From 69c0ff7d888db7523c4fed61381fa943b00665a1 Mon Sep 17 00:00:00 2001 From: Donnie Berkholz Date: Mon, 1 Mar 2004 04:16:43 +0000 Subject: Version bump. New xml2 USE flag. --- app-sci/gromacs/ChangeLog | 8 ++- app-sci/gromacs/Manifest | 5 +- app-sci/gromacs/files/digest-gromacs-3.2 | 1 + .../gromacs/files/gromacs-3.2-all-static-fix.patch | 12 ++++ app-sci/gromacs/gromacs-3.2.ebuild | 70 ++++++++++++++++++++++ 5 files changed, 94 insertions(+), 2 deletions(-) create mode 100644 app-sci/gromacs/files/digest-gromacs-3.2 create mode 100644 app-sci/gromacs/files/gromacs-3.2-all-static-fix.patch create mode 100644 app-sci/gromacs/gromacs-3.2.ebuild (limited to 'app-sci/gromacs') diff --git a/app-sci/gromacs/ChangeLog b/app-sci/gromacs/ChangeLog index 1829e97a440b..219512f258ea 100644 --- a/app-sci/gromacs/ChangeLog +++ b/app-sci/gromacs/ChangeLog @@ -1,6 +1,12 @@ # ChangeLog for app-sci/gromacs # Copyright 2002-2004 Gentoo Technologies, Inc.; Distributed under the GPL v2 -# $Header $ +# $Header: /var/cvsroot/gentoo-x86/app-sci/gromacs/ChangeLog,v 1.8 2004/03/01 04:16:43 spyderous Exp $ + +*gromacs-3.2 (29 Feb 2004) + + 29 Feb 2004; Donnie Berkholz ; gromacs-3.2.ebuild, + files/gromacs-3.2-all-static-fix.patch: + Version bump. New xml2 USE flag. *gromacs-3.1.4-r2 (28 Feb 2004) diff --git a/app-sci/gromacs/Manifest b/app-sci/gromacs/Manifest index 14c23dc018ac..afc9fa52263c 100644 --- a/app-sci/gromacs/Manifest +++ b/app-sci/gromacs/Manifest @@ -1,6 +1,9 @@ -MD5 bce25cce854a9ed7ab0a403e57ec9fbb ChangeLog 1907 +MD5 ac6521b5860e3c225ffee110392185d5 ChangeLog 2180 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 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 diff --git a/app-sci/gromacs/files/digest-gromacs-3.2 b/app-sci/gromacs/files/digest-gromacs-3.2 new file mode 100644 index 000000000000..e328437611aa --- /dev/null +++ b/app-sci/gromacs/files/digest-gromacs-3.2 @@ -0,0 +1 @@ +MD5 b7b1ec42f0207794bb3a24fef541f3f5 gromacs-3.2.tar.gz 3303227 diff --git a/app-sci/gromacs/files/gromacs-3.2-all-static-fix.patch b/app-sci/gromacs/files/gromacs-3.2-all-static-fix.patch new file mode 100644 index 000000000000..79682e6b0593 --- /dev/null +++ b/app-sci/gromacs/files/gromacs-3.2-all-static-fix.patch @@ -0,0 +1,12 @@ +diff -urN gromacs-3.2.orig/configure.ac gromacs-3.2/configure.ac +--- gromacs-3.2.orig/configure.ac 2004-02-29 22:50:34.000000000 -0500 ++++ gromacs-3.2/configure.ac 2004-02-29 22:42:19.000000000 -0500 +@@ -178,7 +178,7 @@ + + + AC_ARG_ENABLE(all-static, +- [ --enable-all-static make completely static binaries],enable_all_static=yes, enable_all_static=no) ++ [ --enable-all-static make completely static binaries],, enable_all_static=no) + # Dont add the -all-static flag until after the compiler test. + + ### Compile without FFTW - disabling it means you can't use PME or PPPM! diff --git a/app-sci/gromacs/gromacs-3.2.ebuild b/app-sci/gromacs/gromacs-3.2.ebuild new file mode 100644 index 000000000000..e4a7c49c3b58 --- /dev/null +++ b/app-sci/gromacs/gromacs-3.2.ebuild @@ -0,0 +1,70 @@ +# 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.ebuild,v 1.1 2004/03/01 04:16:43 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_unpack() { + unpack ${A} + epatch ${FILESDIR}/${P}-all-static-fix.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. + 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} +} -- cgit v1.2.3-65-gdbad