new Formula: Gromacs 4.5.1

Signed-off-by: Adam Vandenberg <flangy@gmail.com>

1 files changed, 27 insertions, 0 deletions

diff --git a/Library/Formula/gromacs.rb b/Library/Formula/gromacs.rb
new file mode 100644
index 000000000..be90bcfbc
--- /dev/null
+++ b/Library/Formula/gromacs.rb
@@ -0,0 +1,27 @@
+require 'formula'
+
+class Gromacs <Formula
+  url 'ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5.1.tar.gz'
+  homepage 'http://www.gromacs.org/'
+  md5 'd4b737b0bea8a9390d2c3ad9b159914d'
+
+  depends_on 'fftw'
+
+  def options
+    [
+      ['--enable-mpi', "Enables MPI support"],
+      ['--enable-double',"Enables double precision"]
+    ]
+  end
+
+  def install
+    args = ["--prefix=#{prefix}"]
+    args << "--enable-mpi" if ARGV.include? '--enable-mpi'
+    args << "--enable-double" if ARGV.include? '--enable-double'
+
+    system "./configure", *args
+    system "make"
+    ENV.j1
+    system "make install"
+  end
+end