Open tdudgeon opened 7 years ago
The gist file no longer exists, so this could be closed. Also, the issue is so old that I guess the user managed to make it work.
brew install homebrew/cask/java
brew install rdkit --with-inchi --with-java
There might be a broken build of the java wrappers on Mac:
Last 15 lines from /Users/berenger/Library/Logs/Homebrew/rdkit/02.make:
^
src/org/RDKit/StringMolMap.java:98: error: incompatible types: Iterator cannot be converted to SWIGTYPE_p_std__mapT_std__string_boost__shared_ptrT_RDKit__ROMol_t_std__lessT_std__string_t_t__iterator
while (itr.isNot(end)) {
^
src/org/RDKit/StringMolMap.java:121: error: incompatible types: SWIGTYPE_p_std__mapT_std__string_boost__shared_ptrT_RDKit__ROMol_t_std__lessT_std__string_t_t__iterator cannot be converted to Iterator
itr = itr.getNextUnchecked();
^
src/org/RDKit/SubstructLibrary.java:43: error: incompatible types: byte cannot be converted to Short
vec.add(b[size]);
^
Note: Some messages have been simplified; recompile with -Xdiags:verbose to get full output
22 errors
make[2]: *** [Code/JavaWrappers/gmwrapper/org.RDKit.jar] Error 1
make[1]: *** [Code/JavaWrappers/gmwrapper/CMakeFiles/GraphMolWrapJar.dir/all] Error 2
make: *** [all] Error 2
# java --version
openjdk 12.0.2 2019-07-16
OpenJDK Runtime Environment (build 12.0.2+10)
OpenJDK 64-Bit Server VM (build 12.0.2+10, mixed mode, sharing)
# brew list swig
/usr/local/Cellar/swig/4.0.1/
Maybe the SWIG version is the problem?
Tim Dudgeon uses those cmake lines on Linux:
RUN cmake -Wno-dev\
-DPYTHON_EXECUTABLE=/usr/bin/python3\
-DRDK_INSTALL_INTREE=OFF\
-DRDK_BUILD_INCHI_SUPPORT=ON\
-DRDK_BUILD_AVALON_SUPPORT=ON\
-DRDK_BUILD_PYTHON_WRAPPERS=ON\
-DRDK_BUILD_SWIG_WRAPPERS=ON\
-DRDK_BUILD_PGSQL=ON\
-DPostgreSQL_ROOT=/usr/lib/postgresql/$POSTGRES_VERSION\
-DPostgreSQL_TYPE_INCLUDE_DIR=/usr/include/postgresql/$POSTGRES_VERSION/server\
-DCMAKE_INSTALL_PREFIX=/usr\
-DCPACK_PACKAGE_RELOCATABLE=OFF
There might be a broken build of the java wrappers on Mac:
Last 15 lines from /Users/berenger/Library/Logs/Homebrew/rdkit/02.make: ^ src/org/RDKit/StringMolMap.java:98: error: incompatible types: Iterator cannot be converted to SWIGTYPE_p_std__mapT_std__string_boost__shared_ptrT_RDKit__ROMol_t_std__lessT_std__string_t_t__iterator while (itr.isNot(end)) { ^ src/org/RDKit/StringMolMap.java:121: error: incompatible types: SWIGTYPE_p_std__mapT_std__string_boost__shared_ptrT_RDKit__ROMol_t_std__lessT_std__string_t_t__iterator cannot be converted to Iterator itr = itr.getNextUnchecked(); ^ src/org/RDKit/SubstructLibrary.java:43: error: incompatible types: byte cannot be converted to Short vec.add(b[size]); ^ Note: Some messages have been simplified; recompile with -Xdiags:verbose to get full output 22 errors make[2]: *** [Code/JavaWrappers/gmwrapper/org.RDKit.jar] Error 1 make[1]: *** [Code/JavaWrappers/gmwrapper/CMakeFiles/GraphMolWrapJar.dir/all] Error 2 make: *** [all] Error 2
meet the same problem
@tdudgeon @xrfinbupt you should ask the rdkit mailing list or open an issue in rdkit https://github.com/rdkit/rdkit/issues
Installing with the --with-java option does not work for me: https://gist.github.com/tdudgeon/5213f4b4342b298c26ad23296dd0871e With plain: brew install rdkit it works fine. This is on El Capitan 10.11.5