rexafs 0.2.9

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[package]
edition = "2021"
rust-version = "1.98"
name = "rexafs"
version = "0.2.9"
authors = ["Ameyanagi <contact@ameyanagi.com>"]
build = false
exclude = [
    "/tests/fixtures/xas/",
    "/tests/fixtures/sessions/",
    "/tests/fixtures/analysis/",
    "/tests/cu_mixture_recovery.rs",
    "/tests/beamline_formats.rs",
    "/tests/measurement_fixtures.rs",
    "/tests/measurement_fixtures/",
]
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Rust-powered X-ray absorption spectroscopy analysis and EXAFS fitting"
homepage = "https://rexafs.com"
readme = "README.md"
keywords = [
    "xafs",
    "exafs",
    "spectroscopy",
    "xray",
    "science",
]
categories = ["science"]
license = "MIT OR Apache-2.0"
repository = "https://github.com/Ameyanagi/rexafs"

[features]
amcsd = ["dep:rusqlite"]
cod = ["http"]
default = ["trust-region"]
feff10-runner = ["dep:feff10"]
http = ["dep:ureq"]
materials-project = ["http"]
ndarray-compat = ["ndarray"]
plotting = ["ruviz"]
refeff-runner = ["dep:refeff"]
trust-region = [
    "dep:apex-solver",
    "dep:nalgebra-apex",
    "dep:faer",
]

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

[[example]]
name = "alloc_baseline"
path = "examples/alloc_baseline.rs"

[[example]]
name = "feff_backend_probe"
path = "examples/feff_backend_probe.rs"

[[example]]
name = "feff_compare_export"
path = "examples/feff_compare_export.rs"

[[example]]
name = "plot_demo"
path = "examples/plot_demo.rs"

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

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

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

[[test]]
name = "feff10_s02k_parity"
path = "tests/feff10_s02k_parity.rs"

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

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

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

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

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

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

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

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

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

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

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

[[bench]]
name = "autobk_stage_benchmark"
path = "benches/autobk_stage_benchmark.rs"
harness = false

[[bench]]
name = "feff_fitting_batch_benchmark"
path = "benches/feff_fitting_batch_benchmark.rs"
harness = false

[[bench]]
name = "perf"
path = "benches/perf.rs"

[[bench]]
name = "xas_group_benchmark_parallel"
path = "benches/xas_group_benchmark_parallel.rs"
harness = false

[[bench]]
name = "xas_group_benchmark_single"
path = "benches/xas_group_benchmark_single.rs"
harness = false

[dependencies.apex-solver]
version = "1.4.0"
optional = true
default-features = false

[dependencies.approx]
version = "0.5.1"

[dependencies.base64]
version = "0.23.1"

[dependencies.bson]
version = "3.1.0"
features = ["serde"]

[dependencies.data_reader]
version = "0.5.0"

[dependencies.easyfft]
version = "0.4.2"
features = ["serde"]

[dependencies.encoding_rs]
version = "0.8"

[dependencies.enterpolation]
version = "0.3.0"
features = [
    "std",
    "linear",
]
default-features = false

[dependencies.errorfunctions]
version = "0.2.0"

[dependencies.faer]
version = "0.24"
optional = true

[dependencies.flate2]
version = "1.1.10"

[dependencies.hdf5-pure]
version = "0.45.0"

[dependencies.itertools]
version = "0.15.0"

[dependencies.lazy_static]
version = "1.5.0"

[dependencies.levenberg-marquardt]
version = "0.15.0"

[dependencies.nalgebra]
version = "0.34.2"
features = ["serde-serialize"]

[dependencies.nalgebra-apex]
version = "0.33.3"
optional = true
package = "nalgebra"

[dependencies.ndarray]
version = "0.17.2"
features = [
    "approx",
    "serde",
]
optional = true

[dependencies.num-complex]
version = "0.4.6"
features = ["serde"]

[dependencies.pest]
version = "2.9.1"

[dependencies.pest_derive]
version = "2.9.1"

[dependencies.polyfit-rs]
version = "0.2.2"

[dependencies.rayon]
version = "1.12.0"

[dependencies.refeff]
version = "0.3.0"
features = ["exafs"]
optional = true
default-features = false

[dependencies.regex]
version = "1"

[dependencies.rusqlite]
version = "0.31"
features = ["bundled"]
optional = true

[dependencies.ruviz]
version = "0.14.1"
features = [
    "svg",
    "typst-math",
]
optional = true
default-features = false

[dependencies.semver]
version = "1.0.28"

[dependencies.serde]
version = "1.0.229"
features = ["derive"]

[dependencies.serde_json]
version = "1.0.151"
features = ["float_roundtrip"]

[dependencies.thiserror]
version = "2.0.20"

[dependencies.ureq]
version = "3"
features = ["json"]
optional = true

[dependencies.version]
version = "3.0.0"

[dev-dependencies.criterion]
version = "0.8.2"
features = ["html_reports"]

[dev-dependencies.sha2]
version = "0.11"

[target."cfg(not(windows))".dependencies.feff10]
version = "0.2.3"
features = ["prebuilt"]
optional = true

[target."cfg(unix)".dev-dependencies.pprof]
version = "0.15"
features = ["flamegraph"]