[package]
name = "openmm-sys"
version = "7.4.1"

authors = ["Andrei Leonard Nicusan <a.l.nicusan@bham.co.uk>"]
edition = "2018"
description = "Rust bindings for the OpenMM toolkit for molecular simulation using high performance GPU code."
readme = "README.md"
repository = "https://github.com/uob-positron-imaging-centre/openmm-rust"
license = "MIT"

keywords = ["simulation", "molecular-dynamics", "molecular-simulation"]
categories = ["external-ffi-bindings", "science", "simulation"]

links = "OpenMM"
build = "build.rs"
exclude = ["openmm/wrappers/python"]

[lib]
name = "openmm_sys"
path = "src/lib.rs"

[build-dependencies]
cmake = "0.1"

[features]
shared-lib = []
static-lib = []

no-default = []
minimal = []

cpu = []
opencl = []
cuda = []

amoeba = []
drude = []
pme = []
rpmd = []

examples = []
generate-api-docs = []

c-and-fortran-wrappers = []

[profile.dev]
opt-level = 3
debug = false
debug-assertions = false
overflow-checks = false
lto = "thin"
panic = "abort"
incremental = true
codegen-units = 16
rpath = true

[profile.release]
opt-level = 3
debug = false
debug-assertions = false
overflow-checks = false
lto = "thin"
panic = "abort"
incremental = true
codegen-units = 16
rpath = true