mirror of
https://github.com/Ponce/slackbuilds
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academic/avogadro: Updated for version 1.2.0
Signed-off-by: Larry Hajali <larryhaja[at]gmail[dot]com>
This commit is contained in:
Larry Hajali
Willy Sudiarto Raharjo
parent
2366720739
commit
a99f628b50
8 changed files with 59 additions and 353 deletions
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@ -1,51 +0,0 @@
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--- avogadro-1.1.1/CMakeLists.txt.omv~ 2014-01-30 13:58:22.999443609 +0100
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+++ avogadro-1.1.1/CMakeLists.txt 2014-01-30 13:59:31.086106925 +0100
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@@ -230,13 +230,15 @@ if(NOT Linguist_FOUND)
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message(WARNING " Qt4 Linguist not found, please install it if you want Avogadro translations")
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endif()
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-find_package(Eigen3) # find and setup Eigen3 if available
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+find_package(Eigen3 REQUIRED) # find and setup Eigen3 if available
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if(NOT EIGEN3_FOUND)
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message(STATUS "Cannot find Eigen3, trying Eigen2")
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- find_package(Eigen2 REQUIRED) # Some version is required
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+ find_package(Eigen2) # Some version is required
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else()
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# Use Stage10 Eigen3 support
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set (EIGEN2_SUPPORT_STAGE10_FULL_EIGEN2_API TRUE)
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+ add_definitions (-DEIGEN2_SUPPORT_STAGE10_FULL_EIGEN2_API)
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+ set (EIGEN2_INCLUDE_DIR ${EIGEN3_INCLUDE_DIR})
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endif()
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find_package(ZLIB REQUIRED)
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--- avogadro-1.1.1/libavogadro/src/extensions/qtaim/CMakeLists.txt.omv~ 2014-01-30 14:12:33.859401753 +0100
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+++ avogadro-1.1.1/libavogadro/src/extensions/qtaim/CMakeLists.txt 2014-01-30 14:15:07.652727522 +0100
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@@ -4,6 +4,8 @@ set(LINK_LIBS avogadro)
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set(PLUGIN_LABEL extensions)
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set(PLUGIN_TARGET extensions)
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+add_definitions(-DEIGEN2_SUPPORT_STAGE20_RESOLVE_API_CONFLICTS -std=gnu++11)
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+
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set(qtaimextension_SRCS
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qtaimextension.cpp
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# qtaimdialog.cpp
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--- avogadro-1.1.1/libavogadro/src/extensions/surfaces/openqube/CMakeLists.txt.omv~ 2014-01-30 13:59:05.889441500 +0100
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+++ avogadro-1.1.1/libavogadro/src/extensions/surfaces/openqube/CMakeLists.txt 2014-01-30 13:59:08.832774688 +0100
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@@ -1,5 +1,5 @@
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find_package(Qt4 4.6 REQUIRED)
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-find_package(Eigen2 REQUIRED)
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+find_package(Eigen3 REQUIRED)
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include_directories(${QT_INCLUDE_DIR} ${EIGEN2_INCLUDE_DIR})
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--- avogadro-1.1.1/cmake/modules/AvogadroUse.cmake.orig 2014-10-13 20:13:59.909828034 +0100
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+++ avogadro-1.1.1/cmake/modules/AvogadroUse.cmake 2014-10-13 20:15:09.492822908 +0100
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@@ -12,7 +12,7 @@
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# Add the Avogadro modules directory to the CMake module path
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set(CMAKE_MODULE_PATH ${Avogadro_PLUGIN_DIR}/cmake ${CMAKE_MODULE_PATH})
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-find_package(Eigen2 REQUIRED)
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+find_package(Eigen3 REQUIRED)
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include_directories(${EIGEN2_INCLUDE_DIR})
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if(Avogadro_ENABLE_GLSL)
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find_package(GLEW)
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14
academic/avogadro/avogadro-1.1.1-python_openbabel.patch
Normal file
14
academic/avogadro/avogadro-1.1.1-python_openbabel.patch
Normal file
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@ -0,0 +1,14 @@
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diff -up avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt.openbabel avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt
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--- avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt.openbabel 2013-12-06 09:50:04.000000000 -0600
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+++ avogadro-1.1.1/libavogadro/src/python/CMakeLists.txt 2016-01-25 13:50:10.469758655 -0600
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@@ -20,8 +20,8 @@ if (WIN32)
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set_target_properties(python-module PROPERTIES SUFFIX ".pyd")
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target_link_libraries(python-module avogadro ${PYTHON_LIBRARIES})
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else()
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- target_link_libraries(python-module stdc++ avogadro
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- ${QT_LIBRARIES} ${PYTHON_LIBRARIES} ${Boost_LIBRARIES})
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+ target_link_libraries(python-module stdc++ avogadro
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+ ${QT_LIBRARIES} ${PYTHON_LIBRARIES} ${OPENBABEL2_LIBRARIES} ${Boost_LIBRARIES})
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endif()
