[package]
edition = "2021"
rust-version = "1.82.0"
name = "bse"
version = "0.1.0"
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Basis Set Exchange (BSE) library in Rust for quantum chemistry applications."
readme = "README.md"
keywords = [
"chemistry",
"quantum",
]
categories = ["science"]
license = "Apache-2.0"
repository = "https://github.com/RESTGroup/bse-rs"
[features]
default = ["remote"]
remote = ["ureq"]
[lib]
name = "bse"
crate-type = [
"rlib",
"cdylib",
]
path = "src/lib.rs"
[[bin]]
name = "bse-rs"
path = "src/cli/main.rs"
[[test]]
name = "test_api"
path = "tests/test_api.rs"
[[test]]
name = "test_get_basis"
path = "tests/test_get_basis.rs"
[[test]]
name = "test_notes"
path = "tests/test_notes.rs"
[[test]]
name = "test_read_basis"
path = "tests/test_read_basis.rs"
[[test]]
name = "test_readme"
path = "tests/test_readme.rs"
[[test]]
name = "test_truhlar_calendarize"
path = "tests/test_truhlar_calendarize.rs"
[dependencies.cached]
version = "0.55"
[dependencies.clap]
version = "4"
features = [
"derive",
"color",
"suggestions",
]
[dependencies.clap_complete]
version = "4"
[dependencies.derive_builder]
version = "0.20"
[dependencies.deunicode]
version = "1.6"
[dependencies.duplicate]
version = "2.0"
[dependencies.itertools]
version = "0.14"
[dependencies.lazy_static]
version = "1.5"
[dependencies.libm]
version = "0.2"
[dependencies.md5]
version = "0.8"
[dependencies.phf]
version = "0.12"
features = ["macros"]
[dependencies.regex]
version = "1.11"
[dependencies.serde]
version = "1.0"
features = ["derive"]
[dependencies.serde_json]
version = "1.0"
[dependencies.shellexpand]
version = "3"
[dependencies.textwrap]
version = "0.16"
[dependencies.toml]
version = "0.8"
[dependencies.ureq]
version = "3.0"
features = ["json"]
optional = true
[dev-dependencies.assert-json-diff]
version = "2.0"
[dev-dependencies.rstest]
version = "0.25"
[dev-dependencies.similar]
version = "2.7"
[profile.dev]
opt-level = 2