[gentoo-commits] gentoo-x86 commit in sci-chemistry/molsketch/files: molsketch-0.2.0-openbabel-231.patch

[gentoo-commits] gentoo-x86 commit in sci-chemistry/molsketch/files: molsketch-0.2.0-openbabel-231.patch

[Justin Lecher (jlec)]

jlec        12/06/24 08:13:25

  Added:                molsketch-0.2.0-openbabel-231.patch
  Log:
  sci-chemistry/molsketch: Backport changes in order to fix some unknown build failure, #351232
  
  (Portage version: 2.2.0_alpha112/cvs/Linux x86_64)

Revision  Changes    Path
1.1                  sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch

file : http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch?rev=1.1&view=markup
plain: http://sources.gentoo.org/viewvc.cgi/gentoo-x86/sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch?rev=1.1&content-type=text/plain

Index: molsketch-0.2.0-openbabel-231.patch
===================================================================
 CMakeLists.txt                        |   12 ++++++------
 libmolsketch/src/stereocenteritem.cpp |    2 +-
 2 files changed, 7 insertions(+), 7 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index a4b5d29..f472b40 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -12,10 +12,10 @@ set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/cmake/modules)
 # compiler issues are fixed and more warnings are issued. #
 ###########################################################
 if (CMAKE_COMPILER_IS_GNUCXX)
-  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align")
-  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts")
-  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security")
-  set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common")
+#   set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align")
+#   set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts")
+#   set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security")
+#   set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common")
   set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wnon-virtual-dtor -Wno-long-long -ansi -Wundef -Wcast-align") 
   set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wchar-subscripts -Wall -W -Wpointer-arith -Wformat-security")
   set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fno-exceptions -fno-check-new -fno-common")
@@ -32,7 +32,7 @@ set(CPACK_SOURCE_IGNORE_FILES "/build;/.git")
 include(CPack)
 
 # Unit testing, mainly useful for developers and so defaults to off
-option(ENABLE_TESTS "Enable unit testing" ON)
+option(ENABLE_TESTS "Enable unit testing" OFF)
 if(ENABLE_TESTS)
   set(QT_USE_QTTEST TRUE)
   enable_testing()
@@ -48,7 +48,7 @@ configure_file("${CMAKE_MODULE_PATH}/cmake_uninstall.cmake.in"
 add_custom_target(uninstall "${CMAKE_COMMAND}" -P "${CMAKE_CURRENT_BINARY_DIR}/cmake_uninstall.cmake")
 
 # Enabling debugging symbols
-set(CMAKE_BUILD_TYPE Debug)
+# set(CMAKE_BUILD_TYPE Debug)
 
 # Enabling shared libraries
 set(BUILD_SHARED_LIBS OFF)
diff --git a/libmolsketch/src/stereocenteritem.cpp b/libmolsketch/src/stereocenteritem.cpp
index 44a8015..20f2a4a 100644
--- a/libmolsketch/src/stereocenteritem.cpp
+++ b/libmolsketch/src/stereocenteritem.cpp
@@ -63,7 +63,7 @@ namespace Molsketch {
     graphsym.GetSymmetry(symmetry_classes);
 
     //std::vector<unsigned long> atomIds = FindTetrahedralAtoms(obmol, symmetry_classes);
-    std::vector<OpenBabel::StereogenicUnit> units = FindStereogenicUnits(obmol, symmetry_classes);
+    OpenBabel::OBStereoUnitSet units = FindStereogenicUnits(obmol, symmetry_classes);
     
     for (unsigned int i = 0; i < units.size(); ++i) {
       if (units.at(i).type == OpenBabel::OBStereo::Tetrahedral) {