59 lines
2.1 KiB
Ruby
59 lines
2.1 KiB
Ruby
class Lammps < Formula
|
|
desc "Molecular Dynamics Simulator"
|
|
homepage "https://lammps.sandia.gov/"
|
|
url "https://github.com/lammps/lammps/archive/stable_3Mar2020.tar.gz"
|
|
# lammps releases are named after their release date. We transform it to
|
|
# YYYY-MM-DD (year-month-day) so that we get a sane version numbering.
|
|
# We only track stable releases as announced on the LAMMPS homepage.
|
|
version "2020-03-03"
|
|
sha256 "a1a2e3e763ef5baecea258732518d75775639db26e60af1634ab385ed89224d1"
|
|
license "GPL-2.0"
|
|
|
|
bottle do
|
|
sha256 "9434567739e6497752d8b2e76b7dd06723b2d9773510e92d3e00aa601208c532" => :catalina
|
|
sha256 "6c450ea6fd0261adb9b18a8c09f69763b84f51d696c5bb269bf3b141f01bd484" => :mojave
|
|
sha256 "1a3ecf33da4145a48ab4c645bdb762ef8997c79e2ddaba33b6a12db898c8e73f" => :high_sierra
|
|
end
|
|
|
|
depends_on "pkg-config" => :build
|
|
depends_on "fftw"
|
|
depends_on "gcc" # for gfortran
|
|
depends_on "jpeg"
|
|
depends_on "kim-api"
|
|
depends_on "libpng"
|
|
depends_on "open-mpi"
|
|
|
|
def install
|
|
%w[serial mpi].each do |variant|
|
|
cd "src" do
|
|
system "make", "clean-all"
|
|
system "make", "yes-standard"
|
|
|
|
# Disable some packages for which we do not have dependencies, that are
|
|
# deprecated or require too much configuration.
|
|
%w[gpu kokkos latte mscg message mpiio poems voronoi].each do |package|
|
|
system "make", "no-#{package}"
|
|
end
|
|
|
|
system "make", variant,
|
|
"LMP_INC=-DLAMMPS_GZIP",
|
|
"FFT_INC=-DFFT_FFTW3 -I#{Formula["fftw"].opt_include}",
|
|
"FFT_PATH=-L#{Formula["fftw"].opt_lib}",
|
|
"FFT_LIB=-lfftw3",
|
|
"JPG_INC=-DLAMMPS_JPEG -I#{Formula["jpeg"].opt_include} " \
|
|
"-DLAMMPS_PNG -I#{Formula["libpng"].opt_include}",
|
|
"JPG_PATH=-L#{Formula["jpeg"].opt_lib} -L#{Formula["libpng"].opt_lib}",
|
|
"JPG_LIB=-ljpeg -lpng"
|
|
|
|
bin.install "lmp_#{variant}"
|
|
end
|
|
end
|
|
|
|
pkgshare.install(%w[doc potentials tools bench examples])
|
|
end
|
|
|
|
test do
|
|
system "#{bin}/lmp_serial", "-in", "#{pkgshare}/bench/in.lj"
|
|
end
|
|
end
|