Thank you so much developers for sharing the code, which helps me quite a lot for jumping into ML-potential researches!
Short description
This modification allows us to use pacemaker also in MacOS.
Long description
When I installed pyace in MacOS and tried to use pacemaker, I got the following error message;
% pacemaker -t
Traceback (most recent call last):
File "/Users/ikeda/miniconda3/envs/myenv/bin/pacemaker", line 26, in <module>
from pyace.generalfit import GeneralACEFit
File "/Users/ikeda/miniconda3/envs/myenv/lib/python3.10/site-packages/pyace/__init__.py", line 9, in <module>
from pyace.asecalc import PyACECalculator, PyACEEnsembleCalculator
File "/Users/ikeda/miniconda3/envs/myenv/lib/python3.10/site-packages/pyace/asecalc.py", line 7, in <module>
from pyace.basis import ACEBBasisSet, ACECTildeBasisSet, BBasisConfiguration
ImportError: dlopen(/Users/ikeda/miniconda3/envs/myenv/lib/python3.10/site-packages/pyace/basis.cpython-310-darwin.so, 0x0002): Library not loaded: @rpath/libyaml-cpp-pace.0.6.dylib
Referenced from: <525B2942-D3A8-351C-8B10-03BD3B9A7E08> /Users/ikeda/miniconda3/envs/myenv/lib/python3.10/site-packages/pyace/basis.cpython-310-darwin.so
Reason: tried: '$ORIGIN/libyaml-cpp-pace.0.6.dylib' (no such file), '$ORIGIN/libyaml-cpp-pace.0.6.dylib' (no such file), '/Users/ikeda/miniconda3/envs/myenv/bin/../lib/libyaml-cpp-pace.0.6.dylib' (no such file), '/Users/ikeda/miniconda3/envs/myenv/bin/../lib/libyaml-cpp-pace.0.6.dylib' (no such file), '/System/Volumes/Preboot/Cryptexes/OS@rpath/libyaml-cpp-pace.0.6.dylib' (no such file), '$ORIGIN/libyaml-cpp-pace.0.6.dylib' (no such file), '$ORIGIN/libyaml-cpp-pace.0.6.dylib' (no such file), '/Users/ikeda/miniconda3/envs/myenv/bin/../lib/libyaml-cpp-pace.0.6.dylib' (no such file), '/Users/ikeda/miniconda3/envs/myenv/bin/../lib/libyaml-cpp-pace.0.6.dylib' (no such file), '/usr/local/lib/libyaml-cpp-pace.0.6.dylib' (no such file), '/usr/lib/libyaml-cpp-pace.0.6.dylib' (no such file, not in dyld cache)
In a Linux system, I did not get the error above.
After a bit of surveys and trials, I realized that giving @loader_path instead of $ORIGIN to CMAKE_INSTALL_RPATH in setup.py (or maybe equivalently in CMakeLists.txt) for MacOS solves the issue.
I am honestly not very familiar with cmake and pybind11 and cannot tell clearly why the above worked, but this may be not super unreasonable (https://stackoverflow.com/q/53428219).
Thank you so much developers for sharing the code, which helps me quite a lot for jumping into ML-potential researches!
Short description
This modification allows us to use
pacemakeralso in MacOS.Long description
When I installed
pyacein MacOS and tried to usepacemaker, I got the following error message;In a Linux system, I did not get the error above.
After a bit of surveys and trials, I realized that giving
@loader_pathinstead of$ORIGINtoCMAKE_INSTALL_RPATHinsetup.py(or maybe equivalently inCMakeLists.txt) for MacOS solves the issue.I am honestly not very familiar with cmake and pybind11 and cannot tell clearly why the above worked, but this may be not super unreasonable (https://stackoverflow.com/q/53428219).