1 files changed, 125 insertions, 0 deletions
diff --git a/sci-libs/bigdft/bigdft-1.6_pre0.ebuild b/sci-libs/bigdft/bigdft-1.6_pre0.ebuild
new file mode 100644
index 000000000..f15fa237a
--- /dev/null
+++ b/sci-libs/bigdft/bigdft-1.6_pre0.ebuild
@@ -0,0 +1,125 @@
+# Copyright 1999-2012 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="4"
+
+inherit autotools-utils flag-o-matic fortran-2 toolchain-funcs
+
+DESCRIPTION="A DFT electronic structure code using a wavelet basis set"
+HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/"
+
+REAL_P="${P/_pre/-tuto.}"
+REAL_P="${REAL_P/-tuto.0/-tuto}"
+S="${WORKDIR}/${REAL_P}"
+
+SRC_URI="
+	http://inac.cea.fr/L_Sim/BigDFT/${REAL_P}.tar.gz
+	"
+
+LICENSE="GPL-3"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="cuda doc etsf_io mpi netcdf opencl test"
+
+RDEPEND="
+	=sci-libs/libxc-1*[fortran]
+	virtual/blas
+	virtual/fortran
+	virtual/lapack
+	mpi? ( virtual/mpi )
+	cuda? ( dev-util/nvidia-cuda-sdk )
+	opencl? (
+		|| (
+			dev-util/nvidia-cuda-sdk
+			dev-util/amdstream
+			)
+		)
+	etsf_io? ( sci-libs/etsf_io )
+	netcdf? (
+		sci-libs/netcdf[fortran]
+		)
+	"
+DEPEND="${RDEPEND}
+	dev-util/pkgconfig
+	>=sys-devel/autoconf-2.59
+	doc? ( virtual/latex-base )"
+
+DOCS=( README INSTALL ChangeLog AUTHORS NEWS )
+
+FORTRAN_STANDARD=90
+
+pkg_setup() {
+	# fortran-2.eclass does not handle mpi wrappers
+	if use mpi; then
+		export FC="mpif90"
+		export F77="mpif77"
+		export CC="mpicc"
+	else
+		tc-export FC F77 CC
+	fi
+
+	fortran-2_pkg_setup
+}
+
+src_prepare() {
+	epatch "${FILESDIR}"/"${REAL_P}"-libxc_dir_include.patch
+	epatch "${FILESDIR}"/"${REAL_P}"-bigdft.pc.patch
+	eautoreconf
+}
+
+src_configure() {
+	local modules="/usr/$(get_libdir)/finclude"
+	local netcdff_libs="-lnetcdff"
+	filter-flags '-m*' '-O*' "-pipe"
+	local nvcflags="${CFLAGS}"
+#	_filter-var nvcflags '-m*' '-O*' "-pipe"
+	local myeconfargs=(
+		$(use_enable mpi)
+		--enable-optimised-convolution
+		--enable-pseudo
+		--enable-libbigdft
+		--enable-binaries
+		--disable-minima-hopping
+		--with-moduledir="${modules}"
+		--with-ext-linalg="$(pkg-config --libs-only-l lapack) \
+			$(pkg-config --libs-only-l blas)"
+		--with-ext-linalg-path="$(pkg-config --libs-only-L lapack) \
+			$(pkg-config --libs-only-L blas)"
+		--disable-internal-libxc
+		--with-libxc-path="/usr"
+		--with-libxc-include="${modules}"
+		$(use_enable cuda cuda-gpu)
+		$(use_with cuda cuda-path /opt/cuda)
+		$(use_with cuda nvcc-flags "${nvcflags}")
+		$(use_enable opencl)
+		$(use_with opencl ocl-path /usr)
+		$(use_with etsf_io etsf-io)
+		$(use_with etsf_io etsf-io-path "/usr")
+		$(use_with etsf_io netcdf-path "$(pkg-config --libs-only-L netcdf)")
+		"$(use etsf_io && echo "--with-netcdf-libs=$(pkg-config --libs netcdf) ${netcdff_libs}")"
+		FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} -I${modules}"
+		LD="$(tc-getLD)"
+		CPP="$(tc-getCPP)"
+		)
+	autotools-utils_src_configure
+}
+
+src_compile() {
+	#autotools-utils_src_compile() expanded
+	_check_build_dir
+	pushd "${AUTOTOOLS_BUILD_DIR}" > /dev/null
+	emake -j1 || die 'emake failed'
+	sed -i -e's%\$(top_builddir)/src/lib\([^ /$-]*\)\.a%-l\1%g' bigdft.pc
+	popd > /dev/null
+
+	use doc && autotools-utils_src_compile doc
+}
+
+src_test() {
+	use test && autotools-utils_src_test
+}
+
+src_install() {
+	autotools-utils_src_install HAVE_LIBXC=1
+}