Version bump, closes #44377.

3 files changed, 72 insertions, 1 deletions

diff --git a/app-sci/gromacs/ChangeLog b/app-sci/gromacs/ChangeLog
index 219512f258ea..6034741f7dd4 100644
--- a/app-sci/gromacs/ChangeLog
+++ b/app-sci/gromacs/ChangeLog
@@ -1,6 +1,11 @@
 # ChangeLog for app-sci/gromacs
 # Copyright 2002-2004 Gentoo Technologies, Inc.; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/ChangeLog,v 1.8 2004/03/01 04:16:43 spyderous Exp $
+# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/ChangeLog,v 1.9 2004/04/02 23:53:52 spyderous Exp $
+
+*gromacs-3.2.1 (02 Apr 2004)
+
+  02 Apr 2004; Donnie Berkholz <spyderous@gentoo.org>; gromacs-3.2.1.ebuild:
+  Version bump, closes #44377.
 
 *gromacs-3.2 (29 Feb 2004)
 
diff --git a/app-sci/gromacs/files/digest-gromacs-3.2.1 b/app-sci/gromacs/files/digest-gromacs-3.2.1
new file mode 100644
index 000000000000..a81d8da1b86b
--- /dev/null
+++ b/app-sci/gromacs/files/digest-gromacs-3.2.1
@@ -0,0 +1 @@
+MD5 d298386495f6ee39b3155ce951984485 gromacs-3.2.1.tar.gz 3302723
diff --git a/app-sci/gromacs/gromacs-3.2.1.ebuild b/app-sci/gromacs/gromacs-3.2.1.ebuild
new file mode 100644
index 000000000000..560d0c6a1d4e
--- /dev/null
+++ b/app-sci/gromacs/gromacs-3.2.1.ebuild
@@ -0,0 +1,65 @@
+# Copyright 1999-2004 Gentoo Technologies, Inc.
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/gromacs-3.2.1.ebuild,v 1.1 2004/04/02 23:53:52 spyderous Exp $
+
+inherit eutils
+
+IUSE="mpi xml2"
+
+DESCRIPTION="The ultimate molecular dynamics simulation package"
+SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz"
+HOMEPAGE="http://www.gromacs.org/"
+
+LICENSE="GPL-2"
+SLOT="0"
+KEYWORDS="~x86"
+
+#mpi is a local USE flag now
+#May become official when situation with mpich is cleared (now the only mpi implementation awailable is lam-mpi)
+DEPEND="=dev-libs/fftw-2.1*
+	mpi? ( >=sys-cluster/lam-mpi-6.5.6 )
+	>=sys-devel/binutils-2.10.91.0.2
+	xml2? ( dev-libs/libxml2 )"
+
+src_compile() {
+#!!!Please note!!!
+#for troublesome work gromacs should be compiled with the same mpi setting as fftw.
+#Unfortunately portage cannot trace optional dependencies of dependencies at present.
+#Until this (planned) feature is completed, please try to do corresponding check yourself.
+	local myconf
+
+	# Enable asm on Alphas
+	if [ "${ARCH}" = "alpha" ]
+	then
+		myconf="${myconf} --enable-axp-asm"
+	fi
+
+	# static should work but something's broken.
+	# gcc spec file may be screwed up.
+	# Static linking should try -lgcc instead of -lgcc_s.
+	# For more info:
+	# http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html
+	econf \
+		--enable-fortran \
+		--datadir=/usr/share/${P} \
+		--bindir=/usr/bin \
+		--libdir=/usr/lib \
+		`use_with xml2 xml` \
+		`use_enable mpi` \
+		${myconf} || die "configure failed"
+
+	#	`use_enable static all-static` \
+
+	emake || die
+}
+
+src_install () {
+	make DESTDIR=${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 ${D}/usr/share/${P}/html ${D}/usr/share/doc/${PF}
+}