conda-forge / rdkit-feedstock

A conda-smithy repository for rdkit.
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rdkit v2019.03.3 #34

Closed regro-cf-autotick-bot closed 5 years ago

regro-cf-autotick-bot commented 5 years ago

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conda-forge-linter commented 5 years ago

Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe) and found it was in an excellent condition.

mcs07 commented 5 years ago

Mac builds are failing. First error:

[ 41%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
In file included from /usr/local/miniconda/conda-bld/rdkit_1561541001163/work/Code/GraphMol/MolTransforms/MolTransforms.cpp:10:
In file included from /usr/local/miniconda/conda-bld/rdkit_1561541001163/work/Code/GraphMol/MolTransforms/MolTransforms.h:18:
In file included from /usr/local/miniconda/conda-bld/rdkit_1561541001163/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placeho/include/eigen3/Eigen/Dense:1:
In file included from /usr/local/miniconda/conda-bld/rdkit_1561541001163/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placeho/include/eigen3/Eigen/Core:198:
/usr/local/miniconda/conda-bld/rdkit_1561541001163/_build_env/bin/../lib/clang/4.0.1/include/pmmintrin.h:45:19: error: unknown type name '__m128i'; did you mean '__m128'?
static __inline__ __m128i __DEFAULT_FN_ATTRS
                  ^
/usr/local/miniconda/conda-bld/rdkit_1561541001163/_build_env/bin/../lib/clang/4.0.1/include/xmmintrin.h:31:15: note: '__m128' declared here
typedef float __m128 __attribute__((__vector_size__(16)));

Maybe a SSE or AVX2 hardware support issue on Azure pipelines? RDK_OPTIMIZE_NATIVE=OFF might fix it but would be a shame to have to do.

pstjohn commented 5 years ago

🤷‍♂ Looks like it might also be a clang issue not picking up the right libraries. A quick search brought up a couple projects with similar issues: google/pik#29 facebook/folly#451

pstjohn commented 5 years ago

any idea what was causing the previous failures? what changed?

mcs07 commented 5 years ago

No idea, hopefully just a CI issue