Closed thegodone closed 1 year ago
A header include was missing that makes 'setlocale' available in namespace 'std'. This has been fixed now and very likely the compilation error will be gone. Unfortunately, I didn't try to compile CDPKit on MacOSX for years now (I am not a Mac user and also do not have access to a machine for build test), thus many more errors might occur!
I still have the same error: are you sure you include the header ?
You are right, sorry, I committed but didn't push the changes (was in a hurry yesterday and forgot). Please do a pull of the changes and try again.
thanks, I have a new error now : /Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/Chem/Atom2DCoordinatesCalculator.hpp:367:10: note: previous declaration is here class AtomNode : public LGNode ^ /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Chem/Atom2DCoordinatesCalculator.cpp:135:52: error: no class named 'EdgePriorityGreaterCmpFunc' in 'CDPL::Chem::Atom2DCoordinatesCalculator::AtomNode' class Chem::Atom2DCoordinatesCalculator::AtomNode::EdgePriorityGreaterCmpFunc :
/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Chem/Atom2DCoordinatesCalculator.cpp:136:36: error: unknown type name 'LGEdge'
public std::binary_function<const LGEdge*, const LGEdge*, bool>
^
at 16% compilation.
Thank you for reporting the compilation errors, but be prepared for many more of them! I have fixed the above issue (my gcc on CentOS Stream 8 seems to be much more tolerant), please update your sources and try again....
yes I know thanks for help by the way.
next bug ;-)
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/ForceField/MMFF94EnergyFunctions.hpp:703:9: error: no matching function for call to 'accumMMFF94InteractionEnergies'
return Detail::accumMMFF94InteractionEnergies~~~~~~~~~~~~
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/ForceField/MMFF94EnergyCalculator.hpp:188:19: note: in instantiation of function template specialization 'CDPL::ForceField::calcMMFF94TorsionEnergy<double, std::__wrap_iter<const CDPL::ForceField::MMFF94TorsionInteraction *>, std::vector<CDPL::Math::CVector<double, 3>>>' requested here
torsionEnergy = calcMMFF94TorsionEnergy
at 57% compulation so we progress.
57% is actually not that bad ;-) The above problem should be fixed now, please try again...
little progress so still in the 3D NRJ computations:
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/ForceField/MMFF94GradientFunctions.hpp:461:14: note: candidate template ignored: couldn't infer template argument 'FuncType'
ValueType calcMMFF94InteractionGradient(Iter& beg, const Iter& end, const CoordsArray& coords, GradVector& grad,
^
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/ForceField/MMFF94GradientFunctions.hpp:746:9: error: no matching function for call to 'calcMMFF94InteractionGradient'
return Detail::calcMMFF94InteractionGradient~~~~~~~~~~~
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/ForceField/MMFF94GradientCalculator.hpp:300:25: note: in instantiation of function template specialization 'CDPL::ForceField::calcMMFF94ElectrostaticGradient<double, std::__wrap_iter<const CDPL::ForceField::MMFF94ElectrostaticInteraction *>, std::vector<CDPL::Math::CVector<double, 3>>, std::vector<CDPL::Math::CVector<double, 3>>>' requested here
electrostaticEnergy = calcMMFF94ElectrostaticGradient
Has been fixed, next round please!
yes next round:
/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Shape/FastGaussianShapeAlignment.cpp:521:9: error: no member named 'math' in namespace 'boost'; did you mean 'Math'?
if (!boost::math::isfinite(minimizer.getFunctionValue())) // sanity check
^~~
Math
/Users/tgg/Downloads/CDPKit/Libs/C++/Include/CDPL/Math/Quaternion.hpp:48:12: note: 'Math' declared here
namespace Math
^
/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Shape/FastGaussianShapeAlignment.cpp:521:9: error: no member named 'isfinite' in namespace 'CDPL::Math'; did you mean 'isdigit'?
if (!boost::math::isfinite(minimizer.getFunctionValue())) // sanity check
62%
Has been fixed, next please!
hum this one is on precision, I have already this error in another code but don't remember how I fixded it ;-): In file included from /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/VectorExpressionExport.cpp:35: In file included from /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/VectorVisitor.hpp:45: /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/NumPy.hpp:69:29: error: use of undeclared identifier 'NPY_FLOAT128' static const int Value = NPY_FLOAT128; ^
Should also be fixed, the python wrapper code will lead to many more errors I fear...
