[patch] patch against portage version

gromacs.patch (text/plain), 7.47 KB, created by Alexey Shvetsov on 2007-09-23 16:04:14 UTC

--- gromacs-3.3.1-r1.ebuild	2007-09-23 20:02:51.000000000 +0400
+++ gromacs-3.3.1-r2.ebuild	2007-09-23 19:55:27.000000000 +0400
@@ -1,14 +1,10 @@
-# Copyright 1999-2007 Gentoo Foundation
+# Copyright 1999-2006 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1-r1.ebuild,v 1.9 2007/06/13 18:15:51 armin76 Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-3.3.1.ebuild,v 1.1 2006/08/08 02:54:41 markusle Exp $
 
-inherit eutils fortran multilib
+inherit eutils fortran
 
-IUSE="3dnow X altivec double-precision mpi sse sse2"
-
-# mopac7 qm/mm is broken until we can get files from
-# http://md.chem.rug.nl/~groenhof/qmmm.html
-# or somewhere else...
+IUSE="altivec mpi xml double-precision static fortran blas lapack"
 
 DESCRIPTION="The ultimate molecular dynamics simulation package"
 SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz"
@@ -16,53 +12,34 @@
 
 LICENSE="GPL-2"
 SLOT="0"
-KEYWORDS="alpha amd64 ppc64 sparc x86"
+KEYWORDS="~x86 ~amd64 ~ppc64"
+
+# gromacs uses fortran intrinsics such as RSHIFT that
+# are currently missing from gfortran; hence we need
+# to require g77 for the time being (see bug #141672).
+FORTRAN="g77"
 
-DEPEND=">=sci-libs/fftw-3.0.1
+
+#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
 	mpi? ( virtual/mpi )
-	>=sys-devel/binutils-2.12
+	>=sys-devel/binutils-2.15
 	app-shells/tcsh
-	X? ( x11-libs/libX11
-		x11-libs/libXt
-		x11-libs/libXp
-		x11-libs/libXext
-		x11-proto/xproto
-		virtual/motif )"
+	xml? ( dev-libs/libxml2 )
+	blas? ( virtual/blas )
+	lapack? ( virtual/lapack )"
+
+pkg_setup() {
+	if use fortran; then
+		fortran_pkg_setup
+	fi
+}
 
 src_unpack() {
-
 	unpack ${A}
 	if use ppc64 && use altivec ; then
-		epatch "${FILESDIR}"/${PN}-ppc64-altivec.patch
-	fi
-
-	cd "${S}"
-
-# Fix typos in a couple of files.
-	sed -e "s:_nb_kerne010_x86_64_sse2:_nb_kernel010_x86_64_sse2:" \
-		-i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.intel_syntax.s \
-		-i src/gmxlib/nonbonded/nb_kernel_x86_64_sse2/nb_kernel010_x86_64_sse2.s \
-		|| die "Failed to fix sse2 typo."
-
-	sed -e "s:+0f:-f:" -i share/tutor/gmxdemo/demo \
-		|| die "Failed to fixup demo script."
-
-# Fix a sandbox violation that occurs when re-emerging with mpi.
-	sed "/libdir=\"\$(libdir)\"/ a\	temp_libdir=\"${D}usr/$( get_libdir )\" ; \\\\" \
-	-i src/tools/Makefile.am \
-	|| die "sed tools/Makefile.am failed"
-
-	sed -e "s:\$\$libdir:\$temp_libdir:" \
-	-i src/tools/Makefile.am \
-	|| die "sed tools/Makefile.am failed"
-
-	cd "${WORKDIR}" && mv ${P} ${P}-single ;
-
-	use double-precision && cp -prP ${P}-single ${P}-double ;
-
-	if use mpi ; then
-		cp -prP ${P}-single ${P}-single-mpi
-		use double-precision && cp -prP ${P}-double ${P}-double-mpi
+		epatch ${FILESDIR}/${PN}-ppc64-altivec.patch
 	fi
 }
 
