added new category - app-sci

added gromacs to this category

3 files changed, 49 insertions, 0 deletions

diff --git a/app-sci/gromacs/ChangeLog b/app-sci/gromacs/ChangeLog
new file mode 100644
index 000000000000..9267e67340f4
--- /dev/null
+++ b/app-sci/gromacs/ChangeLog
@@ -0,0 +1,9 @@
+# ChangeLog for app-sci/gromacs
+# Copyright 2002 Gentoo Technologies, Inc.; Distributed under the GPL
+# /space/gentoo/cvsroot/gentoo-x86/app-text/wv/ChangeLog,v 1.2 2002/04/27 23:08:36 bangert Exp
+
+*gromacs-3.1.3 (27 Apr 2002)
+  
+  27 Apr 2002; G.Shapovalov <georges@its.caltech.edu> all_files :
+
+  initial release. 
diff --git a/app-sci/gromacs/files/digest-gromacs-3.1.3 b/app-sci/gromacs/files/digest-gromacs-3.1.3
new file mode 100644
index 000000000000..e1bf3c7de050
--- /dev/null
+++ b/app-sci/gromacs/files/digest-gromacs-3.1.3
@@ -0,0 +1 @@
+MD5 6e6a167075d1138e0cf98601a8f0608b gromacs-3.1.3.tar.gz 2656833
diff --git a/app-sci/gromacs/gromacs-3.1.3.ebuild b/app-sci/gromacs/gromacs-3.1.3.ebuild
new file mode 100644
index 000000000000..bbb6111d617a
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+++ b/app-sci/gromacs/gromacs-3.1.3.ebuild
@@ -0,0 +1,39 @@
+# Copyright 1999-2002 Gentoo Technologies, Inc.
+# Distributed under the terms of the GNU General Public License, v2 or later
+# Maintainer: George Shapovalov <george@gentoo.org>
+# /space/gentoo/cvsroot/gentoo-x86/skel.ebuild,v 1.4 2002/03/12 16:05:09 tod Exp
+
+DESCRIPTION="The ultimate Molecular Dynamics simulation package"
+
+SRC_URI="ftp://ftp.gromacs.org/pub/gromacs/${P}.tar.gz"
+
+HOMEPAGE="http://www.gromacs.org/"
+
+DEPEND="mpi? ( >=lam-6.5.2 )
+	>=fftw-2.1.3
+	>=sys-devel/binutils-2.10.91.0.2"
+
+RDEPEND="${DEPEND}"
+
+src_compile() {
+	./configure \
+		--host=${CHOST} \
+		--prefix=/usr/gromacs \
+		--includedir=/usr/include/gromacs \
+		--infodir=/usr/share/info \
+		--enable-fortran \
+		--mandir=/usr/share/man || die "./configure failed"
+	emake || die
+}
+
+src_install () {
+	make DESTDIR=${D} install || die
+
+	# Install documentation.
+	dodoc AUTHORS COPYING INSTALL README
+
+	#move html docs under /usr/share/doc
+	#and leave examples and templates under /usr/gromacs...
+	mv ${D}/usr/gromacs/share/html ${D}/usr/share/doc/${P}
+	
+}