Yes thanks a lot it works now
Do you have a simple test to check if python is working on a dummy molecule like CCCO or whatever ? thanks Guillaume
Wow, didn't expect that we are already done, really great! In order to use the python wrapper you have to add '
For a quick test try:
import CDPL.Chem as Chem
Chem.parseSMILES('CCCCO')
ok it is not finished
Well, this is really bad now because I would need a Mac to nail down the problem :-/ Could you please try to execute one of the command line tools in the
(base) tgg@gvalwu01993 Shell % cd /Users/Shared/CDPKit/ (base) tgg@gvalwu01993 CDPKit % ls Bin Frameworks Include Libs Python (base) tgg@gvalwu01993 CDPKit % cd Bin (base) tgg@gvalwu01993 Bin % ls confgen genfraglib psdcreate psdinfo psdmerge psdscreen shapescreen structgen tautgen (base) tgg@gvalwu01993 Bin % confgen zsh: command not found: confgen (base) tgg@gvalwu01993 Bin % ./confgen dyld[62492]: Library not loaded: @rpath/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen Referenced from: <82E5E4C5-F61E-3D7B-A50F-118EDA22F8F8> /Users/Shared/CDPKit/Bin/confgen Reason: tried: '/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/../Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/../Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Volumes/Preboot/Cryptexes/OS@rpath/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/../Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Users/../Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/Library/Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file), '/System/Library/Frameworks/CDPL-ConfGen.framework/Versions/1.0/CDPL-ConfGen' (no such file, not in dyld cache) zsh: abort ./confgen (base) tgg@gvalwu01993 Bin % ./psdinfo dyld[62546]: Library not loaded: @rpath/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol Referenced from: <54BBB2B4-72AA-318D-9761-2D266424B664> /Users/Shared/CDPKit/Bin/psdinfo Reason: tried: '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/../Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/../Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Volumes/Preboot/Cryptexes/OS@rpath/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/../Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Users/../Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/Library/Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file), '/System/Library/Frameworks/CDPL-Biomol.framework/Versions/1.0/CDPL-Biomol' (no such file, not in dyld cache) zsh: abort ./psdinfo (base) tgg@gvalwu01993 Bin % ./tautgen dyld[62561]: Library not loaded: @rpath/CDPL-Chem.framework/Versions/1.0/CDPL-Chem Referenced from: <7CAA1B75-43AE-36BB-91BC-982E5942D41D> /Users/Shared/CDPKit/Bin/tautgen Reason: tried: '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/../Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/../Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Volumes/Preboot/Cryptexes/OS@rpath/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/../Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Volumes/Preboot/Cryptexes/OS/Users/tgg/miniforge3/envs/tf/lib/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Users/../Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/Library/Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file), '/System/Library/Frameworks/CDPL-Chem.framework/Versions/1.0/CDPL-Chem' (no such file, not in dyld cache) zsh: abort ./tautgen
Sad but I guess the journey ends here, sorry for that! This looks like the build systems needs a significant update/rewrite to make CDPKit installations work on current Macs. However, CDPKit does not need to be installed to be used, you can also directly use the binaries generated in the build directory (at least on Linux). This is one last option we could try. PYTHONPATH then needs to point to
Can you explain the wait I should do properly or better the build, you mean no need to make install only make a map the build dir correct ? I see that I need to define the build dir instead of the install dir, I will try this.
I will send you the logs of the install maybe it is related to one warning part that occurs almost everywhere ? I just rerun the make after a make clean
'make clean' is not necessary, just a simple 'make'. The problem is that the installed executable binaries cannot find the CDPL frameworks they are linked against. 10 years ago everything worked fine, but, as expected, MacOS X has changed since then which now causes the observed problems. If you use the binaries in the build directory the path to the linked against frameworks is hardcoded and thus they will be found. However, you cannot move the build directory to a different location because then the hardcoded paths become invalid, this is the downside here...
My logs
Le 15 mars 2023 à 14:21, Thomas Seidel @.***> a écrit :

'make clean' is not necessary, just a simple 'make'. The problem is that the installed executable binaries cannot find the CDPL frameworks they are linked against. 10 years ago everything worked fine, but, as expected, MacOS X has changed since then which now causes the observed problems. If you use the binaries in the build directory the path to the linked against frameworks is hardcoded and thus they will be found. However, you cannot move the build directory to a different location because then the hardcoded paths become invalid, this is the downside here...
