(#109184) Bump. Main change in ebuild is adding a check for fftw built w/ mpi if...

Package-Manager: portage-2.0.53_rc5

diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
index d2c5eb0dc8d181ed7aa4d093934fe3097656178d..9aebaf3c4a3d8ad327acc4af39ba3a63b5f48299 100644 (file)
--- a/sci-chemistry/gromacs/ChangeLog
+++ b/sci-chemistry/gromacs/ChangeLog
@@ -1,6 +1,13 @@
 # ChangeLog for sci-chemistry/gromacs
 # Copyright 2002-2005 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.5 2005/08/05 15:55:41 omkhar Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.6 2005/10/14 00:44:11 spyderous Exp $
+
+*gromacs-3.3 (14 Oct 2005)
+
+  14 Oct 2005; Donnie Berkholz <spyderous@gentoo.org>; +gromacs-3.3.ebuild:
+  (#109184) Bump. Main change in ebuild is adding a check for fftw built w/
+  mpi if trying to build w/ mpi. One of the more interesting upstream changes
+  is the addition of x86-64 and ia64 assembly.
 
   05 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
   gromacs-3.2.1-r1.ebuild:

diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 9ec03ff841b9ec0da5375460158fcc695ae8c5bd..dea3c5a76337654f498d95ceb9bff54fe90edbb4 100644 (file)
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,7 +1,9 @@
-MD5 e2ac581b7af5fc0b74fee0411ca827aa gromacs-3.2.1.ebuild 1903
-MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
-MD5 72243d3eeff43fd5a854e7439af91855 gromacs-3.2.1-r1.ebuild 1980
-MD5 59978ab5feb42b127851e8beab43247e ChangeLog 3429
+MD5 f4f0f37853908905cd7804587575ff32 ChangeLog 3738
 MD5 e6cada3bcb0c80d058e7be754fde4612 files/digest-gromacs-3.2.1 66
 MD5 e6cada3bcb0c80d058e7be754fde4612 files/digest-gromacs-3.2.1-r1 66
+MD5 b35c347e16c4563524f8cacd04a61f33 files/digest-gromacs-3.3 64
 MD5 46d715de402fc04d726086455ba7f074 files/gromacs-ppc64-altivec.patch 571
+MD5 72243d3eeff43fd5a854e7439af91855 gromacs-3.2.1-r1.ebuild 1980
+MD5 e2ac581b7af5fc0b74fee0411ca827aa gromacs-3.2.1.ebuild 1903
+MD5 b46f91924b29c10c1b1b7e04164bbea3 gromacs-3.3.ebuild 1963
+MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248

diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.3 b/sci-chemistry/gromacs/files/digest-gromacs-3.3
new file mode 100644 (file)
index 0000000..757b281
--- /dev/null
+++ b/sci-chemistry/gromacs/files/digest-gromacs-3.3
@@ -0,0 +1 @@
+MD5 99ea6f25a89f1511f51c350a66a2fdc4 gromacs-3.3.tar.gz 5906342

diff --git a/sci-chemistry/gromacs/gromacs-3.3.ebuild b/sci-chemistry/gromacs/gromacs-3.3.ebuild
new file mode 100644 (file)
index 0000000..98139b6
--- /dev/null
+++ b/sci-chemistry/gromacs/gromacs-3.3.ebuild
@@ -0,0 +1,73 @@
+# Copyright 1999-2005 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.ebuild,v 1.1 2005/10/14 00:44:11 spyderous Exp $
+
+inherit eutils
+
+IUSE="altivec 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 ~amd64 ~ppc64"
+
+#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="=sci-libs/fftw-2.1*
+       mpi? ( >=sys-cluster/lam-mpi-6.5.6 )
+       >=sys-devel/binutils-2.10.91.0.2
+       app-shells/tcsh
+       xml2? ( dev-libs/libxml2 )"
+
+pkg_setup() {
+       # !!!Please note!!!
+       # for troublesome work gromacs should be compiled with the same mpi setting
+       # as fftw.
+       if use mpi; then
+               if ! built_with_use =sci-libs/fftw-2.1* mpi; then
+                       die "=sci-libs/fftw-2.1* must be built with USE=mpi."
+               fi
+       fi
+}
+
+src_unpack() {
+       unpack ${A}
+       if use ppc64 && use altivec ; then
+               epatch ${FILESDIR}/${PN}-ppc64-altivec.patch
+       fi
+}
+
+src_compile() {
+       # 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) \
+               $(use_enable altivec ppc-altivec) \
+               $(use_enable alpha axp-asm) || 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}
+}