[package]
edition = "2021"
name = "trexio"
version = "2.6.1"
authors = [
"Anthony Scemama <scemama@irsamc.ups-tlse.fr>",
"Evgeny Posenitskiy",
]
build = "build.rs"
links = "trexio"
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of providing a reliable and efficient method of storing and exchanging wave function parameters and matrix elements."
readme = "README.md"
keywords = [
"quantum",
"chemistry",
]
license = "BSD-3-Clause"
repository = "https://github.com/trex-coe/trexio"
[lib]
name = "trexio"
path = "src/lib.rs"
doctest = false
[[test]]
name = "read_write"
path = "tests/read_write.rs"
[dependencies]
[build-dependencies.bindgen]
version = "0.65.1"
[build-dependencies.pkg-config]
version = "0.3.31"
[build-dependencies.serde]
version = "1.0"
features = ["derive"]
[build-dependencies.serde_json]
version = "1.0"