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cd /Users/tgg/Downloads/CDPKit/build/Apps/CmdLine/Lib && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_CHRONO_DYN_LINK -DBOOST_CHRONO_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/Downloads/CDPKit/Apps/CmdLine/Lib -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Apps/CmdLine/Lib/CMakeFiles/cmdline-lib-static.dir/CmdLineBase.cpp.o -MF CMakeFiles/cmdline-lib-static.dir/CmdLineBase.cpp.o.d -o CMakeFiles/cmdline-lib-static.dir/CmdLineBase.cpp.o -c /Users/tgg/Downloads/CDPKit/Apps/CmdLine/Lib/CmdLineBase.cpp
Consolidate compiler generated dependencies of target cdpl-internal-static
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Internal/CMakeFiles/cdpl-internal-static.dir/build.make Libs/C++/Source/CDPL/Internal/CMakeFiles/cdpl-internal-static.dir/build
[ 1%] Building CXX object Libs/Python/CDPL/CMakeFiles/_cdpl.dir/VersionInfoExport.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_PYTHON_USE_GCC_SYMBOL_VISIBILITY -D_cdpl_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/Python/CDPL/CMakeFiles/_cdpl.dir/VersionInfoExport.cpp.o -MF CMakeFiles/_cdpl.dir/VersionInfoExport.cpp.o.d -o CMakeFiles/_cdpl.dir/VersionInfoExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/VersionInfoExport.cpp
Consolidate compiler generated dependencies of target cdpl-base-shared
Consolidate compiler generated dependencies of target cdpl-base-static
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/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Base/CMakeFiles/cdpl-base-static.dir/build.make Libs/C++/Source/CDPL/Base/CMakeFiles/cdpl-base-static.dir/build
make[2]: Nothing to be done for Libs/C++/Source/CDPL/Internal/CMakeFiles/cdpl-internal-static.dir/build'. make[2]: Nothing to be done for
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Consolidate compiler generated dependencies of target _math-impl
make[2]: Nothing to be done for Libs/C++/Source/CDPL/Base/CMakeFiles/cdpl-base-static.dir/build'. /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/build.make Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/build [ 1%] Built target cdpl-internal-static [ 2%] Built target cdpl-base-shared /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-shared.dir/build.make Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-shared.dir/depend /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-shared.dir/build.make Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-shared.dir/depend [ 2%] Built target cdpl-base-static /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/Python/CDPL/Base/CMakeFiles/_base.dir/build.make Libs/Python/CDPL/Base/CMakeFiles/_base.dir/depend cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Util /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Util /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-shared.dir/DependInfo.cmake --color= cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Math /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Math /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-shared.dir/DependInfo.cmake --color= cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Base /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Base /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Base/CMakeFiles/_base.dir/DependInfo.cmake --color= Consolidate compiler generated dependencies of target cdpl-math-shared /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-shared.dir/build.make Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-shared.dir/build make[2]: Nothing to be done for
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Consolidate compiler generated dependencies of target cdpl-util-shared
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[ 2%] Built target cdpl-math-shared
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/build.make Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/depend
[ 2%] Building CXX object Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/SparseMatrixExport.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Math && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_BIND_GLOBAL_PLACEHOLDERS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math -I/Users/tgg/miniforge3/envs/tf/lib/python3.9/site-packages/numpy/core/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/SparseMatrixExport.cpp.o -MF CMakeFiles/_math-impl.dir/SparseMatrixExport.cpp.o.d -o CMakeFiles/_math-impl.dir/SparseMatrixExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/SparseMatrixExport.cpp
cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Util /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Util /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/DependInfo.cmake --color=
[ 2%] Building CXX object Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/MatrixExport.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Math && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_BIND_GLOBAL_PLACEHOLDERS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math -I/Users/tgg/miniforge3/envs/tf/lib/python3.9/site-packages/numpy/core/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/MatrixExport.cpp.o -MF CMakeFiles/_math-impl.dir/MatrixExport.cpp.o.d -o CMakeFiles/_math-impl.dir/MatrixExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/MatrixExport.cpp
make[2]: Nothing to be done for Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-shared.dir/build'. Consolidate compiler generated dependencies of target _base /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/Python/CDPL/Base/CMakeFiles/_base.dir/build.make Libs/Python/CDPL/Base/CMakeFiles/_base.dir/build /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-static.dir/build.make Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-static.dir/depend [ 2%] Built target cdpl-util-shared /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/build.make Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/depend cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Math /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Math /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-static.dir/DependInfo.cmake --color= cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/DependInfo.cmake --color= Consolidate compiler generated dependencies of target cdpl-util-static /Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/build.make Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/build [ 2%] Building CXX object Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/CMatrixExport1.cpp.o cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Math && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_BIND_GLOBAL_PLACEHOLDERS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math -I/Users/tgg/miniforge3/envs/tf/lib/python3.9/site-packages/numpy/core/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/CMatrixExport1.cpp.o -MF CMakeFiles/_math-impl.dir/CMatrixExport1.cpp.o.d -o CMakeFiles/_math-impl.dir/CMatrixExport1.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Math/CMatrixExport1.cpp Consolidate compiler generated dependencies of target cdpl-math-static make[2]: Nothing to be done for
Libs/C++/Source/CDPL/Util/CMakeFiles/cdpl-util-static.dir/build'.
