cp2k-sys 0.3.1

Builds CP2K and its native dependencies (internal -sys crate for cp2k-rs)
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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 = "cp2k-sys"
version = "0.3.1"
authors = ["Nils Holle"]
build = "build.rs"
links = "cp2k"
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Builds CP2K and its native dependencies (internal -sys crate for cp2k-rs)"
readme = false
license = "GPL-2.0-or-later"
repository = "https://gitlab.git.nrw/uni-ms/ag-salinga/cp2k-rs"

[features]
cuda = [
    "cp2k-dbcsr-sys/cuda",
    "cp2k-cosma-sys/cuda",
    "cp2k-elpa-sys/cuda",
    "cp2k-sirius-sys/cuda",
    "cp2k-libxc-sys/cuda",
]
extended = []
hip = [
    "cp2k-dbcsr-sys/hip",
    "cp2k-cosma-sys/hip",
    "cp2k-elpa-sys/hip",
    "cp2k-sirius-sys/hip",
    "cp2k-libxc-sys/hip",
]
pexsi = [
    "dep:cp2k-pexsi-sys",
    "dep:cp2k-superlu-dist-sys",
    "dep:cp2k-parmetis-sys",
]
skala = [
    "cp2k-gauxc-sys/onedft",
    "dep:cp2k-libtorch-sys",
]

[lib]
name = "cp2k_sys"
path = "src/lib.rs"

[dependencies.cp2k-cosma-sys]
version = "0.3.1"

[dependencies.cp2k-costa-sys]
version = "0.3.1"

[dependencies.cp2k-dbcsr-sys]
version = "0.3.1"

[dependencies.cp2k-dftd4-sys]
version = "0.3.1"

[dependencies.cp2k-elpa-sys]
version = "0.3.1"

[dependencies.cp2k-fftw3-sys]
version = "0.3.1"

[dependencies.cp2k-fmt-sys]
version = "0.3.1"

[dependencies.cp2k-gauxc-sys]
version = "0.3.1"

[dependencies.cp2k-gmp-sys]
version = "0.3.1"

[dependencies.cp2k-greenx-sys]
version = "0.3.1"

[dependencies.cp2k-gsl-sys]
version = "0.3.1"

[dependencies.cp2k-hdf5-sys]
version = "0.3.1"

[dependencies.cp2k-libint-sys]
version = "0.3.1"

[dependencies.cp2k-libsmeagol-sys]
version = "0.3.1"

[dependencies.cp2k-libtorch-sys]
version = "0.3.1"
optional = true

[dependencies.cp2k-libvdwxc-sys]
version = "0.3.1"

[dependencies.cp2k-libvori-sys]
version = "0.3.1"

[dependencies.cp2k-libxc-sys]
version = "0.3.1"

[dependencies.cp2k-libxsmm-sys]
version = "0.3.1"

[dependencies.cp2k-parmetis-sys]
version = "0.3.1"
optional = true

[dependencies.cp2k-pexsi-sys]
version = "0.3.1"
optional = true

[dependencies.cp2k-plumed-sys]
version = "0.3.1"

[dependencies.cp2k-pugixml-sys]
version = "0.3.1"

[dependencies.cp2k-scalapack-sys]
version = "0.3.1"

[dependencies.cp2k-sirius-sys]
version = "0.3.1"

[dependencies.cp2k-spfft-sys]
version = "0.3.1"

[dependencies.cp2k-spglib-sys]
version = "0.3.1"

[dependencies.cp2k-spla-sys]
version = "0.3.1"

[dependencies.cp2k-superlu-dist-sys]
version = "0.3.1"
optional = true

[dependencies.cp2k-tblite-sys]
version = "0.3.1"

[dependencies.cp2k-trexio-sys]
version = "0.3.1"

[dependencies.cp2k-zlib-sys]
version = "0.3.1"

[dependencies.openblas-src]
version = "0.10"
features = [
    "static",
    "cblas",
]

[build-dependencies.num_cpus]
version = "1.16"