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omnia-md / conda-recipes

conda build recipes for the Omnia project
http://omnia.md
MIT License
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Building forcebalance for python 3.7 #924

Open jchodera opened 5 years ago

jchodera commented 5 years ago

We're having some trouble building the forcebalance 1.5.5 package for Python 3.7.

Currently, the build fails with this message:

gcc -pthread -shared -Wl,-rpath,/opt/conda/conda-bld/forcebalance_1544321522947/_b_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib -L/opt/conda/conda-bld/forcebalance_1544321522947/_b_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib -fuse-linker-plugin -ffat-lto-objects -flto-partition=none -g -Wl,-rpath,/opt/conda/conda-bld/forcebalance_1544321522947/_b_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib -L/opt/conda/conda-bld/forcebalance_1544321522947/_b_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_/lib build/temp.linux-x86_64-3.7/ext/molfile_plugin/dcdplugin_s.o -lm -o build/lib.linux-x86_64-3.7/forcebalance/_dcdlib.cpython-37m-x86_64-linux-gnu.so
gcc: error: -fuse-linker-plugin is not supported in this configuration
error: command 'gcc' failed with exit status 1

@j-wags @leeping: Any ideas what might be going on? Perhaps we just need to pin a gcc version in the recipe?

leeping commented 5 years ago

Hi John,

Thanks. I honestly have no idea what's happening. I don't remember that compiler flag being important in building that part of the module. The very long path with placehold_placehold_... looks suspicious, because I see no such thing when I install ForceBalance locally (using conda or setup.py), but it might also be unrelated. I also see that the log involves building and installing several packages in the omnia repo and I wonder if that might be related.

Is there any way I could try to reproduce the problem on my end?

Thanks,