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-static.dir/build.make Libs/C++/Source/CDPL/Math/CMakeFiles/cdpl-math-static.dir/build
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[ 2%] Built target cdpl-util-static
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/Python/CDPL/Util/CMakeFiles/_util.dir/build.make Libs/Python/CDPL/Util/CMakeFiles/_util.dir/depend
cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Util /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Util /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Util/CMakeFiles/_util.dir/DependInfo.cmake --color=
[ 2%] Built target cdpl-math-static
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/build.make Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/depend
[ 2%] Building CXX object Libs/Python/CDPL/Base/CMakeFiles/_base.dir/DataIOBaseExport.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Base && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_PYTHON_USE_GCC_SYMBOL_VISIBILITY -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -D_base_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Base -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/Python/CDPL/Base/CMakeFiles/_base.dir/DataIOBaseExport.cpp.o -MF CMakeFiles/_base.dir/DataIOBaseExport.cpp.o.d -o CMakeFiles/_base.dir/DataIOBaseExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Base/DataIOBaseExport.cpp
cd /Users/tgg/Downloads/CDPKit/build && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_depends "Unix Makefiles" /Users/tgg/Downloads/CDPKit /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid /Users/tgg/Downloads/CDPKit/build /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target cdpl-grid-shared
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Consolidate compiler generated dependencies of target _util
/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/Python/CDPL/Util/CMakeFiles/_util.dir/build.make Libs/Python/CDPL/Util/CMakeFiles/_util.dir/build
[ 2%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/CDFDataWriter.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -Dcdpl_grid_shared_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/CDFDataWriter.cpp.o -MF CMakeFiles/cdpl-grid-shared.dir/CDFDataWriter.cpp.o.d -o CMakeFiles/cdpl-grid-shared.dir/CDFDataWriter.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid/CDFDataWriter.cpp
[ 2%] Building CXX object Libs/Python/CDPL/Util/CMakeFiles/_util.dir/BitSetExport.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Util && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_PYTHON_USE_GCC_SYMBOL_VISIBILITY -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -D_util_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Util -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/Python/CDPL/Util/CMakeFiles/_util.dir/BitSetExport.cpp.o -MF CMakeFiles/_util.dir/BitSetExport.cpp.o.d -o CMakeFiles/_util.dir/BitSetExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Util/BitSetExport.cpp
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/Applications/Xcode.app/Contents/Developer/usr/bin/make -f Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/build.make Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/build
[ 2%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/CDFRegularGridSetDataReader.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DCDPL_BASE_STATIC_LINK -DCDPL_GRID_STATIC_LINK -DCDPL_MATH_STATIC_LINK -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/CDFRegularGridSetDataReader.cpp.o -MF CMakeFiles/cdpl-grid-static.dir/CDFRegularGridSetDataReader.cpp.o.d -o CMakeFiles/cdpl-grid-static.dir/CDFRegularGridSetDataReader.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid/CDFRegularGridSetDataReader.cpp
[ 2%] Linking C static library libinchi-static.a
cd /Users/tgg/Downloads/CDPKit/build/External/LibInChI && /Users/tgg/miniforge3/envs/tf/bin/cmake -P CMakeFiles/inchi-static.dir/cmake_clean_target.cmake
cd /Users/tgg/Downloads/CDPKit/build/External/LibInChI && /Users/tgg/miniforge3/envs/tf/bin/cmake -E cmake_link_script CMakeFiles/inchi-static.dir/link.txt --verbose=1
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[ 4%] Building CXX object Libs/Python/CDPL/Math/CMakeFiles/_math-impl.dir/CMatrixExport2.cpp.o
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[ 5%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/CDFRegularGridSetDataWriter.cpp.o
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[ 5%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-static.dir/AttributedGridPropertyFunctions.cpp.o
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[ 5%] Building CXX object Libs/Python/CDPL/Util/CMakeFiles/_util.dir/BronKerboschAlgorithmExport.cpp.o
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[ 5%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/CDFDRegularGridSetReader.cpp.o
