Error when installing on Windows 11

[salvogalati]

Hi,
I am experiencing problems using FpSim2 on Windows 11. After installing the library, I try to import it and the command-line python crashes without giving any error. I tried using the faulthandler library to see a possible error log (which I send you below). I have tried several times to remove and install the library but with no different results.
I would like to know how to solve the problem.

`Current thread 0x0000299c (most recent call first):
File "", line 241 in _call_with_frames_removed
File "", line 1176 in create_module
File "", line 571 in module_from_spec
File "", line 674 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\chem.py", line 2 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\backends\pytables.py", line 3 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\backends_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\FPSim2.py", line 3 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 1 in
Fatal Python error: Illegal instruction

Current thread 0x0000299c (most recent call first):
File "", line 241 in _call_with_frames_removed
File "", line 1176 in create_module
File "", line 571 in module_from_spec
File "", line 674 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\chem.py", line 2 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\backends\pytables.py", line 3 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io\backends_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\io_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 241 in _call_with_frames_removed
File "", line 992 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2\FPSim2.py", line 3 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in find_and_load
File "C:\Users\Salvo\anaconda3\envs\prova\lib\site-packages\FPSim2_init.py", line 1 in
File "", line 241 in _call_with_frames_removed
File "", line 883 in exec_module
File "", line 688 in _load_unlocked
File "", line 1006 in _find_and_load_unlocked
File "", line 1027 in _find_and_load
File "", line 1 in

Extension modules: rdkit.rdBase, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, rdkit.DataStructs.cDataStructs (total: 15)`

[eloyfelix]

Hi, sorry for the slow reply. I've just created a new version (0.5.2) and the CI passes for the windows builds. Could you please try now?

I'm closing the ticket but feel free to reopen if issues persist.

[salvogalati]

Hi I checked by installing and running the new release. The problem persists

[eloyfelix]

Hi, are you installing with conda? The latest package is not in conda-forge yet so it might be a reason for it to fail? Can you confirm the version you have installed?

I'm a bit puzzled since the tests pass for windows

if using conda... could you please uninstall the package and install it using pip? pip install fpsim2==0.5.2