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# Let's try to use this instead:
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29
academic/avogadro/avogadro-1.2.0-libmsym.patch
Normal file
29
academic/avogadro/avogadro-1.2.0-libmsym.patch
Normal file
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@ -0,0 +1,29 @@
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diff -Naur avogadro-1.2.0.orig/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt
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--- avogadro-1.2.0.orig/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt 2016-06-08 14:19:45.000000000 +0000
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+++ avogadro-1.2.0/libavogadro/src/extensions/symmetry/libmsym/CMakeLists.txt 2016-08-01 04:18:55.910888721 +0000
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@@ -7,13 +7,13 @@
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set(LIBMSYM_PATCH_VERSION 0)
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set(LIBMSYM_VERSION ${LIBMSYM_MAJOR_VERSION}.${LIBMSYM_MINOR_VERSION}.${LIBMSYM_PATCH_VERSION})
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-set(INSTALL_LIB_DIR lib CACHE PATH "Installation directory for msym library")
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+set(INSTALL_LIB_DIR lib${LIB_SUFFIX} CACHE PATH "Installation directory for msym library")
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set(INSTALL_INCLUDE_DIR include CACHE PATH "Installation directory for header files")
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if(WIN32 AND NOT CYGWIN)
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set(DEF_INSTALL_CMAKE_DIR CMake)
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else()
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- set(DEF_INSTALL_CMAKE_DIR lib/cmake/libmsym)
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+ set(DEF_INSTALL_CMAKE_DIR lib${LIB_SUFFIX}/cmake/libmsym)
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endif()
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set(INSTALL_CMAKE_DIR ${DEF_INSTALL_CMAKE_DIR} CACHE PATH "Installation directory for CMake files")
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@@ -29,6 +29,9 @@
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file (GLOB source src/*.c)
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add_library (msym ${source})
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if (BUILD_SHARED_LIBS)
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+ if(CMAKE_SYSTEM_NAME MATCHES Linux)
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+ target_link_libraries(msym m)
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+ endif()
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set_target_properties (msym PROPERTIES
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POSITION_INDEPENDENT_CODE "TRUE")
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endif ()
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@ -1,12 +0,0 @@
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Index: avogadro-1.1.1/CMakeLists.txt
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===================================================================
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--- avogadro-1.1.1.orig/CMakeLists.txt
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+++ avogadro-1.1.1/CMakeLists.txt
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@@ -225,6 +225,7 @@ set(I18N_LANGUAGE "" CACHE STRING "Build
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find_package(Qt4 4.6.0 REQUIRED) # find and setup Qt4 for this project
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find_package(OpenGL REQUIRED) # find and setup OpenGL
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+find_package(X11 REQUIRED) # find and setup X11
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find_package(Linguist) # find and setup Linguist
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if(NOT Linguist_FOUND)
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message(WARNING " Qt4 Linguist not found, please install it if you want Avogadro translations")
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@ -2,7 +2,7 @@
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# Slackware build script for Avogadro
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# Copyright 2010-2013 Larry Hajali <larryhaja[at]gmail[dot]com>
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# Copyright 2010-2016 Larry Hajali <larryhaja[at]gmail[dot]com>
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# All rights reserved.
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#
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# Redistribution and use of this script, with or without modification, is
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@ -23,7 +23,7 @@
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# ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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PRGNAM=avogadro
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VERSION=${VERSION:-1.1.1}
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VERSION=${VERSION:-1.2.0}
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BUILD=${BUILD:-1}
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TAG=${TAG:-_SBo}
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@ -60,30 +60,23 @@ rm -rf $PKG
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mkdir -p $TMP $PKG $OUTPUT
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cd $TMP
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rm -rf $PRGNAM-$VERSION
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tar xvf $CWD/$PRGNAM-$VERSION.tar.bz2
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tar xvf $CWD/$PRGNAM-$VERSION.tar.gz
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cd $PRGNAM-$VERSION
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chown -R root:root .
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find -L . \
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\( -perm 777 -o -perm 775 -o -perm 750 -o -perm 711 -o -perm 555 \
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-o -perm 511 \) -exec chmod 755 {} \; -o \
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\( -perm 666 -o -perm 664 -o -perm 640 -o -perm 600 -o -perm 444 \
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-o -perm 440 -o -perm 400 \) -exec chmod 644 {} \;
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-o -perm 440 -o -perm 400 \) -exec chmod 644 {} \;
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# Fix gcc-4.7.x build issues.
