RDKit.DotNetWrap package didn't receive updates for a few years and probably won't. So, I attempt to reproduce build instructions from here in my fork.

I bumped all versions and ran the build without results because of the missing boost library. After I built the exact version from the instructions and after a successful build, I noticed the difference between these two versions. In a late version, the CONFIG option was added to the find_package command. After patching all CMakeLists.txt that contains this command and proper renaming of Boost flags, I successfully built the .sln file with this cmake command.

cmake D:/repos/build-rdkit-2024/rdkit-Release_2024_09_2 -Wdev -G"Visual Studio 17 2022" -AWin32 -DRDK_BUILD_SWIG_WRAPPERS=ON -DRDK_BUILD_SWIG_CSHARP_WRAPPER=ON -DRDK_BUILD_SWIG_JAVA_WRAPPER=OFF -DRDK_BUILD_PYTHON_WRAPPERS=OFF -DBOOST_ROOT=D:/repos/build-rdkit-2024/boost_1_86_0 -DBOOST_INCLUDEDIR=D:/repos/build-rdkit-2024/boost_1_86_0 -DBoost_INCLUDE_DIR=D:/repos/build-rdkit-2024/boost_1_86_0 -DBOOST_LIBRARY_DIRS=D:/repos/build-rdkit-2024/boost_1_86_0/lib32-msvc-14.3 -DEIGEN3_INCLUDE_DIR=D:/repos/build-rdkit-2024/eigen-3.4.0 -DZLIB_LIBRARY="D:/repos/build-rdkit-2024/zlib-1.3.1/buildx86/Release/zlib.lib" -DZLIB_INCLUDE_DIR="D:/repos/build-rdkit-2024/zlib-1.3.1" -DZLIB_LIBRARIES="D:/repos/build-rdkit-2024/zlib-1.3.1/buildx86/Release/zlib.lib" -DZLIB_INCLUDE_DIRS="D:/repos/build-rdkit-2024/zlib-1.3.1" -DCAIRO_INCLUDE_DIRS=D:/repos/build-rdkit-2024/cairo-1.16.0/src -DCAIRO_LIBRARIES=D:/repos/build-rdkit-2024/cairo-1.16.0/vc2017/Win32/Release/cairo.lib -DRDK_INSTALL_INTREE=ON -DRDK_BUILD_CPP_TESTS=OFF -DRDK_USE_BOOST_SERIALIZATION=ON -DRDK_USE_BOOST_IOSTREAMS=ON -DRDK_USE_BOOST_REGEX=ON -DBoost_NO_BOOST_CMAKE=ON -DRDK_BUILD_COORDGEN_SUPPORT=ON -DRDK_BUILD_MAEPARSER_SUPPORT=ON -DRDK_OPTIMIZE_POPCNT=ON -DRDK_BUILD_FREESASA_SUPPORT=ON -DRDK_BUILD_CAIRO_SUPPORT=ON -DRDK_BUILD_FREETYPE_SUPPORT=ON -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_INCHI_SUPPORT=ON -DRDK_BUILD_AVALON_SUPPORT=ON -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_TEST_GZIP=OFF -DRDK_USE_URF=ON -DRDK_SWIG_STATIC=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_INSTALL_DLLS_MSVC=ON -DFREETYPE_LIBRARY=D:/repos/build-rdkit-2024/freetype-2.10.4/objs/Win32/Release/freetype.lib -DFREETYPE_INCLUDE_DIRS=D:/repos/build-rdkit-2024/freetype-2.10.4/include

But on the sln file build stage, I got another error.

MSBuild RDKit.sln /p:Configuration=Release,Platform=Win32 /maxcpucount

Error

154>D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\Code\JavaWrappers\csharp_wrapper..\MolSupplier.i(73): error : Extraneous #endif. [D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\Code\JavaWrappers\csharp_wrapper\RDKFuncs.vcxproj] The system cannot find the batch label specified - VCEnd 154>C:\Program Files\Microsoft Visual Studio\2022\Community\MSBuild\Microsoft\VC\v170\Microsoft.CppCommon.targets(237,5): error MSB8066: Custom build for 'D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\Code\JavaWrappers\csharp_wrapper\GraphMolCSharp.i' exited with code 1. [D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\Code\JavaWrappers\csharp_wrapper\RDKFuncs.vcxproj] 154>Done Building Project "D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\Code\JavaWrappers\csharp_wrapper\RDKFuncs.vcxproj" (default targets) -- FAILED. 65>Done Building Project "D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\Code\JavaWrappers\csharp_wrapper\RDKFuncs.vcxproj.metaproj" (default targets) -- FAILED. 2>Done Building Project "D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\ALL_BUILD.vcxproj.metaproj" (default targets) -- FAILED. 1>Done Building Project "D:\repos\build-rdkit-2024\rdkit-Release_2024_09_2\buildwinx86CSharp\RDKit.sln" (default targets) -- FAILED.

As described in traceback SWIG interface MolSupplier.i has two #endif lines.

#ifdef RDK_USE_BOOST_IOSTREAMS
%extend RDKit::v1::ForwardSDMolSupplier {
    ForwardSDMolSupplier(RDKit::gzstream *strm, bool sanitize=true, bool removeHs = true,
                  bool strictParsing = true) {
    const bool takeOwnership = false;
    RDKit::ForwardSDMolSupplier*foo = new RDKit::ForwardSDMolSupplier(
                                     (std::istream*)strm,
                                     takeOwnership,
                                     sanitize, removeHs, strictParsing);
    PRECONDITION(!foo->atEnd(), "LDJKLJF");
    return foo;
  }
};
#endif
#endif

I'm not a pro in C++ and especially SWIG-builds, so I don't know why I have such behavior. I don't understand why ForwardSDMolSupplier.cpp on this stage (or another header of the cpp file) generates breaking #endif construction, but I think it could affect Java wrapper as well.

Also, it reproduces in Ubuntu (WSL).

Configuration:

• RDKit version: 2024.09.2
• Swig 4.2.1
• OS: Windows/ Ubuntu (WSL)
• Python version (if relevant): 3.12
• Are you using conda? no