Cargo.toml

# [[file:gchemol-core.note::8ea3ce8a][8ea3ce8a]]
[package]
name = "gchemol-core"
version = "0.1.6"
edition = "2021"
authors = ["Wenping Guo <ybyygu@gmail.com>"]
description = "Core chemical objects for gchemol"
homepage = "https://github.com/gchemol/gchemol-core"
repository = "https://github.com/gchemol/gchemol-core"
license = "MIT OR Apache-2.0"
exclude = ["bin/*", "docs/*", "ltxpng/*", "data/*"]
keywords = ["chemistry", "molecule"]

[dependencies]
serde = { version = "1", features = ["derive"] }
serde_json = "1"
envy = "0.4"
bimap = { version = "0.6", features = ["serde"] }
vecfx = { version = "0.1.2", features = ["nalgebra"] }
gut = { version = "0.4", package = "gchemol-gut" }
neighbors = { version = "0.1", package = "gchemol-neighbors" }
gchemol-geometry = { version = "0.1.1" }
gchemol-graph = "0.1.6"
gchemol-lattice = "0.1.1"

[dev-dependencies]
# for tests only
# gchemol = { version = "0.0.42" }

# workspace independent
# [workspace]

[features]
adhoc = ["gchemol-graph/adhoc"] # for adhoc hacking
# 8ea3ce8a ends here