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Cargo.toml
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Cargo.toml
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# DO NOT EDIT THIS FILE BY HAND!!
# It has been autogenerated from crates.d/rsp2.Cargo.toml
#
# To update it, run './crates gen' in the workspace root
[package]
name = "rsp2"
version = "0.1.0"
authors = ["Michael Lamparski <[email protected]>"]
edition = "2018"
# Note: The majority of subcrates are dual-licensed under MIT or Apache 2.0,
# but the project as a whole is provided under the GPL.
# Please refer to individual subcrate Cargo.tomls and source file headers.
license = "GPL-3.0"
[[bin]]
name = "rsp2"
path = "src/binary-shims/rsp2.rs"
[[bin]]
name = "rsp2-acgsd"
path = "src/binary-shims/rsp2-acgsd.rs"
[[bin]]
name = "rsp2-acgsd-and-dynmat"
path = "src/binary-shims/rsp2-acgsd-and-dynmat.rs"
[[bin]]
name = "rsp2-after-diagonalization"
path = "src/binary-shims/rsp2-after-diagonalization.rs"
[[bin]]
name = "rsp2-bond-test"
path = "src/binary-shims/rsp2-bond-test.rs"
[[bin]]
name = "rsp2-compute-for-phonopy"
path = "src/binary-shims/rsp2-compute-for-phonopy.rs"
[[bin]]
name = "rsp2-converge-vdw"
path = "src/binary-shims/rsp2-converge-vdw.rs"
[[bin]]
name = "rsp2-dynmat-analysis"
path = "src/binary-shims/rsp2-dynmat-analysis.rs"
[[bin]]
name = "rsp2-dynmat-at-q"
path = "src/binary-shims/rsp2-dynmat-at-q.rs"
[[bin]]
name = "rsp2-dynmat-at-qs"
path = "src/binary-shims/rsp2-dynmat-at-qs.rs"
[[bin]]
name = "rsp2-layer-mode-freqs"
path = "src/binary-shims/rsp2-layer-mode-freqs.rs"
[[bin]]
name = "rsp2-library-paths"
path = "src/binary-shims/rsp2-library-paths.rs"
[[bin]]
name = "rsp2-make-supercell"
path = "src/binary-shims/rsp2-make-supercell.rs"
[[bin]]
name = "rsp2-plot-vdw"
path = "src/binary-shims/rsp2-plot-vdw.rs"
[[bin]]
name = "rsp2-rerun-analysis"
path = "src/binary-shims/rsp2-rerun-analysis.rs"
[[bin]]
name = "rsp2-shear-plot"
path = "src/binary-shims/rsp2-shear-plot.rs"
[[bin]]
name = "rsp2-sparse-analysis"
path = "src/binary-shims/rsp2-sparse-analysis.rs"
[[bin]]
name = "rsp2-test-rayon"
path = "src/binary-shims/rsp2-test-rayon.rs"
[dependencies]
# Workspace members
rsp2-lammps-wrap = { path = "src/io/lammps" }
rsp2-tasks = { path = "src/tasks" }
rsp2-minimize = { path = "src/minimize" }
rsp2-assert-close = { path = "src/util/assert-close" }
rsp2-structure = { path = "src/structure" }
rsp2-structure-io = { path = "src/io/structure" }
rsp2-slice-math = { path = "src/util/slice-math" }
rsp2-util-macros = { path = "src/util/macros" }
rsp2-fs-util = { path = "src/util/fs" }
rsp2-clap = { path = "src/util/clap" }
rsp2-tasks-config = { path = "src/tasks/config" }
rsp2-array-types = { path = "src/util/array-types" }
rsp2-linalg = { path = "src/linalg" }
rsp2-integration-test = { path = "src/util/integration-test" }
rsp2-soa-ops = { path = "src/util/soa-ops" }
rsp2-newtype-indices = { path = "src/util/newtype-indices" }
rsp2-python = { path = "src/python" }
rsp2-potentials = { path = "src/potentials" }
rsp2-dftbplus = { path = "src/io/dftbplus", optional = true, default-features = false }
rsp2c-unfold = { path = "scripts/unfold_lib" }
rsp2-phonopy-io = { path = "src/io/phonopy" }
rsp2-sparse = { path = "src/util/sparse" }
rsp2-dynmat = { path = "src/dynmat" }
rsp2-bond-polarizability = { path = "src/math/bond-polarizability" }
rsp2-bond-polarizability-bin = { path = "src/binary-crates/bond-polarizability" }
