[package]
name = "feos"
version = "0.7.0"
authors = ["Gernot Bauer <bauer@itt.uni-stuttgart.de>", "Philipp Rehner <prehner@ethz.ch>"]
edition = "2021"
readme = "README.md"
license = "MIT OR Apache-2.0"
description = "FeOs - A framework for equations of state and classical density functional theory."
homepage = "https://github.com/feos-org"
repository = "https://github.com/feos-org/feos"
keywords = ["physics", "thermodynamics", "equations_of_state", "phase_equilibria"]
categories = ["science"]

[package.metadata.docs.rs]
features = ["all_models", "rayon"]
rustdoc-args = [ "--html-in-header", "./docs-header.html" ]

[workspace]
members = ["feos-core", "feos-dft", "feos-derive"]

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

[dependencies]
quantity = { version = "0.8", optional = true }
num-dual = "0.9"
feos-core = { version = "0.7", path = "feos-core" }
feos-dft = { version = "0.7", path = "feos-dft", optional = true }
feos-derive = { version = "0.5", path = "feos-derive" }
numpy = { version = "0.21", optional = true }
ndarray = { version = "0.15", features = ["approx"] }
petgraph = { version = "0.6", optional = true }
thiserror = "1.0"
conv = "0.3"
num-traits = "0.2"
serde = "1.0"
serde_json = "1.0"
lazy_static = { version = "1.4", optional = true }
indexmap = "2.0"
rayon = { version = "1.7", optional = true }
itertools = "0.13"
typenum = "1.16"

[dependencies.pyo3]
version = "0.21"
features = ["extension-module", "abi3", "abi3-py37"]
optional = true

[dev-dependencies]
approx = "0.5"
criterion = "0.5"

[profile.release-lto]
inherits = "release"
lto = true
codegen-units = 1


[features]
default = []
dft = ["feos-dft", "petgraph"]
estimator = []
association = []
pcsaft = ["association"]
epcsaft = ["association"]
gc_pcsaft = ["association"]
uvtheory = ["lazy_static"]
pets = []
saftvrqmie = []
saftvrmie = []
rayon = ["dep:rayon", "ndarray/rayon", "feos-core/rayon", "feos-dft?/rayon"]
python = ["pyo3", "numpy", "quantity/python", "feos-core/python", "feos-dft?/python", "rayon"]
all_models = ["dft", "estimator", "pcsaft", "epcsaft", "gc_pcsaft", "uvtheory", "pets", "saftvrqmie", "saftvrmie"]

[[bench]]
name = "state_properties"
harness = false

[[bench]]
name = "state_creation"
harness = false

[[bench]]
name = "dual_numbers"
harness = false

[[bench]]
name = "dual_numbers_saftvrmie"
harness = false

[[bench]]
name = "contributions"
harness = false

[[bench]]
name = "dft_pore"
harness = false