Cargo.toml

[package]
name = "dialect"
version = "0.1.0"
authors = [
    "Richard Einsele <richard.einsele@uni-wuerzburg.de>",
    "Joscha Hoche <joscha.hoche@uni-wuerzburg.de>",
    "Roland Mitric <roland.mitric@uni-wuerzburg.de>"]
edition = "2021"

[dependencies]
chemfiles = "0.10.3"
ndarray = {version = "0.15.6", features = ["serde-1", "approx", "rayon","blas"]}
ndarray-npy = "0.8.1"
approx = "0.5.1"
ndarray-linalg = { version = "0.16", features = ["netlib-system"]}
ndarray-stats = "0.5.1"
phf = { version = "0.8.0", features = ["macros"] }
serde = { version = "1.0", features = ["derive"] }
serde_json = "1.0"
serde_derive = "1.0"
rayon = "1.5.3"
ron = "0.6.6"
peroxide = {version = "0.27.1", features = ["serde"]}
itertools = "0.10.5"
libm = "0.2.5"
bspline = "0.2.3"
rusty-fitpack = { git = "https://github.com/mitric-lab/Rusty-FITPACK.git"}
ndarray_einsum_beta = "0.5.0"
petgraph = "0.5.1"
nalgebra = "0.30.1"
nshare = {version = "0.9", features = ["ndarray", "nalgebra"]}
clap = "=3.0.0-beta.2"
toml = "0.5.9"
rand = "0.8.5"
log = "0.4.17"
env_logger = "0.8.4"
pretty_env_logger = "0.4"
enum-as-inner = "0.3.4"
soa_derive = "0.10.0"
data_reader = "0.3.0"
hashbrown = "0.12.3"
derive_builder = "0.10.2"
chrono = "0.4.22"
num-traits = "0.2.15"
anyhow = "=1.0.59"
ndarray-rand = "0.14.0"
rust_decimal = "1.26.1"
serde_repr = "0.1.9"
sphrs = { git = "https://github.com/einseler/sphrs"}
splines = "4.1.1"

[profile.release]
lto = true