diff options
| -rw-r--r-- | sci-chemistry/gromacs/ChangeLog | 10 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/Manifest | 5 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/files/digest-gromacs-3.2.1-r1 | 1 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/files/gromacs-ppc64-altivec.patch | 18 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-3.2.1-r1.ebuild | 65 |
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} +} |