ["sci-form/alpha-kinetics"]
alpha-periodic-linear = ["sci-form/alpha-periodic-linear"]
alpha-reaction-dynamics = ["sci-form/alpha-reaction-dynamics"]
alpha-render-bridge = ["sci-form/alpha-render-bridge"]
default = ["parallel"]
experimental-alpb = ["sci-form/experimental-alpb"]
experimental-cga = ["sci-form/experimental-cga"]
experimental-cpm = ["sci-form/experimental-cpm"]
experimental-d4 = ["sci-form/experimental-d4"]
experimental-eeq = ["sci-form/experimental-eeq"]
experimental-gsm = ["sci-form/experimental-gsm"]
experimental-kpm = ["sci-form/experimental-kpm"]
experimental-mbh = ["sci-form/experimental-mbh"]
experimental-randnla = ["sci-form/experimental-randnla"]
experimental-riemannian = ["sci-form/experimental-riemannian"]
experimental-sdr = ["sci-form/experimental-sdr"]
parallel = ["sci-form/parallel"]
[[bin]]
name = "sci-form"
path = "src/main.rs"
[dependencies.clap]
version = "4"
features = ["derive"]
[dependencies.rayon]
version = "1.10"
[dependencies.sci-form]
version = "0.15.2"
default-features = false
[dependencies.serde_json]
version = "1.0"