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Cargo.toml
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Cargo.toml
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[package]
name = "dialect"
version = "0.2.0"
authors = [
"Richard Einsele <[email protected]>",
"Joscha Hoche <[email protected]>",
"Roland Mitric <[email protected]>",
]
edition = "2021"
[workspace]
members = ["dialect-dynamics"]
[dependencies]
dialect-dynamics = { path = "dialect-dynamics" }
rusty-dftd = { git = "https://github.com/dialect-rs/DFTD.git" }
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 = "0.11.1", 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 = "0.32.1", features = ["serde"] }
itertools = "0.10.5"
libm = "0.2.5"
bspline = "1.1.0"
rusty-fitpack = { git = "https://github.com/einseler/Rusty-FITPACK" }
ndarray_einsum_beta = "0.7.0"
petgraph = "0.6.3"
nalgebra = "0.32.1"
nshare = { version = "0.9", features = ["ndarray", "nalgebra"] }
clap = "=3.0.0-beta.2"
toml = "0.7.2"
rand = "0.8.5"
log = "0.4.17"
env_logger = "0.10.0"
pretty_env_logger = "0.4"
enum-as-inner = "0.5.1"
soa_derive = "0.12.0"
data_reader = "0.4.0"
hashbrown = "0.13.2"
derive_builder = "0.12.0"
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"
rawpointer = { version = "0.2" }
[profile.release]
lto = true