rsp2-config-utils = { path = "src/util/config" }
#!!INSERTION POINT FOR NEW CRATES!!#
# (do not edit the above line!)
# Deps of examples/ and tests/.
# Some of these could be dev-dependencies, however currently
# none of them are due to rust-lang-nursery/rls#169
rand = "0.3"
serde_json = "1"
serde_yaml = "0.7"
log = "0.4"
fern = { version = "0.5", features = ["colored"] }
env_logger = "0.6.1"
clap = "2"
rsp2-kets = { tag = "v0.4.0", git = "https://github.com/ExpHP/rsp2-kets", features = ["serde"] }
slice-of-array = "0.2.1"
ansi_term = "0.10"
itertools = "0.7"
failure = "0.1.2"
path_abs = "0.5.0"
serde = { version = "1.0.91", features = ["rc"] }
serde_derive = "1.0.91"
pretty_assertions = "0.5.1"
mpi = { version = "0.5.4", optional = true }
libffi-sys = { version = "0.6.2", features = ["system"] }
[build-dependencies]
vergen = "2"
[features]
default = ["mpi-support"]
# Used by integration tests to make them show nice diffs using pretty_assertions.
#
# see doc/updating-tests.md for more details
test-diff=["rsp2-integration-test/test-diff"]
# FIXME
# Features for optional deps, because the implicit features defined by deps do not scale well.
# For now, THESE are what you should toggle in dependent crates.
#
# Once namespaced-features are stabilized, these features will be renamed after the deps.
# see https://github.com/rust-lang/cargo/issues/1286 (problem and proposal)
# https://github.com/rust-lang/cargo/issues/5565 (tracking issue, of sorts)
mpi-support = ["mpi", "rsp2-tasks/mpi-support"]
dftbplus-support = ["rsp2-tasks/dftbplus-support"]
nightly = ["beta", "rsp2-array-types/nightly", "rsp2-assert-close/nightly", "rsp2-bond-polarizability-bin/nightly", "rsp2-bond-polarizability/nightly", "rsp2-clap/nightly", "rsp2-config-utils/nightly", "rsp2-dftbplus/nightly", "rsp2-dynmat/nightly", "rsp2-fs-util/nightly", "rsp2-integration-test/nightly", "rsp2-lammps-wrap/nightly", "rsp2-linalg/nightly", "rsp2-minimize/nightly", "rsp2-newtype-indices/nightly", "rsp2-phonopy-io/nightly", "rsp2-potentials/nightly", "rsp2-python/nightly", "rsp2-slice-math/nightly", "rsp2-soa-ops/nightly", "rsp2-sparse/nightly", "rsp2-structure-io/nightly", "rsp2-structure/nightly", "rsp2-tasks-config/nightly", "rsp2-tasks/nightly", "rsp2-util-macros/nightly", "rsp2c-unfold/nightly"]
beta = ["rsp2-array-types/beta", "rsp2-assert-close/beta", "rsp2-bond-polarizability-bin/beta", "rsp2-bond-polarizability/beta", "rsp2-clap/beta", "rsp2-config-utils/beta", "rsp2-dftbplus/beta", "rsp2-dynmat/beta", "rsp2-fs-util/beta", "rsp2-integration-test/beta", "rsp2-lammps-wrap/beta", "rsp2-linalg/beta", "rsp2-minimize/beta", "rsp2-newtype-indices/beta", "rsp2-phonopy-io/beta", "rsp2-potentials/beta", "rsp2-python/beta", "rsp2-slice-math/beta", "rsp2-soa-ops/beta", "rsp2-sparse/beta", "rsp2-structure-io/beta", "rsp2-structure/beta", "rsp2-tasks-config/beta", "rsp2-tasks/beta", "rsp2-util-macros/beta", "rsp2c-unfold/beta"]
[workspace]
exclude = [
"scripts/rsp2-pot-debug",
]
[profile.dev.package."rsp2-array-types"]
opt-level = 3
[profile.dev.package."rsp2-kets"]
opt-level = 3
[profile.dev.package."rsp2-potentials"]
opt-level = 3
[profile.dev.package."rsp2-structure"]
opt-level = 3