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# Copyright 1999-2019 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
WX_GTK_VER="3.0"
inherit cmake-utils desktop eutils wxwidgets
DESCRIPTION="Interconverts file formats used in molecular modeling"
HOMEPAGE="http://openbabel.org/wiki/Main_Page"
SRC_URI="
mirror://sourceforge/openbabel/${P}.tar.gz
https://openbabel.org/docs/dev/_static/babel130.png -> ${PN}.png
"
# See src/CMakeLists.txt for LIBRARY_VERSION
SLOT="0/5.0.0"
LICENSE="GPL-2"
KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos"
IUSE="doc openmp test wxwidgets"
RESTRICT="!test? ( test )"
RDEPEND="
dev-cpp/eigen:3
dev-libs/libxml2:2
sci-libs/inchi
sys-libs/zlib
wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}[X] )
"
DEPEND="${RDEPEND}"
BDEPEND="
>=dev-util/cmake-2.4.8
doc? ( app-doc/doxygen )
"
DOCS=( AUTHORS NEWS.md README.md THANKS doc/dioxin.{inc,mol2} doc/README.{dioxin.pov,povray} )
PATCHES=(
"${FILESDIR}"/${PN}-2.3.2-gcc-6_and_7-backport.patch
"${FILESDIR}"/${P}-gcc-8.patch
)
pkg_setup() {
if use openmp; then
if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
ewarn "OpenMP is not available in your current selected gcc"
die "need openmp capable gcc"
fi
FORTRAN_NEED_OPENMP=1
fi
}
src_prepare() {
sed \
-e '/__GNUC__/s:== 4:>= 4:g' \
-i include/openbabel/shared_ptr.h || die
cmake-utils_src_prepare
}
src_configure() {
use wxwidgets && setup-wxwidgets
local mycmakeargs=(
-DOPENBABEL_USE_SYSTEM_INCHI=ON
-DENABLE_OPENMP=$(usex openmp)
-DBUILD_GUI=$(usex wxwidgets)
)
cmake-utils_src_configure
}
src_install() {
docinto html
dodoc doc/{*.html,*.png}
if use doc ; then
docinto html/API
dodoc -r doc/API/html/*
fi
make_desktop_entry obgui "Open Babel" "${PN}"
doicon "${DISTDIR}/${PN}.png"
cmake-utils_src_install
}
src_test() {
local mycmakeargs=(
-DOPENBABEL_USE_SYSTEM_INCHI=ON
-DPYTHON_EXECUTABLE=false
-DOPENMP=$(usex openmp)
-DBUILD_GUI=$(usex wxwidgets)
-DTESTS=$(usex test)
)
cmake-utils_src_configure
cmake-utils_src_compile
cmake-utils_src_test -E py
}
pkg_postinst() {
optfeature "perl support" sci-chemistry/openbabel-perl
optfeature "python support" sci-chemistry/openbabel-python
}
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