[package]

name = "feos"

edition.workspace = true

version.workspace = true

authors.workspace = true

homepage.workspace = true

license.workspace = true

repository.workspace = true

keywords.workspace = true

categories.workspace = true

description = "FeOs - A framework for equations of state and classical density functional theory."

[package.metadata.docs.rs]

features = ["all_models"]

[dependencies]

quantity = { workspace = true }

num-dual = { workspace = true }

ndarray = { workspace = true, optional = true }

nalgebra = { workspace = true }

petgraph = { workspace = true, optional = true }

thiserror = { workspace = true }

num-traits = { workspace = true }

serde = { workspace = true }

serde_json = { workspace = true }

indexmap = { workspace = true }

rayon = { workspace = true, optional = true }

itertools = { workspace = true }

feos-core = { workspace = true }

feos-derive = { workspace = true, optional = true }

feos-dft = { workspace = true, optional = true }

[dev-dependencies]

approx = { workspace = true }

quantity = { workspace = true, features = ["approx"] }

criterion = { workspace = true }

[features]

default = []

dft = ["feos-dft", "petgraph", "ndarray", "num-dual/ndarray", "feos-derive"]

association = []

pcsaft = ["association"]

epcsaft = ["association"]

gc_pcsaft = ["association"]

uvtheory = []

pets = []

saftvrqmie = []

saftvrmie = ["association"]

multiparameter = []

rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"]

all_models = [

"dft",

"pcsaft",

"epcsaft",

"gc_pcsaft",

"uvtheory",

"pets",

"saftvrqmie",

"saftvrmie",

"multiparameter"

]

[[bench]]

name = "state_properties"

harness = false

required-features = ["pcsaft"]

[[bench]]

name = "state_creation"

harness = false

required-features = ["pcsaft"]

[[bench]]

name = "dual_numbers"

harness = false

required-features = ["pcsaft"]

[[bench]]

name = "dual_numbers_saftvrmie"

required-features = ["saftvrmie"]

harness = false

[[bench]]

name = "contributions"

harness = false

required-features = ["pcsaft"]

[[bench]]

name = "dft_pore"

harness = false

required-features = ["pcsaft", "gc_pcsaft", "dft"]