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authorDonnie Berkholz <dberkholz@gentoo.org>2004-04-02 23:53:52 +0000
committerDonnie Berkholz <dberkholz@gentoo.org>2004-04-02 23:53:52 +0000
commit5227b81ae31c3424ade8ba1bac5ca20d78620a9c (patch)
treef97733fd24334efbba2cb4c392d15cf7fd063a98 /app-sci
parentversion bump and added two additional level packs (diff)
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Version bump, closes #44377.
Diffstat (limited to 'app-sci')
-rw-r--r--app-sci/gromacs/ChangeLog7
-rw-r--r--app-sci/gromacs/Manifest4
-rw-r--r--app-sci/gromacs/files/digest-gromacs-3.2.11
-rw-r--r--app-sci/gromacs/gromacs-3.2.1.ebuild65
4 files changed, 75 insertions, 2 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/Manifest b/app-sci/gromacs/Manifest
index afc9fa52263c..a770c31d52c7 100644
--- a/app-sci/gromacs/Manifest
+++ b/app-sci/gromacs/Manifest
@@ -1,9 +1,11 @@
-MD5 ac6521b5860e3c225ffee110392185d5 ChangeLog 2180
+MD5 28d4226c92945cd841654dbcac8e86db ChangeLog 2319
MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
MD5 9da7c07e97d7e02a5aece5cb12e8627d gromacs-3.1.4-r1.ebuild 1417
MD5 76479670c978b2f8e8386d6efb46160c gromacs-3.1.4-r2.ebuild 1567
MD5 5f7482cfcfadbebcce7f201bc8ba2eeb gromacs-3.2.ebuild 1960
+MD5 bff88dbb5e99bde678602353b05188ac gromacs-3.2.1.ebuild 1885
MD5 5322e3229934a2776885a05df3606fb0 files/digest-gromacs-3.1.4-r1 66
MD5 5322e3229934a2776885a05df3606fb0 files/digest-gromacs-3.1.4-r2 66
MD5 b51100cd55b8fa6f7527a6e93c50fa51 files/gromacs-3.2-all-static-fix.patch 596
MD5 bcf8a5876f341528c9cc49932f63ac10 files/digest-gromacs-3.2 64
+MD5 e6cada3bcb0c80d058e7be754fde4612 files/digest-gromacs-3.2.1 66
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}
+}