[gentoo-commits] proj/sci:master commit in: sci-chemistry/nwchem/

["Justin Lecher" <jlec@gentoo.org>]

commit:     5a271b3db8d5d033b9e3a725cca02d5bfa2fa42f
Author:     Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Sun Jun 16 14:29:57 2013 +0000
Commit:     Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Sun Jun 16 14:29:57 2013 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=5a271b3d

sci-chemistry/nwchem: Drop old; drop virtual/fortran as the eclass depends on it

Package-Manager: portage-2.2.0_alpha180

---
 sci-chemistry/nwchem/ChangeLog           |   4 +
 sci-chemistry/nwchem/nwchem-6.1.1.ebuild | 126 -------------------------------
 sci-chemistry/nwchem/nwchem-6.3.ebuild   |  10 ++-
 3 files changed, 10 insertions(+), 130 deletions(-)

diff --git a/sci-chemistry/nwchem/ChangeLog b/sci-chemistry/nwchem/ChangeLog
index a93271c..01bbf79 100644
--- a/sci-chemistry/nwchem/ChangeLog
+++ b/sci-chemistry/nwchem/ChangeLog
@@ -2,6 +2,10 @@
 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+  16 Jun 2013; Justin Lecher <jlec@gentoo.org> -nwchem-6.1.1.ebuild,
+  nwchem-6.3.ebuild:
+  Drop old; drop virtual/fortran as the eclass depends on it
+
   04 Jun 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.3.ebuild:
   Fix for correct usage of new python eclasses
 

diff --git a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild b/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
deleted file mode 100644
index a019608..0000000
--- a/sci-chemistry/nwchem/nwchem-6.1.1.ebuild
+++ /dev/null
@@ -1,126 +0,0 @@
-# Copyright 1999-2013 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-# $Header: $
-
-EAPI=5
-
-inherit eutils fortran-2 multilib python toolchain-funcs
-
-DATE="2012-06-27"
-
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
-HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
-SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~x86 ~amd64"
-IUSE="mpi examples nwchem-tests python"
-
-RDEPEND="sys-fs/sysfsutils"
-DEPEND="${RDEPEND}
-	virtual/fortran
-	mpi? ( virtual/mpi[fortran] )"
-
-S="${WORKDIR}/${P}-src"
-
-pkg_setup() {
-	fortran-2_pkg_setup
-	use python && python_set_active_version 2 &&  python_pkg_setup
-}
-
-src_prepare() {
-	epatch \
-		"${FILESDIR}"/nwchem-${PV}-makefile.patch \
-		"${FILESDIR}"/nwchem-${PV}-nwchemrc.patch \
-		"${FILESDIR}"/nwchem-${PV}-adjust-dir-length.patch
-	use python && "${FILESDIR}"/nwchem-${PV}-python_makefile.patch
-
-	sed \
-		-e "s:DBASIS_LIBRARY=\"'\$(SRCDIR)'\":DBASIS_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/basis/MakeFile src/basis/GNUmakefile || die
-	sed \
-		-e "s:DNWPW_LIBRARY=\"'\$(SRCDIR)'\":DNWPW_LIBRARY=\"'${EPREFIX}/usr/share/NWChem'\":g" \
-		-i src/nwpw/libraryps/GNUmakefile || die
-	sed \
-		-e "s:-DCOMPILATION_DIR=\"'\$(TOPDIR)'\":-DCOMPILATION_DIR=\"''\":g" \
-		-i src/GNUmakefile src/MakeFile || die
-
-	if [[ $(tc-getFC) == *-*-*-*-gfortran ]]; then
-		sed \
-			-e "s:ifneq (\$(FC),gfortran):ifneq (\$(FC),$(tc-getFC)):g" \
-			-e "s:ifeq (\$(FC),gfortran):ifeq (\$(FC),$(tc-getFC)):g" \
-			-i src/config/makefile.h || die
-	fi
-}
-
-src_compile() {
-	export USE_SUBGROUPS=yes
-	if use mpi ; then
-		export MSG_COMMS=MPI
-		export USE_MPI=yes
-		export MPI_LOC=/usr
-		export MPI_INCLUDE=$MPI_LOC/include
-		export MPI_LIB=$MPI_LOC/$(get_libdir)
-		export LIBMPI="$(mpif90 -showme:link)"
-	fi
-	if [ "$ARCH" = "amd64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "ia64" ]; then
-		export NWCHEM_TARGET=LINUX64
-	elif [ "$ARCH" = "x86" ]; then
-		export NWCHEM_TARGET=LINUX
-	elif [ "$ARCH" = "ppc" ]; then
-		export NWCHEM_TARGET=LINUX
-	else
-		die "Unknown architecture"
-	fi
-	if use python ; then
-		if [ "$ARCH" = "amd64" ] || [ "$ARCH" = "ia64" ]; then
-			export USE_PYTHON64=yes
-		fi
-		export PYTHONHOME=/usr
-		export PYTHONVERSION=$(eselect python show|awk -Fpython '{ print $2 }')
-		export PYTHONPATH="./:${S}/contrib/python/"
-		export NWCHEM_MODULES="all python"
-	else
-		export NWCHEM_MODULES="all"
-	fi
-
-	cd src
-	emake \
-		DIAG=PAR \
-		FC=$(tc-getFC) \
-		CC=$(tc-getCC) \
-		CXX=$(tc-getCXX) \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-}
-
-src_install() {
-	dobin bin/${NWCHEM_TARGET}/nwchem
-
-	insinto /usr/share/NWChem/basis/
-	doins -r src/basis/libraries src/data
-	insinto /usr/share/NWChem/nwpw
-	doins -r src/nwpw/libraryps
-
-	insinto /etc
-	doins nwchemrc
-
-	use examples && \
-		insinto /usr/share/NWChem/ && \
-		doins -r examples
-
-	use nwchem-tests \
-		insinto /usr/share/NWChem \
-		doins -r QA/tests
-}
-
-pkg_postinst() {
-	echo
-	elog "The user will need to link \$HOME/.nwchemrc to /etc/nwchemrc"
-	elog "or copy it in order to tell NWChem the right position of the"
-	elog "basis library and other necessary data."
-	echo
-}

