57 lines
2.0 KiB
Ruby
57 lines
2.0 KiB
Ruby
class Lammps < Formula
|
|
desc "Molecular Dynamics Simulator"
|
|
homepage "http://lammps.sandia.gov/"
|
|
url "http://lammps.sandia.gov/tars/lammps-11Aug17.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 "2017-08-11"
|
|
sha256 "33431329fc735fb12d22ed33399235ef9506ba759a281a24028de538822af104"
|
|
revision 4
|
|
|
|
bottle do
|
|
cellar :any
|
|
sha256 "6e8a4829a9220e654f46e74033a8adf4fc2f8b6551e0fe8d565e865b7aefcc18" => :high_sierra
|
|
sha256 "ee741c246d6c76998d682fe28351a76ed4d581a3b7a31443896fa31e035aed22" => :sierra
|
|
sha256 "ff600c4f0c8e03bc538636552517d128a6eef46c0aa0603209b821b736cf616e" => :el_capitan
|
|
end
|
|
|
|
depends_on "fftw"
|
|
depends_on "gcc" # for gfortran
|
|
depends_on "jpeg"
|
|
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 kim kokkos mscg meam mpiio poems reax 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
|