@@ -72,141 +49,36 @@
 	# Static linking should try -lgcc instead of -lgcc_s.
 	# For more info:
 	# http://lists.debian.org/debian-gcc/2002/debian-gcc-200201/msg00150.html
-
-	# We will compile single precision by default, and suffix double-precision with _d.
-	# Sparc is the only arch I can test on that needs to use fortran.
-	local myconf ;
-
-	case "${ARCH}" in
-
-		x86)
-				myconf="$myconf $(use_enable sse ia32-sse)"
-				myconf="$myconf $(use_enable sse2 ia32-sse)"
-				myconf="$myconf $(use_enable 3dnow ia32-3dnow)"
-
-	# If you don't enable at least one of the above, you must use g77, not gfortran.
-				if ! use sse && ! use sse2 && ! use 3dnow ; then
-
-					if ! has_version "=sys-devel/gcc-3*" ; then
-						die "If you must run gromacs without sse (not recommended) gfortran will not work."
-					else myconf="$myconf --enable-fortran" && fortran_pkg_setup
-
-					fi
-				fi
-			;;
-
-		amd64)
-				myconf="$myconf --enable-x86-64-sse"
-			;;
-
-		ppc)
-				if use altivec ; then
-					myconf="$myconf --enable-ppc-altivec --disable-fortran"
-				else
-					if ! has_version "=sys-devel/gcc-3*" ; then
-
-						die "If you must run gromacs without sse (not recommended) gfortran will not work."
-					fi
-					myconf="$myconf --enable-fortran" && fortran_pkg_setup
-				fi
-			;;
-
-		ppc64)
-				if use altivec ; then
-					myconf="$myconf --enable-ppc-altivec --disable-fortran"
-				else
-					if ! has_version "=sys-devel/gcc-3*" ; then
-						die "If you must run gromacs without sse (not recommended) gfortran will not work."
-					fi
-					myconf="$myconf --enable-fortran" && fortran_pkg_setup
-				fi
-			;;
-
-		sparc)
-				if ! has_version "=sys-devel/gcc-3*" ; then
-
-					die "If you must run gromacs without sse (not recommended) gfortran will not work."
-				else
-					myconf="$myconf --enable-fortran" && fortran_pkg_setup
-				fi
-			;;
-
-		ia64)
-				myconf="$myconf --enable-ia64-asm"
-			;;
-
-		alpha)
-				myconf="$myconf --enable-axp-asm --disable-fortran"
-			;;
-
-	esac
-
-	myconf="--enable-shared \
-			--datadir=/usr/share \
-			--bindir=/usr/bin \
-			--libdir=/usr/$(get_libdir) \
-			--with-fft=fftw3 \
-			$(use_with X x) \
-			${myconf}"
-
-	#		$(use_with mopac7 qmmm-mopac) \
-
-	cd "${WORKDIR}"/${P}-single
-	econf ${myconf} --enable-float || die "configure single-precision failed"
-
-	emake || die "emake single failed"
-
-	if use mpi ; then
-		cd "${WORKDIR}"/${P}-single-mpi
-		econf ${myconf} --enable-float --enable-mpi --program-suffix=_mpi \
-			|| die "failed to configure single-mpi mdrun"
-		emake mdrun || die "failed to make single-precision mpi mdrun" ;
+	if use blas; then
+		export LIBS="$LIBS -lblas"
 	fi
-
-	if use double-precision ; then
-		cd "${WORKDIR}"/${P}-double
-
-		econf ${myconf} --enable-double --program-suffix=_d \
-			|| die "configure double-precision failed"
-
-		emake || die "emake double failed"
-
-		if use mpi ; then
-			cd "${WORKDIR}"/${P}-double-mpi
-			econf ${myconf} --enable-double --enable-mpi --program-suffix=_mpi_d \
-				|| die "failed to configure double-mpi mdrun" ;
-
-			emake mdrun \
-				|| die "failed to make double-precision mpi mdrun" ;
-		fi
+	if use lapack; then
+		export LIBS="$LIBS -llapack"
 	fi
-
+	econf \
+		--datadir=/usr/share \
+		--bindir=/usr/bin \
+		--libdir=/usr/lib \
+		--program-suffix= \
+		$(use_with xml) \
+		$(use_enable fortran) \
+		$(use_enable double-precision double) \
+		$(use_enable mpi) \
+		$(use_enable altivec ppc-altivec) \
+		$(use_enable alpha axp-asm) \
+		$(use_with blas external-blas) \
+		$(use_with lapack external-lapack) \
+		$(use_enable static all-static) || die "configure failed"
+	emake || die
 }
 
 src_install () {
-	cd ${WORKDIR}/${P}-single ;
-	emake DESTDIR=${D} install || die "installing single failed"
-
-	if use mpi ; then
-		cd "${WORKDIR}"/${P}-single-mpi
-		emake DESTDIR=${D} install-mdrun \
-		|| die "installing mdrun_mpi failed"
-	fi
-
-	if use double-precision ; then
-		cd ${WORKDIR}/${P}-double && emake DESTDIR=${D} install \
-		|| die "installing double failed"
-
-		if use mpi ; then
-			cd "${WORKDIR}"/${P}-double-mpi
-			emake DESTDIR=${D} install-mdrun \
-		|| die "installing mdrun_mpi_d failed"
-		fi
-
-	fi
+	make DESTDIR=${D} install || die
 
-	dodoc AUTHORS INSTALL README
+	# Install documentation.
+	dodoc AUTHORS COPYING INSTALL README
 
-	# Move html and leave examples and templates under /usr/share/gromacs.
-	mv "${D}"/usr/share/"${PN}"/html "${D}"/usr/share/doc/"${PF}"/
+	#move html docs under /usr/share/doc
+	#and leave examples and templates under /usr/gromacs...
+	mv ${D}/usr/share/gromacs/html ${D}/usr/share/doc/${PF}
 }