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# Copyright 1999-2021 Gentoo Authors
# Distributed under the terms of the GNU General Public License v2
EAPI=7
PYTHON_COMPAT=( python3_{7..9} )
inherit cmake python-r1
DESCRIPTION="Cheminformatics and machine-learning software written in C++ and Python"
HOMEPAGE="http://www.rdkit.org/"
SRC_URI="
https://github.com/rdkit/rdkit/archive/Release_${PV//./_}.tar.gz -> ${P}.tar.gz
https://github.com/schrodinger/maeparser/archive/v1.2.3.tar.gz -> maeparser-1.2.3.tar.gz
https://github.com/schrodinger/coordgenlibs/archive/v1.4.0.tar.gz -> coordgenlibs-1.4.0.tar.gz
https://github.com/Tencent/rapidjson/archive/v1.1.0.tar.gz -> rapidjson-1.1.0.tar.gz
"
# issues with bundled packages; dev-libs/rapidjson, at least, should be unbundled:
# https://github.com/rdkit/rdkit/issues/3443
LICENSE="BSD"
SLOT="0"
KEYWORDS=""
# build configuration issues https://github.com/rdkit/rdkit/issues/3444
IUSE="+python -static-libs"
REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
RDEPEND="dev-libs/boost
python? (
dev-libs/boost[python,${PYTHON_USEDEP}]
dev-python/numpy[${PYTHON_USEDEP}]
${PYTHON_DEPS}
)
>=dev-db/sqlite-3"
DEPEND="${RDEPEND}"
S="${WORKDIR}"/rdkit-Release_${PV//./_}
PATCHES=( "${FILESDIR}"/${P}-no_dynamic_checking.patch )
src_prepare() {
cp ../maeparser-* -rf External/CoordGen/ || die
cp ../coordgenlibs-* -rf External/CoordGen/ || die
cp ../rapidjson-* -rf External/ || die
cmake_src_prepare
}
src_configure() {
local mycmakeargs=(
-DCMAKE_INSTALL_PREFIX:PATH="${EPREFIX}"/usr
-DRDK_INSTALL_INTREE=0
-DRDK_BUILD_CPP_TESTS=OFF
-DRDK_INSTALL_STATIC_LIBS="$(usex static-libs)"
-DRDK_BUILD_PYTHON_WRAPPERS="$(usex python)"
)
cmake_src_configure
}
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