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# Copyright 1999-2020 Gentoo Authors
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# Distributed under the terms of the GNU General Public License v2
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EAPI=7
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WX_GTK_VER="3.0"
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inherit cmake-utils desktop optfeature toolchain-funcs wxwidgets
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DESCRIPTION="Interconverts file formats used in molecular modeling"
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HOMEPAGE="http://openbabel.org/wiki/Main_Page"
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SRC_URI="
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mirror://sourceforge/openbabel/${P}.tar.gz
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https://openbabel.org/docs/dev/_static/babel130.png -> ${PN}.png
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"
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# See src/CMakeLists.txt for LIBRARY_VERSION
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SLOT="0/5.0.0"
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LICENSE="GPL-2"
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KEYWORDS="amd64 ~arm x86 ~amd64-linux ~x86-linux ~ppc-macos"
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IUSE="doc openmp test wxwidgets"
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RESTRICT="!test? ( test )"
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RDEPEND="
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dev-cpp/eigen:3
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dev-libs/libxml2:2
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sci-libs/inchi
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sys-libs/zlib
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wxwidgets? ( x11-libs/wxGTK:${WX_GTK_VER}[X] )
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"
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DEPEND="${RDEPEND}"
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BDEPEND="
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>=dev-util/cmake-2.4.8
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doc? ( app-doc/doxygen )
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"
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DOCS=( AUTHORS NEWS.md README.md THANKS doc/dioxin.{inc,mol2} doc/README.{dioxin.pov,povray} )
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PATCHES=(
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"${FILESDIR}"/${PN}-2.3.2-gcc-6_and_7-backport.patch
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"${FILESDIR}"/${P}-gcc-8.patch
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)
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pkg_setup() {
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if use openmp; then
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if [[ $(tc-getCC) == *gcc ]] && ! tc-has-openmp; then
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ewarn "OpenMP is not available in your current selected gcc"
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die "need openmp capable gcc"
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fi
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FORTRAN_NEED_OPENMP=1
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fi
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}
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src_prepare() {
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sed \
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-e '/__GNUC__/s:== 4:>= 4:g' \
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-i include/openbabel/shared_ptr.h || die
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cmake-utils_src_prepare
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}
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src_configure() {
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use wxwidgets && setup-wxwidgets
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local mycmakeargs=(
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-DOPENBABEL_USE_SYSTEM_INCHI=ON
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-DENABLE_OPENMP=$(usex openmp)
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-DBUILD_GUI=$(usex wxwidgets)
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)
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cmake-utils_src_configure
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}
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src_install() {
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docinto html
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dodoc doc/{*.html,*.png}
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if use doc ; then
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docinto html/API
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dodoc -r doc/API/html/*
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fi
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make_desktop_entry obgui "Open Babel" "${PN}"
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doicon "${DISTDIR}/${PN}.png"
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cmake-utils_src_install
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}
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src_test() {
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local mycmakeargs=(
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-DOPENBABEL_USE_SYSTEM_INCHI=ON
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-DPYTHON_EXECUTABLE=false
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-DOPENMP=$(usex openmp)
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-DBUILD_GUI=$(usex wxwidgets)
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-DTESTS=$(usex test)
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)
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cmake-utils_src_configure
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cmake-utils_src_compile
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cmake-utils_src_test -E py
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}
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pkg_postinst() {
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optfeature "perl support" sci-chemistry/openbabel-perl
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optfeature "python support" sci-chemistry/openbabel-python
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}
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