[package]

name = "feos-dft"

version = "0.1.0"

authors = ["Philipp Rehner <rehner@itt.uni-stuttgart.de>"]

edition = "2018"

[lib]

name = "feos_dft"

crate-type = ["rlib", "cdylib"]

[dependencies]

quantity = "0.3"

feos-core = { git = "https://github.com/feos-org/feos-core", branch = "main" }

num-dual = "0.3"

ndarray = { version = "0.15", features = ["serde", "rayon"] }

ndarray-linalg = "0.14"

ndarray-stats = "0.5"

rustdct = "0.6"

rustfft = "6.0"

log = "0.4"

special-fun = "0.2"

ang = "0.5"

num-traits = { version = "0.2", default-features = false }

numpy = { version = "0.14", optional = true }

libc = "0.2"

gauss-quad = "0.1"

rayon = "1.5"

petgraph = "0.6"

[dependencies.pyo3]

version = "0.14"

features = ["extension-module", "abi3", "abi3-py36"]

optional = true

[features]

default = []

python = ["pyo3", "numpy", "feos-core/python"]

openblas-system = ["feos-core/openblas-system"]

openblas-static = ["feos-core/openblas-static"]

intel-mkl-system = ["feos-core/intel-mkl-system"]

intel-mkl-static = ["feos-core/intel-mkl-static"]

netlib-system = ["feos-core/netlib-system"]

netlib-static = ["feos-core/netlib-static"]

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Copyright (c) 2021-present feos-org and Contributors. https://github.com/feos-org/feos-dft

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