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rdkit / homebrew-rdkit

Homebrew formula for rdkit
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Update to Release_2020_03_4 #92

Closed waltonseymour closed 4 years ago

waltonseymour commented 4 years ago

Updates to most recent release of rdkit. https://github.com/rdkit/rdkit/releases/tag/Release_2020_03_4

UnixJunkie commented 4 years ago

does it work on a Mac?

UnixJunkie commented 4 years ago 
[ 18%] Built target coordgen
make[1]: *** [Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/all] Error 2
[ 18%] Linking CXX shared module ../../../rdkit/rdBase.so
cd /tmp/rdkit-20200708-11720-143tsj2/rdkit-Release_2020_03_4/Code/RDBoost/Wrap && /usr/local/Cellar/cmake/3.17.3/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
/usr/local/Homebrew/Library/Homebrew/shims/mac/super/clang++ -std=c++11 -stdlib=libc++ -Wno-parentheses -Wno-logical-op-parentheses -Wno-format -mpopcnt -Wall -Wextra -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wno-format -Wno-logical-op-parentheses -fPIC -stdlib=libc++ -DNDEBUG -isysroot /Library/Developer/CommandLineTools/SDKs/MacOSX10.14.sdk -bundle -Wl,-headerpad_max_install_names -bundle -undefined dynamic_lookup -isysroot /Library/Developer/CommandLineTools/SDKs/MacOSX10.14.sdk -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  -Wl,-rpath,/tmp/rdkit-20200708-11720-143tsj2/rdkit-Release_2020_03_4/lib ../../../lib/libRDKitRDBoost.2020.03.4.dylib /usr/local/lib/libboost_python3.dylib /usr/local/lib/libboost_serialization-mt.dylib ../../../lib/libRDKitRDGeneral.2020.03.4.dylib 
[ 18%] Built target rdBase
make: *** [all] Error 2
UnixJunkie commented 4 years ago

Ok, after another trial on a Mac; it does work. Thanks.

UnixJunkie commented 4 years ago

The Travis CI tests are there (despite github doesn't show us anymore): https://travis-ci.org/github/rdkit/homebrew-rdkit/jobs/706062116 https://travis-ci.org/github/rdkit/homebrew-rdkit/jobs/706062117 I tested locally and did not wait for Travis.