[package]
name = "lammps-sys"
# Remember to update README.md, and html_root_url!
version = "0.6.0"
description = "Generates bindings to LAMMPS' C interface (with optional builds from source)"

authors = ["Michael Lamparski <diagonaldevice@gmail.com>"]
license = "GPL-3.0"
repository = "https://github.com/ExpHP/lammps-sys"
keywords = ["ffi", "physics", "molecular-dynamics", "materials"]
categories = ["science"]
readme = "README.md"

links = "lammps"
build = "build/main.rs"

exclude = [
    # Illegal characters in filenames for a .crate file
    "/lammps/lib/kokkos/core/src/eti/ROCm/*",
    # Large files too big for a .crate
    "/lammps/examples/*",
    "/lammps/bench/*",
    "/lammps/doc/src/*",
    "/lammps/doc/utils/*",
    "/lammps/lib/kokkos/doc*",
    "/lammps/lib/qmmm/example-*/*",
    "/lammps/tools/*",
    "/lammps/python/examples/*",
    "/lammps/potentials/*",
]

[dependencies]
mpi-sys = { version = "0.1.2", optional = true }

[build-dependencies]
bindgen = "0.31.3" # currently held back by mpi-sys
path_abs = { version = "0.3.16", default-features = false }
walkdir = "2.1.4"
extension-trait = "0.1.2"
pkg-config = "0.3.14"
cmake = "0.1.33"

[features]
default = []

#-----------------------------
# Deprecated; now just aliases

user-misc = ["package-user-misc"]
user-omp = ["package-user-omp"]

#-----------------------------
# Additional bindings

# Causes Lammps to throw exceptions rather than abort, by defining
# the C preprocessor macro `LAMMPS_EXCEPTIONS`.
#
# Exposes the following additional bindings:
# + `lammps_has_error`
# + `lammps_get_last_error_message`
exceptions = []

# Links against the system implementation of MPI.
#
# Exposes the following additional bindings:
# + `lammps_open`
mpi = ["mpi-sys"]

#-----------------------------
# Package flags
#
# Each of the following features corresponds to one of Lammps' optional packages,
# detailed on https://lammps.sandia.gov/doc/Packages.html.
#
# See README.md for more info.

package-asphere = []
package-body = []
package-class2 = []
package-colloid = []
package-compress = []
package-coreshell = []
package-dipole = []
package-gpu = []
package-granular = []
package-kim = []
package-kokkos = []
package-kspace = []
package-latte = []
package-manybody = []
package-mc = []
package-meam = []
package-misc = []
package-molecule = []
package-mpiio = []
package-mscg = []
package-opt = []
package-peri = []
package-poems = []
package-python = []
package-qeq = []
package-reax = []
package-replica = []
package-rigid = []
package-shock = []
package-snap = []
package-srd = []
package-voronoi = []

package-user-atc = []
package-user-awpmd = []
package-user-bocs = []
package-user-cgdna = []
package-user-cgsdk = []
package-user-colvars = []
package-user-diffraction = []
package-user-dpd = []
package-user-drude = []
package-user-eff = []
package-user-fep = []
package-user-h5md = []
package-user-intel = []
package-user-lb = []
package-user-mgpt = []
package-user-misc = []
package-user-manifold = []
package-user-meamc = []
package-user-meso = []
package-user-mofff = []
package-user-molfile = []
package-user-netcdf = []
package-user-omp = []
package-user-phonon = []
package-user-qmmm = []
package-user-qtb = []
package-user-quip = []
package-user-reaxc = []
package-user-smd = []
package-user-smtbq = []
package-user-sph = []
package-user-tally = []
package-user-uef = []
package-user-vtk = []