diff --git a/sci-chemistry/nwchem/nwchem-6.3.ebuild b/sci-chemistry/nwchem/nwchem-6.3.ebuild
index 69748f2..4395d15 100644
--- a/sci-chemistry/nwchem/nwchem-6.3.ebuild
+++ b/sci-chemistry/nwchem/nwchem-6.3.ebuild
@@ -5,11 +5,12 @@
 EAPI=5
 
 PYTHON_COMPAT=( python{2_6,2_7} )
+
 inherit eutils fortran-2 multilib python-single-r1 toolchain-funcs
 
 DATE="2013-05-17"
 
-DESCRIPTION="NWChem: Delivering High-Performance Computational Chemistry to Science"
+DESCRIPTION="Delivering High-Performance Computational Chemistry to Science"
 HOMEPAGE="http://www.nwchem-sw.org/index.php/Main_Page"
 SRC_URI="http://www.nwchem-sw.org/images/Nwchem-${PV}-src.${DATE}.tar.gz"
 
@@ -20,13 +21,14 @@ IUSE="mpi doc examples nwchem-tests python"
 
 REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
 
-RDEPEND="sys-fs/sysfsutils
+RDEPEND="
+	sys-fs/sysfsutils
 	python? ( ${PYTHON_DEPS} )"
 DEPEND="${RDEPEND}
-	virtual/fortran
 	app-shells/tcsh
 	mpi? ( virtual/mpi[fortran] )
-	doc? ( dev-texlive/texlive-latex
+	doc? (
+		dev-texlive/texlive-latex
 		dev-tex/latex2html )"
 
 S="${WORKDIR}/${P}-src.${DATE}"