improved gromacs build

svn path=/; revision=226

2 files changed, 35 insertions, 21 deletions

diff --git a/sci-chemistry/gromacs/Manifest b/sci-chemistry/gromacs/Manifest
index 1e532e1..aef45f0 100644
--- a/sci-chemistry/gromacs/Manifest
+++ b/sci-chemistry/gromacs/Manifest
@@ -1,2 +1,2 @@
 DIST gromacs-3.3.3.tar.gz 8013789 RMD160 c7b495423eb07682e88bd7d5c61e0aa9156a17d1 SHA1 318802e39f3ca3e847261a3b96906266e32deba2 SHA256 b95becbe410b71fe9bc19b91dfeb98b940dbb2d66613c9e1de7f6d21fb7534fa
-EBUILD gromacs-3.3.3.ebuild 5703 RMD160 62fe431fbe8c149d7d2f465cbf32c355041114ca SHA1 394f5b9dff3ee4c07f4becc4e11199ab19d73ff0 SHA256 a8e9418009fc43e545e630a90f388b42dbf1e358e44bcd6c3fde0a8dd60f18b4
+EBUILD gromacs-3.3.3.ebuild 6008 RMD160 45f8fa4a0eb9059a047ab774ac6d097f6006e86d SHA1 95008b912e69fc66883dcde86783ecf9e21124cf SHA256 6ab30b5d13632cf3ad8312e163403cffc8d2af6084053296bf83af6bff77486e
diff --git a/sci-chemistry/gromacs/gromacs-3.3.3.ebuild b/sci-chemistry/gromacs/gromacs-3.3.3.ebuild
index 7459905..4672c80 100644
--- a/sci-chemistry/gromacs/gromacs-3.3.3.ebuild
+++ b/sci-chemistry/gromacs/gromacs-3.3.3.ebuild
@@ -1,8 +1,8 @@
 # Copyright 1999-2008 Gentoo Foundation
 # Distributed under the terms of the GNU General Public License v2
 # $Header: $
-
-inherit eutils flag-o-matic fortran multilib
+LIBTOOLIZE="true"
+inherit autotools eutils flag-o-matic fortran multilib
 
 DESCRIPTION="The ultimate molecular dynamics simulation package"
 HOMEPAGE="http://www.gromacs.org/"
@@ -11,14 +11,13 @@ SRC_URI="ftp://ftp.gromacs.org/pub/${PN}/${P}.tar.gz"
 LICENSE="GPL-2"
 SLOT="0"
 KEYWORDS="~alpha ~amd64 ~ppc64 ~sparc ~x86"
-IUSE="3dnow X altivec blas double-precision lapack mpi +single-precision sse sse2 static xml"
+IUSE="3dnow X altivec blas double-precision gsl lapack mpi +single-precision sse sse2 static xml"
 
 # mopac7 qm/mm is broken until we can get files from
 # http://md.chem.rug.nl/~groenhof/qmmm.html
 # or somewhere else...
 
 DEPEND=">=sci-libs/fftw-3.0.1
-	mpi? ( virtual/mpi )
 	app-shells/tcsh
 	X? ( x11-libs/libX11
 		x11-libs/libXt
@@ -27,7 +26,9 @@ DEPEND=">=sci-libs/fftw-3.0.1
 		x11-proto/xproto
 		virtual/motif )
 	blas? ( virtual/blas )
+	gsl? ( sci-libs/gsl )
 	lapack? ( virtual/lapack )
+	mpi? ( virtual/mpi )
 	xml? ( dev-libs/libxml2 )"
 
 FORTRAN="g77 gfortran ifc"
@@ -50,17 +51,26 @@ src_unpack() {
 	|| die "sed tools/Makefile.am failed"
 
 	sed "/libdir=\"\$(libdir)\"/ a\ temp_libdir=\"${D}usr/$( get_libdir )\" ; \\\\" \
-	-i src/tools/Makefile.in \
-	|| die "sed tools/Makefile.in failed"
+	-i src/tools/Makefile.am \
+	|| die "sed tools/Makefile.am failed"
 
 	sed -e "s:\$\$libdir:\$\$temp_libdir:" \
-	-i src/tools/Makefile.in \
-	|| die "sed tools/Makefile.in failed"
+	-i src/tools/Makefile.am \
+	|| die "sed tools/Makefile.am failed"
+
+	# Rename disco manpage to fix bug #210083.
+	sed "s:disco.1:g_disco.1:" \
+	-i "${S}"/man/man1/Makefile.am \
+	|| die "sed failed to rename disco"
+
+	mv "${S}"/man/man1/disco.1 "${S}"/man/man1/g_disco.1
+
+	eautoreconf
 
 	cd "${WORKDIR}"
-	if ( use double-precision && use single-precision ) ; then
+	mv "${P}" "${P}-single"
+	if ( use double-precision ) ; then
 		einfo "Moving sources for Multiprecision Build"
-		mv "${P}" "${P}-single"
 		cp -prP "${P}-single" "${P}-double"
 	fi
 }
@@ -139,10 +149,10 @@ src_compile() {
 	esac
 
 	# if we need external blas
-#	if use blas; then
-#		export LIBS="${LIBS} -lblas"
-#		myconf="${myconf} $(use_with blas external-blas)"
-#	fi
+	if use blas; then
+		export LIBS="${LIBS} -lblas"
+		myconf="${myconf} $(use_with blas external-blas)"
+	fi
 
 	# if we need external lapack
 	if use lapack; then
@@ -154,6 +164,7 @@ src_compile() {
 			--bindir=/usr/bin \
 			--libdir=/usr/$(get_libdir) \
 			--with-fft=fftw3 \
+			$(use_with gsl) \
 			$(use_enable mpi) \
 			$(use_with X x) \
 			$(use_with xml) \
@@ -173,8 +184,8 @@ src_compile() {
 		econf ${myconf} || die "Double Precision econf failed"
 		emake || die "Double Precision emake failed"
 	else
-		einfo "Building..."
-		cd "${WORKDIR}"/"${P}"
+		einfo "Building Single Precison Gromacs"
+		cd "${WORKDIR}"/"${P}"-single
 		myconf="${myconf} $(use_enable double-precision double) \
 				$(use_enable single-precision float)"
 		econf ${myconf} || die "configure failed"
@@ -183,13 +194,16 @@ src_compile() {
 }
 
 src_install() {
-	if ( use double-precision && use single-precision ); then
+	if ( use single-precision ); then
 		einfo "Installing Single Precision"
 		cd "${WORKDIR}"/"${P}"-single
-		make DESTDIR="${D}" install || die "Installing Single Precision failed"
-		einfo "Installing Double Precision"
+		emake DESTDIR="${D}" install || die "Installing Single Precision failed"
+	fi
+
+	if ( use double-precision ) ; then
+	einfo "Installing Double Precision"
 		cd "${WORKDIR}"/"${P}"-double
-		make DESTDIR="${D}" install || die "Installing Double Precision failed"
+		emake DESTDIR="${D}" install || die "Installing Double Precision failed"
 	fi
 
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