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# Copyright 1999-2014 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: $
EAPI=5
inherit cmake-utils db-use toolchain-funcs
DESCRIPTION="Molecular Dynamics Spectral Clustering Toolkit"
HOMEPAGE="https://github.com/douradopalmares/mdsctk"
SRC_URI="https://github.com/douradopalmares/${PN}/archive/${PV}.tar.gz -> ${P}.tar.gz"
LICENSE="GPL-2"
SLOT="0"
KEYWORDS="~amd64 ~amd64-linux"
IUSE="examples R"
DEPEND="
=sci-chemistry/gromacs-4.6*:=
sci-libs/gsl
sys-libs/db[cxx]
virtual/blas
virtual/lapack
sci-libs/arpack
R? ( dev-lang/R )
"
RDEPEND="${DEPEND}"
src_configure() {
echo 'include_directories(${DB_CXX_INCLUDE_PATH})' >> CMakeLists.txt
local mycmakeargs=( -DDB_CXX_INCLUDE_PATH="$(db_includedir)" )
cmake-utils_src_configure
}
src_install() {
dodoc AUTHORS README.md
use R && dobin clustering_nmi.r clustering_pdf.r density.r entropy.r kmeans.r mdsctk.r plot_pdf.r \
probability.r
insinto /usr/share/"${PN}"/examples
use examples && doins -r examples
cd "${BUILD_DIR}" || die
dobin auto_decomp_sparse auto_decomp_sparse_nystrom bb_xtc_to_phipsi check_xtc decomp_sparse decomp_sparse_nystrom \
knn_data knn_rms make_sysparse make_gesparse phipsi_to_sincos rms_test split_xtc
}
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