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patch -p1 < $CWD/gcc-4.7.patch
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# Fix boost 1.53 build issues.
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patch -p1 < $CWD/boost-1.53.patch
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# Fix manpage directory.
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sed -i 's|share/man|man|' doc/CMakeLists.txt
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# Fix install directory and linking for libmsym library.
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patch -p1 < $CWD/avogadro-1.2.0-libmsym.patch
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# Fix eigen3 support (thanks slack_jack, ponce and Fedora)
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# http://pkgs.fedoraproject.org/cgit/avogadro.git/plain/avogadro-1.1.1-eigen3.patch
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patch -p1 < $CWD/avogadro-1.1.1-eigen3.patch
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# Fix underlinking (gcc-5.2) thanks Fedora
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patch -p1 < $CWD/avogadro-cmake-3.2.patch
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# Fix more underlinking (gcc-5.3)
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SLKCFLAGS="$SLKCFLAGS -lopenbabel"
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# fix build (with recent swig/linker/python?)
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# http://pkgs.fedoraproject.org/cgit/rpms/avogadro.git/tree/avogadro-1.1.1-python_openbabel.patch
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patch -p1 < $CWD/avogadro-1.1.1-python_openbabel.patch
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mkdir -p build
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cd build
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@ -96,6 +89,8 @@ cd build
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-DCMAKE_SKIP_RPATH=YES \
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-DENABLE_GLSL:BOOL=ON \
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-DENABLE_UPDATE_CHECKER=OFF \
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-DENABLE_VERSIONED_PLUGIN_DIR:BOOL=OFF \
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-DBUILD_SHARED_LIBS:BOOL=ON \
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-DQT_MKSPECS_RELATIVE=lib${LIBDIRSUFFIX}/qt/mkspecs \
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-DCMAKE_BUILD_TYPE=Release ..
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@ -103,14 +98,14 @@ cd build
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make install DESTDIR=$PKG
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cd -
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find $PKG | xargs file | grep -e "executable" -e "shared object" | grep ELF \
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find $PKG -print0 | xargs -0 file | grep -e "executable" -e "shared object" | grep ELF \
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| cut -f 1 -d : | xargs strip --strip-unneeded 2> /dev/null || true
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find $PKG/usr/man -type f -exec gzip -9 {} \;
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mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION
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cp -a \
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AUTHORS ChangeLog COPYING INSTALL README \
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AUTHORS COPYING INSTALL README \
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libavogadro/src/extensions/gl2ps/{COPYING*,*.txt,*.pdf} \
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$PKG/usr/doc/$PRGNAM-$VERSION
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cat $CWD/$PRGNAM.SlackBuild > $PKG/usr/doc/$PRGNAM-$VERSION/$PRGNAM.SlackBuild
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@ -1,8 +1,8 @@
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PRGNAM="avogadro"
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VERSION="1.1.1"
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VERSION="1.2.0"
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HOMEPAGE="http://avogadro.openmolecules.net/wiki/Main_Page"
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DOWNLOAD="http://downloads.sourceforge.net/avogadro/avogadro-1.1.1.tar.bz2"
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MD5SUM="1223bb18f50dccd2c60538aa90d58c7a"
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DOWNLOAD="http://downloads.sourceforge.net/avogadro/avogadro-1.2.0.tar.gz"
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MD5SUM="3206068fc27bd3b717c568ee72f1e5ec"
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DOWNLOAD_x86_64=""
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MD5SUM_x86_64=""
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REQUIRES="openbabel"
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@ -1,60 +0,0 @@
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--- avogadro-1.1.0/libavogadro/src/pythonengine_p.h~ 2013-03-29 12:46:16.306165881 +0000
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+++ avogadro-1.1.0/libavogadro/src/pythonengine_p.h 2013-03-29 12:45:43.123089622 +0000
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@@ -27,7 +27,9 @@
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#include <avogadro/global.h>
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#include <avogadro/engine.h>
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+#ifndef Q_MOC_RUN
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#include <boost/python.hpp>
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+#endif
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namespace Avogadro {
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--- avogadro-1.1.0/libavogadro/src/pythonextension_p.h~ 2013-03-29 12:46:32.156043085 +0000
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+++ avogadro-1.1.0/libavogadro/src/pythonextension_p.h 2013-03-29 12:47:07.265771087 +0000
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@@ -29,7 +29,9 @@
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#include <avogadro/extension.h>
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#include <avogadro/primitive.h>
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#include <avogadro/glwidget.h>
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+#ifndef Q_MOC_RUN
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#include <boost/python.hpp>
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+#endif
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#include <QWidget>
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#include <QList>
