feffit 0.1.0

# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
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# "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 = "2024"
rust-version = "1.89"
name = "feffit"
version = "0.1.0"
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Pure-Rust EXAFS toolkit — data reduction (pre-edge/normalize/AUTOBK), Fourier transforms, FEFF path fitting (feffit), and feff.inp build/run; a port of larch.xafs"
readme = false
license = "MIT"
repository = "https://github.com/physwkim/feffit-rs"

[features]
default = ["feff10"]
feff10 = ["dep:feff10"]
spacegroup = ["dep:crystallographic-group"]

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

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

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

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

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

[[test]]
name = "feffdat_sigma2_parity"
path = "tests/feffdat_sigma2_parity.rs"

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

[[test]]
name = "xasproc_e0_parity"
path = "tests/xasproc_e0_parity.rs"

[[test]]
name = "xasproc_groups2matrix_parity"
path = "tests/xasproc_groups2matrix_parity.rs"

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

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

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

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

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

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

[dependencies.crystallographic-group]
version = "0.3.1"
optional = true

[dependencies.feff10]
version = "0.2.2"
optional = true

[dependencies.nalgebra]
version = "0.35"

[dependencies.num-complex]
version = "0.4"

[dependencies.rayon]
version = "1"

[dependencies.rustfft]
version = "6"

[dependencies.rusty-fitpack]
version = "0.1.2"

[dependencies.serde]
version = "1"
features = ["derive"]

[dependencies.serde_json]
version = "1"