Install latest matflow on CSF, and configure correctly

[gcapes]

After installation, I get this when submitting a job

$ matflow go workflow.yaml 
ERROR matflow.persistence: batch update exception!
Traceback (most recent call last):
  File "/net/scratch2/mbexegc2/matflow-venv/bin/matflow", line 8, in <module>
    sys.exit(cli())
             ^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/click/core.py", line 1157, in __call__
    return self.main(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/click/core.py", line 1078, in main
    rv = self.invoke(ctx)
         ^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/click/core.py", line 1688, in invoke
    return _process_result(sub_ctx.command.invoke(sub_ctx))
                           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/click/core.py", line 1434, in invoke
    return ctx.invoke(self.callback, **ctx.params)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/click/core.py", line 783, in invoke
    return __callback(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/cli.py", line 156, in make_and_submit_workflow
    out = app.make_and_submit_workflow(
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/app.py", line 280, in <lambda>
    return lambda *args, **kwargs: func(*args, **kwargs)
                                   ^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/app.py", line 1403, in _make_and_submit_workflow
    submitted_js = wk.submit(
                   ^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/core/workflow.py", line 2209, in submit
    exceptions, submitted_js = self._submit(
                               ^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/log.py", line 25, in wrapper
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/core/workflow.py", line 2131, in _submit
    self._store._pending.commit_all()
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/log.py", line 25, in wrapper
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/persistence/pending.py", line 133, in commit_all
    getattr(self, meth)()
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/log.py", line 25, in wrapper
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/persistence/pending.py", line 304, in commit_EAR_submission_indices
    self.store._update_EAR_submission_indices(self.set_EAR_submission_indices)
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/log.py", line 25, in wrapper
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/hpcflow/sdk/persistence/zarr.py", line 615, in _update_EAR_submission_indices
    arr[EAR_ID_i] = new_EAR_i.encode(attrs, self.ts_fmt)
    ~~~^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 1452, in __setitem__
    self.set_basic_selection(pure_selection, value, fields=fields)
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 1548, in set_basic_selection
    return self._set_basic_selection_nd(selection, value, fields=fields)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 1938, in _set_basic_selection_nd
    self._set_selection(indexer, value, fields=fields)
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 2011, in _set_selection
    self._chunk_setitems(lchunk_coords, lchunk_selection, chunk_values, fields=fields)
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 2202, in _chunk_setitems
    cdatas = {
             ^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 2203, in <dictcomp>
    key: self._process_for_setitem(key, sel, val, fields=fields)
         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/net/scratch2/mbexegc2/matflow-venv/lib/python3.11/site-packages/zarr/core.py", line 2285, in _process_for_setitem
    chunk = value.astype(self._dtype, order=self._order, copy=False)
            ^^^^^^^^^^^^
AttributeError: 'list' object has no attribute 'astype'

[gcapes]

Latest matflow fixes this - it's a bug in the latest version of zarr.
zarr-developers/zarr-python#1874

However, I get an error on CSF3 that I don't get locally. I have separate python venvs for matflow and the actual workflow on CSF, whereas they're combined locally, however previously I've just used a matflow 'central' installation that's on my PATH so I don't think having matflow installed in your venv is a requirement.

$ cat js_0.sh.e4951658 
Traceback (most recent call last):
  File "/net/scratch2/mbexegc2/Abaqus_bayesian_matflow/temp/execute/task_0_generate_input_file/e_0/r_0/generate_input_file.py", line 74, in <module>
    import matflow as app
ModuleNotFoundError: No module named 'matflow'

[aplowman]

Currently, you do need matflow in the task environment.