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[ 5%] Building CXX object Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/CDFDRegularGridSetWriter.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Grid && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -Dcdpl_grid_shared_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/C++/Source/CDPL/Grid/CMakeFiles/cdpl-grid-shared.dir/CDFDRegularGridSetWriter.cpp.o -MF CMakeFiles/cdpl-grid-shared.dir/CDFDRegularGridSetWriter.cpp.o.d -o CMakeFiles/cdpl-grid-shared.dir/CDFDRegularGridSetWriter.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Grid/CDFDRegularGridSetWriter.cpp
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cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Base && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_PYTHON_USE_GCC_SYMBOL_VISIBILITY -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -D_base_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Base -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/Python/CDPL/Base/CMakeFiles/_base.dir/FromPythonConverterRegistration.cpp.o -MF CMakeFiles/_base.dir/FromPythonConverterRegistration.cpp.o.d -o CMakeFiles/_base.dir/FromPythonConverterRegistration.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Base/FromPythonConverterRegistration.cpp
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[ 7%] Building CXX object Libs/C++/Source/CDPL/Chem/CMakeFiles/cdpl-chem-static.dir/Entity3DContainer.cpp.o
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cd /Users/tgg/Downloads/CDPKit/build/Libs/Python/CDPL/Util && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_PYTHON_USE_GCC_SYMBOL_VISIBILITY -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -D_util_EXPORTS -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/miniforge3/envs/tf/include/python3.9 -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL -I/Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Util -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -fPIC -std=gnu++11 -MD -MT Libs/Python/CDPL/Util/CMakeFiles/_util.dir/DGCoordinatesGeneratorExport.cpp.o -MF CMakeFiles/_util.dir/DGCoordinatesGeneratorExport.cpp.o.d -o CMakeFiles/_util.dir/DGCoordinatesGeneratorExport.cpp.o -c /Users/tgg/Downloads/CDPKit/Libs/Python/CDPL/Util/DGCoordinatesGeneratorExport.cpp
[ 8%] Building CXX object Libs/C++/Source/CDPL/Chem/CMakeFiles/cdpl-chem-static.dir/AtomContainer.cpp.o
cd /Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Chem && /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -DBOOST_ATOMIC_DYN_LINK -DBOOST_ATOMIC_NO_LIB -DBOOST_BIND_GLOBAL_PLACEHOLDERS -DBOOST_DATE_TIME_DYN_LINK -DBOOST_DATE_TIME_NO_LIB -DBOOST_FILESYSTEM_DYN_LINK -DBOOST_FILESYSTEM_NO_LIB -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_THREAD_DYN_LINK -DBOOST_THREAD_NO_LIB -DCDPL_BASE_STATIC_LINK -DCDPL_CHEM_STATIC_LINK -DCDPL_GRID_STATIC_LINK -DCDPL_MATH_STATIC_LINK -DCDPL_UTIL_STATIC_LINK -I/Users/tgg/Downloads/CDPKit/Libs/C++/Include -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source/CDPL/Chem -I/Users/tgg/Downloads/CDPKit/Libs/C++/Source -I/Users/tgg/Downloads/CDPKit/External -I/Users/tgg/Downloads/CDPKit/build/Libs/C++/Source/CDPL/Chem -isystem /Users/tgg/miniforge3/envs/tf/include -O3 -DNDEBUG -DCDPL_MATH_CHECKS_DISABLE -arch arm64 -isysroot /Applications/Xcode.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX13.1.sdk -std=gnu++11 -MD -MT Libs/C++/So
The output looks good! I am sure the problems arise from the RPATH settings in the built binaries. To be able to fix such issues in an efficient manner, I need a Mac at hand. I will see if I can get a Mac mini for testing purposes from the university. Until then the CDPKit build on Macs remains broken.... sorry!
Thanks Thomas, I understand hope you can have access soon to a Mac min.
BR
Guillaume Godin
Le 16 mars 2023 à 09:52, Thomas Seidel @.***> a écrit :
The output looks good! I am sure the problems arise from the RPATH settings in the built binaries. To be able to fix such issues in an efficient manner, I need a Mac at hand. I will see if I can get a Mac mini for testing purposes from the university. Until then the CDPKit build on Macs remains broken.... sorry!
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Good news: CDPKit now runs flawlessly on Macs (I tested on a M2 MacBook Air running Ventura, dependencies were installed via homebrew)!! Please check whether CDPKit also works on your Mac. To avoid any interference from a previous build make a fresh start with an empty build folder!
Can you provide instructions to install on M1 mac please ?
following the guide
make gives me this error
CDPKit/Libs/C++/Source/CDPL/Internal/StringDataIOUtilities.hpp:88:27: error: no member named 'setlocale' in namespace 'std'; did you mean simply 'setlocale'?