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--- avogadro-1.1.0/libavogadro/src/pythontool_p.h~ 2013-03-29 12:47:33.335569185 +0000
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+++ avogadro-1.1.0/libavogadro/src/pythontool_p.h 2013-03-29 12:47:50.732101147 +0000
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@@ -27,7 +27,9 @@
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#include <avogadro/global.h>
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#include <avogadro/tool.h>
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+#ifndef Q_MOC_RUN
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#include <boost/python.hpp>
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+#endif
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#include <QObject>
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#include <QAction>
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--- avogadro-1.1.0/libavogadro/src/pythoninterpreter.h~ 2013-03-29 12:50:46.550738652 +0000
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+++ avogadro-1.1.0/libavogadro/src/pythoninterpreter.h 2013-03-29 12:51:00.853961341 +0000
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@@ -26,7 +26,9 @@
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#define PYTHONINTERPRETER_H
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#include <avogadro/global.h>
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+#ifndef Q_MOC_RUN
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#include <boost/python.hpp>
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+#endif
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#include <avogadro/primitive.h>
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#include <QString>
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--- avogadro-1.1.0/libavogadro/src/pythonscript.h~ 2013-03-29 12:52:00.723488935 +0000
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+++ avogadro-1.1.0/libavogadro/src/pythonscript.h 2013-03-29 12:52:11.676745364 +0000
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@@ -27,7 +27,9 @@
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#define PYTHONSCRIPT_H
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#include <avogadro/global.h>
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+#ifndef Q_MOC_RUN
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#include <boost/python.hpp>
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+#endif
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#include "pythonerror.h"
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@ -1,209 +0,0 @@
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diff -Naur avogadro-1.0.3.orig/avogadro/src/mainwindow.h avogadro-1.0.3/avogadro/src/mainwindow.h
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--- avogadro-1.0.3.orig/avogadro/src/mainwindow.h 2011-04-25 05:22:18.000000000 +0000
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+++ avogadro-1.0.3/avogadro/src/mainwindow.h 2012-07-11 13:57:36.624006453 +0000
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@@ -24,6 +24,7 @@
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#ifndef MAINWINDOW_H
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#define MAINWINDOW_H
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+#include <cstddef>
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#include <Eigen/Geometry>
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#include "ui_mainwindow.h"
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#include "flattabwidget.h"
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diff -Naur avogadro-1.0.3.orig/libavogadro/src/tools/eyecandy.h avogadro-1.0.3/libavogadro/src/tools/eyecandy.h
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--- avogadro-1.0.3.orig/libavogadro/src/tools/eyecandy.h 2011-04-25 05:22:18.000000000 +0000
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+++ avogadro-1.0.3/libavogadro/src/tools/eyecandy.h 2012-07-11 13:43:22.892050693 +0000
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@@ -25,6 +25,7 @@
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#ifndef EYECANDY_H
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#define EYECANDY_H
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+#include <cstddef>
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#include <Eigen/Core>
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|
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namespace Avogadro {
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diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/crystallography/avospglib.h avogadro-1.1.0/libavogadro/src/extensions/crystallography/avospglib.h
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--- avogadro-1.1.0.orig/libavogadro/src/extensions/crystallography/avospglib.h 2012-09-03 17:07:00.000000000 +0000
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+++ avogadro-1.1.0/libavogadro/src/extensions/crystallography/avospglib.h 2012-12-02 23:46:44.297457487 +0000
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@@ -18,6 +18,7 @@
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#ifndef AVOSPGLIB_H
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#define AVOSPGLIB_H
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+#include <cstddef>
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#include <Eigen/Core>
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#include <QtCore/QList>
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diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimcriticalpointlocator.cpp avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimcriticalpointlocator.cpp
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--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimcriticalpointlocator.cpp 2012-09-03 17:07:00.000000000 +0000
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+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimcriticalpointlocator.cpp 2012-12-03 00:46:44.820773931 +0000
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@@ -28,6 +28,7 @@
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#include "qtaimlsodaintegrator.h"
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#include "qtaimmathutilities.h"
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+#include <cstddef>
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#include <Eigen/Core>
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#include <QList>
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diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimlsodaintegrator.h avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimlsodaintegrator.h
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--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimlsodaintegrator.h 2012-09-03 17:07:00.000000000 +0000
