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From: "Pacho Ramos" <pacho@gentoo.org>
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Message-ID: <1569756401.23e15c4c2d4ef0352a77c96a7aca963cd621372d.pacho@gentoo>
Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/openbabel/
X-VCS-Repository: repo/gentoo
X-VCS-Files: sci-chemistry/openbabel/Manifest sci-chemistry/openbabel/openbabel-2.4.1-r1.ebuild
X-VCS-Directories: sci-chemistry/openbabel/
X-VCS-Committer: pacho
X-VCS-Committer-Name: Pacho Ramos
X-VCS-Revision: 23e15c4c2d4ef0352a77c96a7aca963cd621372d
X-VCS-Branch: master
Date: Sun, 29 Sep 2019 11:26:48 +0000 (UTC)
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commit: 23e15c4c2d4ef0352a77c96a7aca963cd621372d
Author: Pacho Ramos <pacho <AT> gentoo <DOT> org>
AuthorDate: Sun Sep 29 11:26:27 2019 +0000
Commit: Pacho Ramos <pacho <AT> gentoo <DOT> org>
CommitDate: Sun Sep 29 11:26:41 2019 +0000
URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=23e15c4c
sci-chemistry/openbabel: Fix openmp support, add a desktop file.
Closes: https://bugs.gentoo.org/659148
Package-Manager: Portage-2.3.76, Repoman-2.3.17
Signed-off-by: Pacho Ramos <pacho <AT> gentoo.org>
sci-chemistry/openbabel/Manifest | 1 +
sci-chemistry/openbabel/openbabel-2.4.1-r1.ebuild | 101 ++++++++++++++++++++++
2 files changed, 102 insertions(+)
diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
index ac268758e8c..b22751d4a86 100644
--- a/sci-chemistry/openbabel/Manifest
+++ b/sci-chemistry/openbabel/Manifest
@@ -1 +1,2 @@
DIST openbabel-2.4.1.tar.gz 11618304 BLAKE2B 8fc051e83add9be6456e281a109bd6bbec282a64ffc83309819f0decbf167b4914fbb7f1966e95e103f268754045b804317f51c79a952ace707c6af2bd320125 SHA512 427e678f0a911bd27b9a8a05e60b6e09f113be4e5dd180daaf80c28d06368e52b57501261755ab3817a8d31f2754db24471fd0ceee706d029386d6f70800e9c6
+DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
diff --git a/sci-chemistry/openbabel/openbabel-2.4.1-r1.ebuild b/sci-chemistry/openbabel/openbabel-2.4.1-r1.ebuild
new file mode 100644
index 00000000000..0834c411ef2
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-2.4.1-r1.ebuild
@@ -0,0 +1,101 @@
+# 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 -> ${PN}.png
+"
+
+# See src/CMakeLists.txt for LIBRARY_VERSION
+SLOT="0/5.0.0"
+LICENSE="GPL-2"
+KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos"
+IUSE="doc openmp test wxwidgets"
+
+RDEPEND="
+ dev-cpp/eigen:3
+ dev-libs/libxml2:2
+ sci-libs/inchi
+ sys-libs/zlib
+ wxwidgets? ( x11-libs/wxGTK:${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
+}