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pyiron / pylammpsmpi

Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook
https://pylammpsmpi.readthedocs.io
BSD 3-Clause "New" or "Revised" License
30 stars 4 forks source link

Try Python 3.10 #74

Closed jan-janssen closed 2 years ago

jan-janssen commented 3 years ago

At least LAMMPS is still missing for Python 3.10

jan-janssen commented 3 years ago

Lammps is waiting for https://github.com/conda-forge/quippy-feedstock/pull/9

jan-janssen commented 3 years ago

The corresponding pull request is merged - I just wait for the packages to become available on conda-forge

jan-janssen commented 3 years ago 
======================================================================
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ERROR: setUpClass (test_pylammpsmpi_cluster.TestLocalLammpsLibrary)
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Traceback (most recent call last):
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  File "/home/runner/work/pylammpsmpi/pylammpsmpi/tests/test_pylammpsmpi_cluster.py", line 18, in setUpClass
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    cls.lmp = LammpsLibrary(cores=2, mode='dask', client=client)
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  File "/home/runner/work/pylammpsmpi/pylammpsmpi/pylammpsmpi/lammps_wrapper.py", line 40, in __init__
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    fut = self.lmp.start_process()
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  File "/usr/share/miniconda/envs/test/lib/python3.10/site-packages/distributed/actor.py", line 171, in func
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    q = asyncio.Queue(loop=self._io_loop.asyncio_loop)
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  File "/usr/share/miniconda/envs/test/lib/python3.10/asyncio/queues.py", line 33, in __init__
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    super().__init__(loop=loop)
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  File "/usr/share/miniconda/envs/test/lib/python3.10/asyncio/mixins.py", line 17, in __init__
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    raise TypeError(
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TypeError: As of 3.10, the *loop* parameter was removed from Queue() since it is no longer necessary
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----------------------------------------------------------------------
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Ran 6 tests in 1.109s
jan-janssen commented 3 years ago

It is an issue with the distributed package https://github.com/dask/distributed/issues/5350