diff options
Diffstat (limited to 'sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch')
| -rw-r--r-- | sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch | 54 |
1 files changed, 54 insertions, 0 deletions
diff --git a/sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch b/sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch new file mode 100644 index 000000000000..41ddf01df5f8 --- /dev/null +++ b/sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch @@ -0,0 +1,54 @@ + 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) { |