1 |
jlec 12/06/24 08:13:25 |
2 |
|
3 |
Added: molsketch-0.2.0-openbabel-231.patch |
4 |
Log: |
5 |
sci-chemistry/molsketch: Backport changes in order to fix some unknown build failure, #351232 |
6 |
|
7 |
(Portage version: 2.2.0_alpha112/cvs/Linux x86_64) |
8 |
|
9 |
Revision Changes Path |
10 |
1.1 sci-chemistry/molsketch/files/molsketch-0.2.0-openbabel-231.patch |
11 |
|
12 |
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 |
13 |
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 |
14 |
|
15 |
Index: molsketch-0.2.0-openbabel-231.patch |
16 |
=================================================================== |
17 |
CMakeLists.txt | 12 ++++++------ |
18 |
libmolsketch/src/stereocenteritem.cpp | 2 +- |
19 |
2 files changed, 7 insertions(+), 7 deletions(-) |
20 |
|
21 |
diff --git a/CMakeLists.txt b/CMakeLists.txt |
22 |
index a4b5d29..f472b40 100644 |
23 |
--- a/CMakeLists.txt |
24 |
+++ b/CMakeLists.txt |
25 |
@@ -12,10 +12,10 @@ set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/cmake/modules) |
26 |
# compiler issues are fixed and more warnings are issued. # |
27 |
########################################################### |
28 |
if (CMAKE_COMPILER_IS_GNUCXX) |
29 |
- set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align") |
30 |
- set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts") |
31 |
- set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security") |
32 |
- set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common") |
33 |
+# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-long-long -std=iso9899:1990 -Wundef -Wcast-align") |
34 |
+# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Werror-implicit-function-declaration -Wchar-subscripts") |
35 |
+# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wall -W -Wpointer-arith -Wwrite-strings -Wformat-security") |
36 |
+# set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wmissing-format-attribute -fno-common") |
37 |
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wnon-virtual-dtor -Wno-long-long -ansi -Wundef -Wcast-align") |
38 |
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wchar-subscripts -Wall -W -Wpointer-arith -Wformat-security") |
39 |
set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fno-exceptions -fno-check-new -fno-common") |
40 |
@@ -32,7 +32,7 @@ set(CPACK_SOURCE_IGNORE_FILES "/build;/.git") |
41 |
include(CPack) |
42 |
|
43 |
# Unit testing, mainly useful for developers and so defaults to off |
44 |
-option(ENABLE_TESTS "Enable unit testing" ON) |
45 |
+option(ENABLE_TESTS "Enable unit testing" OFF) |
46 |
if(ENABLE_TESTS) |
47 |
set(QT_USE_QTTEST TRUE) |
48 |
enable_testing() |
49 |
@@ -48,7 +48,7 @@ configure_file("${CMAKE_MODULE_PATH}/cmake_uninstall.cmake.in" |
50 |
add_custom_target(uninstall "${CMAKE_COMMAND}" -P "${CMAKE_CURRENT_BINARY_DIR}/cmake_uninstall.cmake") |
51 |
|
52 |
# Enabling debugging symbols |
53 |
-set(CMAKE_BUILD_TYPE Debug) |
54 |
+# set(CMAKE_BUILD_TYPE Debug) |
55 |
|
56 |
# Enabling shared libraries |
57 |
set(BUILD_SHARED_LIBS OFF) |
58 |
diff --git a/libmolsketch/src/stereocenteritem.cpp b/libmolsketch/src/stereocenteritem.cpp |
59 |
index 44a8015..20f2a4a 100644 |
60 |
--- a/libmolsketch/src/stereocenteritem.cpp |
61 |
+++ b/libmolsketch/src/stereocenteritem.cpp |
62 |
@@ -63,7 +63,7 @@ namespace Molsketch { |
63 |
graphsym.GetSymmetry(symmetry_classes); |
64 |
|
65 |
//std::vector<unsigned long> atomIds = FindTetrahedralAtoms(obmol, symmetry_classes); |
66 |
- std::vector<OpenBabel::StereogenicUnit> units = FindStereogenicUnits(obmol, symmetry_classes); |
67 |
+ OpenBabel::OBStereoUnitSet units = FindStereogenicUnits(obmol, symmetry_classes); |
68 |
|
69 |
for (unsigned int i = 0; i < units.size(); ++i) { |
70 |
if (units.at(i).type == OpenBabel::OBStereo::Tetrahedral) { |