dreid-kernel 0.4.1

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[package]
edition = "2024"
name = "dreid-kernel"
version = "0.4.1"
authors = [
    "Tony Kan <tonykan@caltech.edu>",
    "William A. Goddard III <wag@caltech.edu>",
]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "A high-performance, no-std Rust library providing pure mathematical primitives and stateless energy kernels for the DREIDING force field."
readme = "README.md"
keywords = [
    "chemistry",
    "physics",
    "molecular-dynamics",
    "force-field",
    "dreiding",
]
categories = [
    "science::computational-chemistry::molecular-simulation",
    "no-std",
]
license = "MIT"
repository = "https://github.com/caltechmsc/dreid-kernel"

[package.metadata.docs.rs]
rustdoc-args = [
    "--html-in-header",
    "katex-header.html",
]

[features]
default = ["std"]
libm = ["dep:libm"]
std = []

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

[[test]]
name = "consistency"
path = "tests/consistency.rs"

[[bench]]
name = "benchmark"
path = "benches/benchmark.rs"
harness = false

[dependencies.libm]
version = "0.2.16"
optional = true

[dev-dependencies.approx]
version = "0.5.1"

[dev-dependencies.criterion]
version = "0.8.2"

[profile.release]
opt-level = 3
lto = true
codegen-units = 1
panic = "abort"
strip = true