# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

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

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

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

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

[[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

[dependencies.conv]
version = "0.3"

[dependencies.feos-core]
version = "0.7"

[dependencies.feos-derive]
version = "0.5"

[dependencies.feos-dft]
version = "0.7"
optional = true

[dependencies.indexmap]
version = "2.0"

[dependencies.itertools]
version = "0.13"

[dependencies.lazy_static]
version = "1.4"
optional = true

[dependencies.ndarray]
version = "0.15"
features = ["approx"]

[dependencies.num-dual]
version = "0.9"

[dependencies.num-traits]
version = "0.2"

[dependencies.numpy]
version = "0.21"
optional = true

[dependencies.petgraph]
version = "0.6"
optional = true

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

[dependencies.quantity]
version = "0.8"
optional = true

[dependencies.rayon]
version = "1.7"
optional = true

[dependencies.serde]
version = "1.0"

[dependencies.serde_json]
version = "1.0"

[dependencies.thiserror]
version = "1.0"

[dependencies.typenum]
version = "1.16"

[dev-dependencies.approx]
version = "0.5"

[dev-dependencies.criterion]
version = "0.5"

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