[package]
edition = "2021"
rust-version = "1.82"
name = "libxc"
version = "0.1.1"
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "libxc wrapper for Rust"
readme = "readme.md"
keywords = [
"ffi",
"chemistry",
]
categories = ["science"]
license = "Apache-2.0"
repository = "https://github.com/ajz34/libxc-rs"
[package.metadata.docs.rs]
features = [
"api-v7_1",
"dynamic_loading",
"cuda",
]
[features]
api-v6_2 = ["libxc-ffi/api-v6_2"]
api-v7_0 = [
"libxc-ffi/api-v7_0",
"api-v6_2",
]
api-v7_1 = [
"libxc-ffi/api-v7_1",
"api-v7_0",
]
cuda = ["dep:cudarc"]
default = [
"api-v7_0",
"dynamic_loading",
]
dynamic_loading = ["libxc-ffi/dynamic_loading"]
[lib]
name = "libxc"
path = "src/lib.rs"
[[test]]
name = "test_cuda"
path = "tests/test_cuda.rs"
[[test]]
name = "test_cuda_profile"
path = "tests/test_cuda_profile.rs"
[[test]]
name = "test_general"
path = "tests/test_general.rs"
[[test]]
name = "test_regression"
path = "tests/test_regression.rs"
[dependencies.cudarc]
version = "0.19"
features = [
"driver",
"std",
"runtime",
"cuda-version-from-build-system",
"fallback-latest",
"fallback-dynamic-loading",
]
optional = true
default-features = false
[dependencies.duplicate]
version = "2.0"
[dependencies.enumflags2]
version = "0.7"
[dependencies.indexmap]
version = "2.14"
[dependencies.lazy_static]
version = "1.5"
[dependencies.libc]
version = "0.2"
[dependencies.libxc-ffi]
version = "0.1.1"
[dependencies.strum]
version = "0.28"
[dev-dependencies.cached]
version = "0.59"
[dev-dependencies.rayon]
version = "1.12"
[dev-dependencies.toml]
version = "1.1"