gentoo resync : 28.04.2021

3 files changed, 165 insertions, 0 deletions

diff --git a/sci-chemistry/openbabel/Manifest b/sci-chemistry/openbabel/Manifest
index 782bf7a5fc8f..c030e3c66b6c 100644
--- a/sci-chemistry/openbabel/Manifest
+++ b/sci-chemistry/openbabel/Manifest
@@ -1,6 +1,8 @@
 AUX openbabel-2.3.2-gcc-6_and_7-backport.patch 635 BLAKE2B 4e98dedd149b14d5bb02fb6d2fa03e07242d100c7b41f36f749ff3d587080eeca44aa26ca095d31e0309e45f3780b67deaa97f1177ed35a9b7407bd7c33f78ff SHA512 e1b4402f34d01ced5b4caaa184b4e5544cf47893cfe7958054052b05a57dc34b4d44239a212c7d909f29b9366b83b6df74993f844a20f23748c01272ec093081
 AUX openbabel-2.4.1-gcc-8.patch 707 BLAKE2B 2b40d3e573664d036ef961e0298d34e093370485a07790ec2bb9628b02928f3977c70381ba1337e1394601300c2b7b1f05306476302ef0b894ebfadcd01322d9 SHA512 c23fc09ea9cc72c84782a95cfcc59cba5270bbeb24bc50e8aa5349bb22d691c59684c9ca8fdc870733432429e3d9e0a5c660317ee19fa7e8f3fb62c9ebc2dbbd
+AUX openbabel-2.4.1-gcc10.patch 2317 BLAKE2B a76a4ef8b7502f8a80ebb807d2874d77f2ef5f532fa7b71a398245b737d1d55387121f4c24fc7dda7df47ddac4ad16e9cd12076787bedf0f63872708e9516d99 SHA512 ea37e5c53360728455be3d819c29fc27aa10556451a437e05c71c6a5e2bd5e1cfb4c229ff0e67e6c8ae7554f08b7bb16ad4be9ace36991c9c9f2417574b373f2
 DIST openbabel-2.4.1.tar.gz 11618304 BLAKE2B 8fc051e83add9be6456e281a109bd6bbec282a64ffc83309819f0decbf167b4914fbb7f1966e95e103f268754045b804317f51c79a952ace707c6af2bd320125 SHA512 427e678f0a911bd27b9a8a05e60b6e09f113be4e5dd180daaf80c28d06368e52b57501261755ab3817a8d31f2754db24471fd0ceee706d029386d6f70800e9c6
 DIST openbabel.png 29060 BLAKE2B 8d217d92125cc73462437411dd4e0cc05179cb0934f5ed15a307acc6b549b8ebab250a48a05ef7657f48c6df394f37da9b659de61efb1477b79b573a5b393ad3 SHA512 bbcaaa37663b526c9038ccb9edaf05ccc3ad1a861739a737f05f363098d8402a10b36e341fcc0aca636e809c6c32db99bf987b41719a0c756bf5e31444d3eb70
 EBUILD openbabel-2.4.1-r1.ebuild 2226 BLAKE2B 1342b61d567112528a5d574e0529837d96b53e98ca96a71b05336079f2caf7489b74cf98a83d15d884f19ed24090f1284313cd1b5df552f6482fe6dfa045a40d SHA512 1566ba69f27e97acfbb2950b65844987dc9a21410f42d540e0e3a6c732c151395b80cc6fa371b70414ffcc5b61c445efb6f893653b2b5d353579c73f6804f247
+EBUILD openbabel-2.4.1-r2.ebuild 2178 BLAKE2B fd0d324a28dac54a6b67359b9250ab4331195eeb32c10de46d9d5d4e5c4bce44298eb0953eb06006823b7c6bdc5ab0b7f22b0b3334800e2f06d080a3e24fe311 SHA512 494acf7a358eb01a8bc77713da9135195013833c8bc993adad25221715238e53309719c0e42bdcd8ee076d35b26228946cfad5e08aab3259119db741c27ae5bd
 MISC metadata.xml 665 BLAKE2B 4657b85c826c006b6d69e06240dd908a72397a32cb0c0512810e22d1b02478eaa3ab460535b300eba653a334a79c81a102007da1a901d6d1dbd04fc5e795df73 SHA512 0555e7c7401dfd5fbeee339302f8eb7a104ad6538db2839d8e89c20ac5ad2184070335677671a58eb91be2780ae485467d33302f3a14d0caab4ae8c0148f03bb
diff --git a/sci-chemistry/openbabel/files/openbabel-2.4.1-gcc10.patch b/sci-chemistry/openbabel/files/openbabel-2.4.1-gcc10.patch
new file mode 100644
index 000000000000..88d8c2add64a
--- /dev/null
+++ b/sci-chemistry/openbabel/files/openbabel-2.4.1-gcc10.patch
@@ -0,0 +1,62 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 2e66dd1..ef4f16b 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -1,16 +1,11 @@
+ # Please ensure that any changes remain compliant with 2.4.8.
