[package]
name = "rtx-science"
version = "0.1.0"
edition = "2021"
authors = ["Claude AI Assistant"]
license = "MIT"
description = "Physics-informed neural networks and scientific computing for RTX"
keywords = ["machine-learning", "scientific-computing", "physics", "chemistry", "materials"]
categories = ["science", "algorithms", "mathematics"]

[dependencies]
# Essential async and error handling
tokio = { version = "1.0", features = ["full"] }
anyhow = "1.0"
thiserror = "1.0"
tracing = "0.1"

# Serialization
serde = { version = "1.0", features = ["derive"] }
serde_json = "1.0"

# Mathematics and linear algebra
nalgebra = "0.34"
num-complex = "0.4"
rand = "0.8"

# Concurrency and parallelism
rayon = "1.8"
parking_lot = "0.12"
crossbeam = "0.8"
futures = "0.3"
async-trait = "0.1"

# Collections and indexing
indexmap = "2.0"
dashmap = "6.0"

# Additional scientific computing dependencies
approx = "0.5"
ndarray = "0.16"
ndarray-linalg = { version = "0.16", features = ["openblas-static"] }
sprs = "0.11" # Sparse matrices
itertools = "0.13"
statrs = "0.17" # Statistical distributions
ode_solvers = "0.3" # ODE solvers
rustfft = "6.0" # Fast Fourier Transform
blas = "0.22" # Basic Linear Algebra Subprograms
lapack = "0.19" # Linear Algebra Package
derive_more = "0.99"

# Graph neural networks
petgraph = "0.6"

[dev-dependencies]
tokio-test = "0.4"
proptest = "1.4"
criterion = { version = "0.5", features = ["html_reports"] }
tempfile = "3.0"

[features]
default = ["pinn", "chemistry", "biology", "materials", "computing"]

# Core features
pinn = []                    # Physics-informed neural networks
chemistry = []               # Chemistry applications
biology = []                 # Biology applications  
materials = []               # Materials science
computing = []               # Scientific computing infrastructure

# Optional integrations
cuda-enhanced = []           # Enhanced CUDA kernels
distributed-sci = []         # Distributed scientific computing

[[bench]]
name = "science_bench"
harness = false

[package.metadata.docs.rs]
all-features = true
rustdoc-args = ["--cfg", "docsrs"]