1 files changed, 0 insertions, 206 deletions
diff --git a/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild b/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild
deleted file mode 100644
index 980b6f392..000000000
--- a/sci-chemistry/nwchem/nwchem-6.3_p2-r1.ebuild
+++ /dev/null
@@ -1,206 +0,0 @@
-# Copyright 1999-2014 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit eutils flag-o-matic fortran-2 multilib python-single-r1 toolchain-funcs
-
-DATE="2013-10-17"
-
-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-${PV%_p*}.revision${PV#*_p}-src.${DATE}.tar.gz"
-
-LICENSE="ECL-2.0"
-SLOT="0"
-KEYWORDS="~amd64 ~x86"
-IUSE="blas mpi doc examples nwchem-tests openmp mrcc python"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-RDEPEND="
-	sys-fs/sysfsutils
-	python? ( ${PYTHON_DEPS} )"
-DEPEND="${RDEPEND}
-	app-shells/tcsh
-	mpi? ( virtual/mpi[fortran] )
-	doc? (
-		dev-texlive/texlive-latex
-		dev-tex/latex2html )"
-
-LONG_S="${WORKDIR}/${PN}-${PV%_p*}.revision${PV#*_p}-src.${DATE}"
-S="${WORKDIR}/${PN}"
-
-pkg_setup() {
-	# fortran-2.eclass does not handle mpi wrappers
-	if use mpi; then
-		export FC="mpif90"
-		export F77="mpif77"
-		export CC="mpicc"
-		export CXX="mpic++"
-	else
-		tc-export FC F77 CC CXX
-	fi
-
-	use openmp && FORTRAN_NEED_OPENMP=1
-
-	fortran-2_pkg_setup
-
-	if use openmp; then
-		# based on _fortran-has-openmp() of fortran-2.eclass
-		local openmp=""
-		local fcode=ebuild-openmp-flags.f
-		local _fc=$(tc-getFC)
-
-		pushd "${T}"
-		cat <<- EOF > "${fcode}"
-		1     call omp_get_num_threads
-		2     end
-		EOF
-
-		for openmp in -fopenmp -xopenmp -openmp -mp -omp -qsmp=omp; do
-			"${_fc}" "${openmp}" "${fcode}" -o "${fcode}.x" && break
-		done
-
-		rm -f "${fcode}.*"
-		popd
-
-		append-flags "${openmp}"
-	fi
-
-	use python && python-single-r1_pkg_setup
-}
-
-src_unpack() {
-	unpack ${A}
-	mv "${LONG_S}" "${S}"
-}
-
-src_prepare() {
-	epatch \
-		"${FILESDIR}"/nwchem-6.1.1-makefile.patch \
-		"${FILESDIR}"/nwchem-6.1.1-nwchemrc.patch \
-		"${FILESDIR}"/nwchem-6.1.1-adjust-dir-length.patch
-	use python && epatch "${FILESDIR}"/nwchem-6.1.1-python_makefile.patch
-	use doc && epatch "${FILESDIR}"/nwchem-6.3-r1-html_doc.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),$(tc-getFC)):g" \
-			-i src/config/makefile.h || die
-	fi
-}
-
-src_compile() {
-	export USE_SUBGROUPS=yes
-	if use mpi ; then
-		export MSG_COMMS=MPI
-		export USE_MPI=y
-		export USE_MPIF=y
-		export MPI_LOC="${EPREFIX}"/usr
-		export MPI_INCLUDE=$MPI_LOC/include
-		export MPI_LIB=$MPI_LOC/$(get_libdir)
-		export LIBMPI="$(mpif90 -showme:link)"
-	else
-		unset USE_MPI
-		unset USE_MPIF
-		export MSG_COMMS=TCGMSG
-		export ARMCI_NETWORK=SOCKETS
-	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 --python2 |awk -Fpython '{ print $2 }')
-		export PYTHONPATH="./:${S}/contrib/python/"
-		export NWCHEM_MODULES="all python"
-	else
-		export NWCHEM_MODULES="all"
-	fi
-	use mrcc && export MRCC_THEORY="TRUE"
-	if use blas; then
-		export HAS_BLAS=yes
-		export BLASOPT="$(pkg-config --libs blas)"
-	else
-		unset HAS_BLAS
-		unset BLASOPT
-	fi
-	export LARGE_FILES="TRUE"
-
-	cd src
-	emake \
-		DIAG=PAR \
-		FC=$(tc-getFC) \
-		CC=$(tc-getCC) \
-		CXX=$(tc-getCXX) \
-		NWCHEM_TOP="${S}" \
-		NWCHEM_EXECUTABLE="${S}/bin/${NWCHEM_TARGET}/nwchem"
-
-	if use doc; then
-		cd "${S}"/doc
-		export VARTEXFONTS="${T}/fonts"
-		emake \
-			DIAG=PAR \
-			NWCHEM_TOP="${S}" \
-			pdf html
-	fi
-}
-
-src_install() {
-	dobin bin/${NWCHEM_TARGET}/nwchem
-
-	insinto /usr/share/NWChem/basis/
-	doins -r src/basis/libraries src/data
-	insinto /usr/share/NWChem/nwpw
-	doins -r src/nwpw/libraryps
-
-	insinto /etc
-	doins nwchemrc
-
-	use examples && \
-		insinto /usr/share/NWChem/ && \
-		doins -r examples
-
-	use nwchem-tests && \
-		insinto /usr/share/NWChem && \
-		doins -r QA/tests
-
-	use doc && \
-		insinto /usr/share/doc/"${P}" && \
-		doins -r doc/nwahtml && \
-		doins -r web
-
-}
-
-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
-}