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-rw-r--r--Library/Formula/gromacs.rb27
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