[package]

name = "feos-dft"

version = "0.4.1"

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"

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

categories = ["science"]

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

[package.metadata.docs.rs]

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

features = [ "rayon" ]

[dependencies]

quantity = { version = "0.6", features = ["linalg"] }

num-dual = "0.6"

feos-core = { version = "0.4", path = "../feos-core" }

ndarray = "0.15"

rustdct = "0.7"

rustfft = "6.0"

ang = "0.6"

num-traits = "0.2"

libm = "0.2"

gauss-quad = { version = "0.1", optional = true }

petgraph = "0.6"

numpy = { version = "0.18", optional = true }

pyo3 = { version = "0.18", optional = true }

[features]

default = []

rayon = ["gauss-quad", "ndarray/rayon"]

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