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+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimlsodaintegrator.h 2012-12-03 00:32:41.095760808 +0000
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@@ -30,6 +30,7 @@
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#include <QVector3D>
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#include <QPair>
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|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
#include "qtaimwavefunction.h"
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimmathutilities.cpp avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimmathutilities.cpp
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimmathutilities.cpp 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimmathutilities.cpp 2012-12-03 00:46:24.188773609 +0000
|
||||
@@ -23,6 +23,7 @@
|
||||
**********************************************************************/
|
||||
|
||||
#include <cmath>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/QR>
|
||||
|
||||
#include "qtaimmathutilities.h"
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimmathutilities.h avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimmathutilities.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimmathutilities.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimmathutilities.h 2012-12-03 00:32:01.134760196 +0000
|
||||
@@ -26,6 +26,7 @@
|
||||
|
||||
#include <QtGlobal>
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
using namespace Eigen;
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimodeintegrator.h avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimodeintegrator.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimodeintegrator.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimodeintegrator.h 2012-12-03 00:33:01.432761053 +0000
|
||||
@@ -30,6 +30,7 @@
|
||||
#include <QVector3D>
|
||||
#include <QPair>
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
#include "qtaimwavefunction.h"
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimwavefunctionevaluator.h avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimwavefunctionevaluator.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/qtaim/qtaimwavefunctionevaluator.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/qtaim/qtaimwavefunctionevaluator.h 2012-12-03 00:33:28.571761559 +0000
|
||||
@@ -10,6 +10,7 @@
|
||||
|
||||
#include "qtaimwavefunction.h"
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
using namespace Eigen;
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/atom.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/atom.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/atom.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/atom.h 2012-12-02 23:57:35.872728048 +0000
|
||||
@@ -19,6 +19,7 @@
|
||||
|
||||
#include "molecule.h"
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
namespace OpenQube {
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/cube.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/cube.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/cube.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/cube.h 2012-12-03 00:16:50.638746161 +0000
|
||||
@@ -20,6 +20,7 @@
|
||||
#include "openqubeabi.h"
|
||||
|
||||
#include <vector>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <QtCore/QString>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gamessukout.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gamessukout.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gamessukout.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gamessukout.h 2012-12-03 00:17:25.300746590 +0000
|
||||
@@ -19,6 +19,7 @@
|
||||
|
||||
#include "gaussianset.h"
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
#include <vector>
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gamessus.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gamessus.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gamessus.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gamessus.h 2012-12-03 00:17:40.584746828 +0000
|
||||
@@ -18,6 +18,7 @@
|
||||
#define GAMESSUS_H
|
||||
|
||||
#include <QtCore/QIODevice>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gaussianfchk.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gaussianfchk.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gaussianfchk.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gaussianfchk.h 2012-12-03 00:17:52.130747005 +0000
|
||||
@@ -18,6 +18,7 @@
|
||||
#define GAUSSIANFCHK_H
|
||||
|
||||
#include <QtCore/QIODevice>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gaussianset.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gaussianset.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/gaussianset.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/gaussianset.h 2012-12-03 00:18:04.072747212 +0000
|
||||
@@ -22,6 +22,7 @@
|
||||
|
||||
#include <QtCore/QFuture>
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/molden.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/molden.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/molden.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/molden.h 2012-12-03 00:18:23.164747493 +0000
|
||||
@@ -17,6 +17,7 @@
|
||||
#ifndef MOLDEN_H
|
||||
#define MOLDEN_H
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/molecule.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/molecule.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/molecule.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/molecule.h 2012-12-03 00:08:10.094737989 +0000
|
||||
@@ -22,6 +22,7 @@
|
||||
#include "atom.h"
|
||||
|
||||
#include <vector>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
|
||||
namespace OpenQube {
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/mopacaux.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/mopacaux.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/mopacaux.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/mopacaux.h 2012-12-03 00:18:48.113747871 +0000
|
||||
@@ -18,6 +18,7 @@
|
||||
#define MOPACAUX_H
|
||||
|
||||
#include <QtCore/QTextStream>
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
diff -Naur avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/slaterset.h avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/slaterset.h
|
||||
--- avogadro-1.1.0.orig/libavogadro/src/extensions/surfaces/openqube/slaterset.h 2012-09-03 17:07:00.000000000 +0000
|
||||
+++ avogadro-1.1.0/libavogadro/src/extensions/surfaces/openqube/slaterset.h 2012-12-03 00:19:11.592748237 +0000
|
||||
@@ -21,6 +21,7 @@
|
||||
|
||||
#include <QtCore/QFuture>
|
||||
|
||||
+#include <cstddef>
|
||||
#include <Eigen/Core>
|
||||
#include <vector>
|
||||
|
||||
Loading…
Reference in a new issue