ewald 0.1.13

Ewald SPME force calculations
Documentation 
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# 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 = "2024"
name = "ewald"
version = "0.1.13"
authors = ["David O'Connor <the_alchemist@fastmail.com>"]
build = "build.rs"
exclude = [".gitignore"]
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Ewald SPME force calculations"
documentation = "https://docs.rs/ewald"
readme = "README.md"
keywords = [
    "n-body",
    "biology",
    "chemistry",
    "barnes",
    "dynamics",
]
categories = [
    "algorithms",
    "mathematics",
    "science::computational-biology::structural-modeling",
    "science::computational-chemistry::cheminformatics",
    "science::computational-chemistry::molecular-simulation",
]
license = "MIT"
repository = "https://github.com/David-OConnor/ewald"

[features]
cuda = [
    "cuda_setup",
    "cudarc",
    "lin_alg/cuda",
]
cufft = ["cuda"]
vkfft = ["cuda"]

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

[dependencies.cudarc]
version = "0.19.0"
features = [
    "std",
    "driver",
    "nvrtc",
    "cuda-13000",
]
optional = true
default-features = false

[dependencies.lin_alg]
version = "1.3.11"

[dependencies.rayon]
version = "1.11.0"

[dependencies.realfft]
version = "3.5.0"

[dependencies.rustfft]
version = "6.4.1"

[dependencies.statrs]
version = "0.18.0"

[build-dependencies.cc]
version = "1.2.47"

[build-dependencies.cuda_setup]
version = "0.1.9"
optional = true