[package] name = "gchemol" version = "0.1.7" edition = "2021" authors = ["Wenping Guo "] description = "gchemol: a Graph-based CHEMical Objects Library" homepage = "https://github.com/gchemol/gchemol" repository = "https://github.com/gchemol/gchemol" license = "GPL-3.0" exclude = ["bin/*", "docs/*", "ltxpng/*", "data/*"] readme = "README.md" [dependencies] gchemol-core = "0.1.5" # NOTE: must be the same as in readwrite crate gchemol-readwrite = "0.1.10" gchemol-geometry = "0.1.1" gchemol-gut = "0.4" uom = "0.33.0" [dev-dependencies] tempfile = "3" vecfx = "0.1.2" [features] adhoc = ["gchemol-core/adhoc", "gchemol-geometry/adhoc", "gchemol-readwrite/adhoc"] # for adhoc hacking