[package]

name = "feos-dft"

version = "0.3.0"

authors = ["Philipp Rehner <prehner@ethz.ch>", "Gernot Bauer <bauer@itt.uni-stuttgart.de>"]

edition = "2021"

license = "MIT OR Apache-2.0"

description = "Generic classical DFT implementations for the `feos` project."

homepage = "https://github.com/feos-org"

readme = "README.md"

repository = "https://github.com/feos-org/feos-dft"

keywords = ["physics", "thermodynamics", "interfaces", "adsorption"]

categories = ["science"]

exclude = ["/.github/*", "*.ipynb"]

[package.metadata.docs.rs]

rustdoc-args = [ "--html-in-header", "./docs-header.html" ]

[dependencies]

quantity = { version = "0.5", features = ["linalg"] }

feos-core = { version = "0.3", path = "../feos-core" }

num-dual = "0.5"

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

ndarray-stats = "0.5"

rustdct = "0.7"

rustfft = "6.0"

ang = "0.6"

num-traits = "0.2"

libc = "0.2"

gauss-quad = "0.1"

petgraph = "0.6"

numpy = { version = "0.16", optional = true }

pyo3 = { version = "0.16", optional = true }

[features]

default = []

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