+ if(NOT EMBED_OPENBABEL)
+-  cmake_minimum_required(VERSION 2.4.8)
++  cmake_minimum_required(VERSION 2.4.10)
+ endif()
+ 
+ project(openbabel)
+ set(CMAKE_MODULE_PATH ${openbabel_SOURCE_DIR}/cmake/modules)
+ 
+-# Allow loose loop constructs, i.e. no matching in if/else/endif or loops.
+-# Note that this is true by default in CMake 2.6.0, but we currently only
+-# require CMake 2.4.8 - remove this when the CMake requirement is bumped.
+-set(CMAKE_ALLOW_LOOSE_LOOP_CONSTRUCTS 1)
+-
+ if(COMMAND cmake_policy)
+   cmake_policy(SET CMP0003 NEW)
+   cmake_policy(SET CMP0005 OLD) # add_definitions need updating to set to NEW
+@@ -20,7 +15,6 @@ if(COMMAND cmake_policy)
+ endif()
+ 
+ include (CheckCXXCompilerFlag)
+-include (MacroEnsureVersion)
+ 
+ # Version numbering - should be bumped for each release
+ # Note that for "beta" releases, we should start at x.90.0 -- we've
+@@ -238,16 +232,21 @@ check_type_size(clock_t CLOCK_T)
+ 
+ # Get the GCC version - from KDE4 cmake files
+ if(CMAKE_COMPILER_IS_GNUCXX)
+-  exec_program(${CMAKE_C_COMPILER} ARGS --version OUTPUT_VARIABLE _gcc_version_info)
+-  string(REGEX MATCH "[345]\\.[0-9]\\.[0-9]" _gcc_version "${_gcc_version_info}")
+-  # gcc on mac just reports: "gcc (GCC) 3.3 20030304 ..." without the
+-  # patch level, handle this here:
+-  if (NOT _gcc_version)
+-    string (REGEX REPLACE ".*\\(GCC\\).* ([34]\\.[0-9]) .*" "\\1.0" _gcc_version "${_gcc_version_info}")
+-  endif ()
+-  macro_ensure_version("4.0.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_0)
+-  macro_ensure_version("4.1.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_1)
+-  macro_ensure_version("4.2.0" "${_gcc_version}" GCC_IS_NEWER_THAN_4_2)
++  if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.0.0))
++    set(GCC_IS_NEWER_THAN_4_0 TRUE)
++  else()
++    set(GCC_IS_NEWER_THAN_4_0 FALSE)
++  endif()
++  if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.1.0))
++    set(GCC_IS_NEWER_THAN_4_1 TRUE)
++  else()
++    set(GCC_IS_NEWER_THAN_4_1 FALSE)
++  endif()
++  if(NOT(${CMAKE_CXX_COMPILER_VERSION} VERSION_LESS 4.2.0))
++    set(GCC_IS_NEWER_THAN_4_2 TRUE)
++  else()
++    set(GCC_IS_NEWER_THAN_4_2 FALSE)
++  endif()
+ endif()
+ 
+ if(UNIX)
diff --git a/sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild b/sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild
new file mode 100644
index 000000000000..95161d26d6d6
--- /dev/null
+++ b/sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild
@@ -0,0 +1,101 @@
+# Copyright 1999-2021 Gentoo Authors
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=7
+WX_GTK_VER="3.0-gtk3"
+
+inherit cmake-utils desktop optfeature toolchain-funcs 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="${RDEPEND}"
+BDEPEND="
+	>=dev-util/cmake-2.4.10
+	doc? ( app-doc/doxygen )
+"
+
+DOCS=( AUTHORS NEWS.md README.md THANKS doc/dioxin.{inc,mol2} doc/README.{dioxin.pov,povray} )
+
+PATCHES=(
+	"${FILESDIR}"/${P}-gcc10.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
+}