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authorOmkhar Arasaratnam <omkhar@gentoo.org>2005-08-04 19:05:26 +0000
committerOmkhar Arasaratnam <omkhar@gentoo.org>2005-08-04 19:05:26 +0000
commit656e2a03842c179f86952ce654c4d6d24ec921b8 (patch)
treebb96b691cbb86ee647534e09e56b177db1896cd6 /sci-chemistry/gromacs
parentAnother minor fix (diff)
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Added ppc64 support and altivec support
Package-Manager: portage-2.0.51.22-r2
Diffstat (limited to 'sci-chemistry/gromacs')
-rw-r--r--sci-chemistry/gromacs/ChangeLog10
-rw-r--r--sci-chemistry/gromacs/Manifest5
-rw-r--r--sci-chemistry/gromacs/files/digest-gromacs-3.2.1-r11
-rw-r--r--sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch18
-rw-r--r--sci-chemistry/gromacs/gromacs-3.2.1-r1.ebuild65
5 files changed, 96 insertions, 3 deletions
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog
index 3ff3e56133e6..d9e1bf27d29c 100644
--- a/sci-chemistry/gromacs/ChangeLog
+++ b/sci-chemistry/gromacs/ChangeLog
@@ -1,6 +1,12 @@
# ChangeLog for sci-chemistry/gromacs
-# Copyright 2002-2004 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.3 2005/07/08 05:17:14 spyderous Exp $
+# Copyright 2002-2005 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.4 2005/08/04 19:05:26 omkhar Exp $
+
+*gromacs-3.2.1-r1 (04 Aug 2005)
+
+ 04 Aug 2005; <omkhar@gentoo.org> +files/gromacs-ppc64-altivec.patch,
+ +gromacs-3.2.1-r1.ebuild:
+ Added ppc64 support and altivec support
24 Dec 2004; Olivier Fisette <ribosome@gentoo.org> +metadata.xml,
+gromacs-3.2.1.ebuild:
diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index f77bd7f007d6..d07dde64e6be 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,4 +1,7 @@
-MD5 3f474cdfd100e29bac23c2e2e5a8efcc ChangeLog 3061
+MD5 47be30c5c98ff992c5278839936583c9 ChangeLog 3233
MD5 e2ac581b7af5fc0b74fee0411ca827aa gromacs-3.2.1.ebuild 1903
MD5 af1bfbb0777267a03e889b08173f2757 metadata.xml 248
+MD5 a29142c28f5f45b35825c585f2f8235f gromacs-3.2.1-r1.ebuild 1939
MD5 e6cada3bcb0c80d058e7be754fde4612 files/digest-gromacs-3.2.1 66
+MD5 9b9943fcbea89babd6c5cbc8ad67253d files/gromacs-ppc64-altivec.patch 584
+MD5 e6cada3bcb0c80d058e7be754fde4612 files/digest-gromacs-3.2.1-r1 66
diff --git a/sci-chemistry/gromacs/files/digest-gromacs-3.2.1-r1 b/sci-chemistry/gromacs/files/digest-gromacs-3.2.1-r1
new file mode 100644
index 000000000000..a81d8da1b86b
--- /dev/null
+++ b/sci-chemistry/gromacs/files/digest-gromacs-3.2.1-r1
@@ -0,0 +1 @@
+MD5 d298386495f6ee39b3155ce951984485 gromacs-3.2.1.tar.gz 3302723
diff --git a/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch b/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch
new file mode 100644
index 000000000000..d170bbd70ad3
--- /dev/null
+++ b/sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch
@@ -0,0 +1,18 @@
+diff -Naur gromacs-3.2.1/include/ppc_altivec.h gromacs-3.2.1-new/include/ppc_altivec.h
+--- gromacs-3.2.1/include/ppc_altivec.h 2003-11-18 02:41:58.000000000 -0600
++++ gromacs-3.2.1-new/include/ppc_altivec.h 2005-08-04 13:42:05.000000000 -0500
+@@ -33,6 +33,14 @@
+ #ifndef _ppc_altivec_h
+ #define _ppc_altivec_h
+
++#if !defined(__APPLE_ALTIVEC__)
++#include <altivec.h>
++#ifdef bool
++#undef bool
++#define bool int
++#endif
++#endif
++
+ static char *SRCID_ppc_altivec_h = "$Id: ppc_altivec.h,v 1.7 2003/11/18 08:41:58 lindahl Exp $";
+ #ifdef HAVE_CONFIG_H
+ #include <config.h>
diff --git a/sci-chemistry/gromacs/gromacs-3.2.1-r1.ebuild b/sci-chemistry/gromacs/gromacs-3.2.1-r1.ebuild
new file mode 100644
index 000000000000..a5015f9b669b
--- /dev/null
+++ b/sci-chemistry/gromacs/gromacs-3.2.1-r1.ebuild
@@ -0,0 +1,65 @@
+# 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-3.2.1-r1.ebuild,v 1.1 2005/08/04 19:05:26 omkhar 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 )"
+
+src_unpack() {
+ unpack ${A}
+ epatch ${FILESDIR}/${PN}-ppc64-altivec.patch
+}
+
+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.
+
+ # 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}
+}