integral 0.3.0

# 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"
rust-version = "1.82"
name = "integral"
version = "0.3.0"
authors = ["integral contributors"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Native-Rust Gaussian integrals for quantum mechanics (driver + public API)."
homepage = "https://github.com/nmrtist/integral"
readme = "README.md"
keywords = [
    "quantum-chemistry",
    "gaussian",
    "integrals",
    "molecular",
    "eri",
]
categories = [
    "science",
    "mathematics",
]
license = "Apache-2.0 OR MIT"
repository = "https://github.com/nmrtist/integral"

[features]
periodic = [
    "dep:rustfft",
    "dep:latx",
    "dep:rayon",
]

[lib]
name = "integral"
path = "src/lib.rs"

[[test]]
name = "analytic_md_cross_check"
path = "tests/analytic_md_cross_check.rs"

[[test]]
name = "arena"
path = "tests/arena.rs"

[[test]]
name = "c2s_independent_reference"
path = "tests/c2s_independent_reference.rs"

[[test]]
name = "c2s_normalization_factors"
path = "tests/c2s_normalization_factors.rs"

[[test]]
name = "c2s_reference"
path = "tests/c2s_reference.rs"

[[test]]
name = "cross_engine"
path = "tests/cross_engine.rs"

[[test]]
name = "df"
path = "tests/df.rs"

[[test]]
name = "df_gradients"
path = "tests/df_gradients.rs"

[[test]]
name = "dispatch"
path = "tests/dispatch.rs"

[[test]]
name = "ecp"
path = "tests/ecp.rs"

[[test]]
name = "ecp_gradients"
path = "tests/ecp_gradients.rs"

[[test]]
name = "erf_gradients"
path = "tests/erf_gradients.rs"

[[test]]
name = "erf_kernel"
path = "tests/erf_kernel.rs"

[[test]]
name = "eri_builder"
path = "tests/eri_builder.rs"

[[test]]
name = "eri_cross_algorithm"
path = "tests/eri_cross_algorithm.rs"

[[test]]
name = "eri_maxima"
path = "tests/eri_maxima.rs"

[[test]]
name = "eri_md_cross_check"
path = "tests/eri_md_cross_check.rs"

[[test]]
name = "eri_md_extra"
path = "tests/eri_md_extra.rs"

[[test]]
name = "gradients"
path = "tests/gradients.rs"

[[test]]
name = "gradients_full_l"
path = "tests/gradients_full_l.rs"

[[test]]
name = "grid_coulomb"
path = "tests/grid_coulomb.rs"

[[test]]
name = "grid_coulomb_kernel"
path = "tests/grid_coulomb_kernel.rs"

[[test]]
name = "max_l_boundary"
path = "tests/max_l_boundary.rs"

[[test]]
name = "one_electron"
path = "tests/one_electron.rs"

[[test]]
name = "operator_dsl"
path = "tests/operator_dsl.rs"

[[test]]
name = "operator_extensibility"
path = "tests/operator_extensibility.rs"

[[test]]
name = "operator_new_types"
path = "tests/operator_new_types.rs"

[[test]]
name = "periodic"
path = "tests/periodic.rs"

[[test]]
name = "pvp"
path = "tests/pvp.rs"

[[test]]
name = "rys_discretization_convergence"
path = "tests/rys_discretization_convergence.rs"

[[test]]
name = "rys_interp_vs_reference_eri"
path = "tests/rys_interp_vs_reference_eri.rs"

[[test]]
name = "screening"
path = "tests/screening.rs"

[[test]]
name = "screening_independent"
path = "tests/screening_independent.rs"

[[test]]
name = "spherical"
path = "tests/spherical.rs"

[[test]]
name = "spherical_mixed_kind"
path = "tests/spherical_mixed_kind.rs"

[[test]]
name = "two_electron"
path = "tests/two_electron.rs"

[dependencies.latx]
version = "0.1.0"
optional = true

[dependencies.rayon]
version = "1"
optional = true

[dependencies.rustfft]
version = "6"
optional = true

[dev-dependencies]

[lints.clippy]
doc_markdown = "allow"

[lints.rust]
unreachable_pub = "warn"
unsafe_op_in_unsafe_fn = "warn"

[lints.rust.rust_2018_idioms]
level = "warn"
priority = -1