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# Copyright 1999-2015 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Id$
EAPI=5
PYTHON_COMPAT=( python2_7 )
inherit autotools-utils eutils flag-o-matic fortran-2 python-any-r1 toolchain-funcs
DESCRIPTION="A DFT electronic structure code using a wavelet basis set"
HOMEPAGE="http://bigdft.org/"
SRC_URI="http://launchpad.net/${PN}/${PV%.*}/${PV}/+download/${P}.tar.xz"
LICENSE="GPL-3"
SLOT="0"
KEYWORDS="~amd64 ~x86 ~amd64-linux"
IUSE="cuda doc etsf_io glib mpi netcdf openmp opencl scalapack test"
RDEPEND="
( >=sci-libs/libxc-2.0[fortran]
<sci-libs/libxc-2.2 )
virtual/blas
virtual/fortran
virtual/lapack
dev-libs/libyaml
mpi? ( virtual/mpi )
cuda? ( dev-util/nvidia-cuda-sdk )
opencl? ( virtual/opencl )
glib? ( >=dev-libs/glib-2.22 )
etsf_io? ( >=sci-libs/etsf_io-1.0.4[pic] )
netcdf? ( || (
sci-libs/netcdf[fortran]
sci-libs/netcdf-fortran
)
)
scalapack? ( virtual/scalapack )"
DEPEND="${RDEPEND}
virtual/pkgconfig
>=sys-devel/autoconf-2.59
doc? ( virtual/latex-base )
${PYTHON_DEPS}
dev-python/pyyaml[libyaml]
dev-util/gdbus-codegen
app-arch/tar
app-arch/gzip"
DOCS=( README INSTALL ChangeLog AUTHORS NEWS )
FORTRAN_STANDARD=90
pkg_setup() {
# fortran-2.eclass does not handle mpi wrappers
if use mpi; then
export FC="mpif90"
export F77="mpif77"
export CC="mpicc"
export CXX="mpic++"
else
tc-export FC F77 CC CXX
fi
use openmp && FORTRAN_NEED_OPENMP=1
fortran-2_pkg_setup
if use openmp; then
# based on _fortran-has-openmp() of fortran-2.eclass
local openmp=""
local fcode=ebuild-openmp-flags.f
local _fc=$(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
python-any-r1_pkg_setup
}
src_prepare() {
epatch \
"${FILESDIR}"/"${PN}"-1.7.1-pkgconfig.patch \
"${FILESDIR}"/"${PN}"-1.7.5-dynamic_memory.patch
eautoreconf
}
src_configure() {
local modules="${EPREFIX}/usr/include"
local netcdff_libs="-lnetcdff"
filter-flags '-m*' '-O*' "-pipe"
local nvcflags="${CFLAGS}"
_filter-var nvcflags '-m*' '-O*' "-pipe" "-W*"
use cuda && filter-ldflags '-m*' '-O*' "-pipe" "-W*"
local mylapack="lapack"
use scalapack && mylapack="scalapack"
local myeconfargs=(
$(use_enable mpi)
--enable-optimised-convolution
--enable-pseudo
--enable-libbigdft
--enable-binaries
--disable-bindings
--disable-minima-hopping
--disable-internal-libyaml
--enable-internal-libabinit
--with-moduledir="${modules}"
--with-ext-linalg="$($(tc-getPKG_CONFIG) --libs-only-l "${mylapack}")"
--with-ext-linalg-path="$($(tc-getPKG_CONFIG) --libs-only-L "${mylapack}")"
--with-libxc="yes"
--disable-internal-libxc
$(use_enable cuda cuda-gpu)
$(use_with cuda cuda-path /opt/cuda)
$(use_with cuda nvcc-flags "${nvcflags}")
$(use_enable opencl)
$(use_with etsf_io etsf-io)
"$(use etsf_io && echo "--with-netcdf-libs=$($(tc-getPKG_CONFIG) --libs netcdf) ${netcdff_libs}")"
$(use_with glib gobject)
$(use_with scalapack)
$(use_with scalapack scalapack-path "${EPREFIX}/usr/$(get_libdir)")
$(use_with scalapack blacs)
$(use_with scalapack blacs-path "${EPREFIX}/usr/$(get_libdir)")
PKG_CONFIG="$(tc-getPKG_CONFIG)"
FCFLAGS="${FCFLAGS} -I${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
sed -i -e's%\$(top_builddir)/[^ ]*/lib\([^ /$-]*\)\.a%-l\1%g' bigdft.pc
popd > /dev/null
#autotools-utils_src_compile
if use doc; then
VARTEXFONTS="${T}/fonts"
autotools-utils_src_compile doc
fi
}
src_test() {
if use test; then
#autotools-utils_src_test() expanded
_check_build_dir
pushd "${BUILD_DIR}" > /dev/null || die
# Run default src_test as defined in ebuild.sh
cd tests
emake -j1 check
popd > /dev/null
fi
}
src_install() {
autotools-utils_src_install
}
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