sci-chemistry/openbabel: Fix gcc10 build and use wxGTK:gtk3.0

Thanks-to: Michelangelo Scopelliti
Bug: https://bugs.gentoo.org/722860
Package-Manager: Portage-3.0.17, Repoman-3.0.2
Signed-off-by: Pacho Ramos <pacho@gentoo.org>

2 files changed, 163 insertions, 0 deletions

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..8830108275bd
--- /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
+}