Pytest error when running tests/test_conf_gen.py with numpy 2.0

[danielhollas]

Just noting here an intermittent error while running tests locally, using numpy 2.0.2 and autode 1.4..4
I have not yet been able to reproduce the error.

❯ pytest 
========================================================== test session starts ===========================================================
platform linux -- Python 3.9.21, pytest-8.3.4, pluggy-1.5.0
rootdir: /home/hollas/software/autode
configfile: pyproject.toml
plugins: cov-5.0.0
collected 896 items                                                                                                                      

tests/test_atoms.py ........................                                                                                       [  2%]
tests/test_attack.py .                                                                                                             [  2%]
tests/test_bond_rearrangement.py ..................                                                                                [  4%]
tests/test_bracket/test_dhs.py ...........                                                                                         [  6%]
tests/test_bracket/test_ieip.py ....                                                                                               [  6%]
tests/test_bracket/test_imagepair.py ............                                                                                  [  7%]
tests/test_calculation.py .........................                                                                                [ 10%]
tests/test_comp_methods.py ..                                                                                                      [ 10%]
tests/test_complex.py ...........                                                                                                  [ 12%]
tests/test_conf_gen.py Fatal Python error: Aborted

Current thread 0x00007f6c0c1f76c0 (most recent call first):
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/multiprocessing/reduction.py", line 51 in dumps
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/multiprocessing/queues.py", line 244 in _feed
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 917 in run
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 980 in _bootstrap_inner
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 937 in _bootstrap

Thread 0x00007f6c0b9f66c0 (most recent call first):
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/selectors.py", line 416 in select
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/multiprocessing/connection.py", line 931 in wait
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/concurrent/futures/process.py", line 380 in wait_result_broken_or_wakeup
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/concurrent/futures/process.py", line 320 in run
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 980 in _bootstrap_inner
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 937 in _bootstrap

Thread 0x00007f6c81fa73c0 (most recent call first):
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/threading.py", line 312 in wait
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/concurrent/futures/_base.py", line 441 in result
  File "/home/hollas/software/autode/autode/species/molecule.py", line 218 in <listcomp>
  File "/home/hollas/software/autode/autode/species/molecule.py", line 218 in _generate_conformers
  File "/home/hollas/software/autode/autode/utils.py", line 373 in wrapped_function
  File "/home/hollas/software/autode/autode/species/molecule.py", line 237 in populate_conformers
  File "/home/hollas/software/autode/tests/test_conf_gen.py", line 58 in test_bcp_confs
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/python.py", line 159 in pytest_pyfunc_call
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_callers.py", line 103 in _multicall
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_manager.py", line 120 in _hookexec
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_hooks.py", line 513 in __call__
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/python.py", line 1627 in runtest
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 174 in pytest_runtest_call
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_callers.py", line 103 in _multicall
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_manager.py", line 120 in _hookexec
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_hooks.py", line 513 in __call__
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 242 in <lambda>
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 341 in from_call
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 241 in call_and_report
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 132 in runtestprotocol
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/runner.py", line 113 in pytest_runtest_protocol
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_callers.py", line 103 in _multicall
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_manager.py", line 120 in _hookexec
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_hooks.py", line 513 in __call__
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/main.py", line 362 in pytest_runtestloop
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_callers.py", line 103 in _multicall
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_manager.py", line 120 in _hookexec
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_hooks.py", line 513 in __call__
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/main.py", line 337 in _main
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/main.py", line 283 in wrap_session
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/main.py", line 330 in pytest_cmdline_main
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_callers.py", line 103 in _multicall
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_manager.py", line 120 in _hookexec
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/pluggy/_hooks.py", line 513 in __call__
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/config/__init__.py", line 175 in main
  File "/home/hollas/miniforge3/envs/mlptrain-gap/lib/python3.9/site-packages/_pytest/config/__init__.py", line 201 in console_main
  File "/home/hollas/miniforge3/envs/mlptrain-gap/bin/pytest", line 10 in <module>
Aborted (core dumped)