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Bump awb to 2.1.0a0 #523

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merged 3 commits into from
Oct 22, 2023
Merged

Bump awb to 2.1.0a0 #523

merged 3 commits into from
Oct 22, 2023

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unkcpz
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@unkcpz unkcpz commented Oct 21, 2023

Fix the failed test by set the code dropdown from code uuid.

unkcpz
unkcpz commented Oct 21, 2023
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tests/conftest.py
"projwfc"
].code_select_dropdown.options[projwfc_code.full_label]

app.submit_step.pw_code.value = pw_code.uuid
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The fixture is a code node, there is no need to get the uuid from the option.

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codecov bot commented Oct 21, 2023 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (7493d26) 78.92% compared to head (11d0f6c) 78.92%.

Additional details and impacted files 
@@           Coverage Diff           @@
##             main     #523   +/-   ##
=======================================
  Coverage   78.92%   78.92%           
=======================================
  Files          45       45           
  Lines        3213     3213           
=======================================
  Hits         2536     2536           
  Misses        677      677
Flag Coverage Δ
python-3.10 78.92% <100.00%> (ø)
python-3.8 78.97% <100.00%> (ø)
python-3.9 78.97% <100.00%> (ø)

Flags with carried forward coverage won't be shown. Click here to find out more.

Files Coverage Δ
src/aiidalab_qe/app/submission/__init__.py 79.33% <100.00%> (ø)
src/aiidalab_qe/common/setup_pseudos.py 43.47% <100.00%> (ø)
tests/conftest.py 96.16% <100.00%> (ø)
tests/test_plugins_bands.py 100.00% <ø> (ø)

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unkcpz commented Oct 21, 2023

The image build test failed because the exception below:

++ python -m aiidalab_qe install-qe                                                                                                                                                                                                           
Traceback (most recent call last):                                                                                     
  File "/opt/conda/lib/python3.9/runpy.py", line 197, in _run_module_as_main                                           
    return _run_code(code, main_globals, None,                                                                         
  File "/opt/conda/lib/python3.9/runpy.py", line 87, in _run_code                                                      
    exec(code, run_globals)                                                                                            
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/__main__.py", line 6, in <module>                           
    from aiidalab_qe.app.submission.sssp import install as setup_sssp                                                  
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/app/__init__.py", line 3, in <module>                       
    from .main import App                                                                                              
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/app/main.py", line 14, in <module>                                                                                                                                                 
    from aiidalab_qe.app.submission import SubmitQeAppWorkChainStep                                                    
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/app/submission/__init__.py", line 21, in <module>                                                                                                                                  
    from aiidalab_qe.workflows import QeAppWorkChain                                                                   
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/workflows/__init__.py", line 42, in <module>                
    plugin_entries = get_entry_items("aiidalab_qe.properties", "workchain")                                            
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/workflows/__init__.py", line 34, in get_entry_items         
    entries = get_entries(entry_point_name)                                                                                                                                                                                                   
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/workflows/__init__.py", line 27, in get_entries                                                                                                                                    
    entries[entry_point.name] = entry_point.load()                                                                                                                                                                                            
  File "/opt/conda/lib/python3.9/site-packages/importlib_metadata/__init__.py", line 207, in load                      
    module = import_module(match.group('module'))                                                                      
  File "/opt/conda/lib/python3.9/importlib/__init__.py", line 127, in import_module                                    
    return _bootstrap._gcd_import(name[level:], package, level)                                                        
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_qe/plugins/pdos/__init__.py", line 15, in <module>             
    dos_code = ComputationalResourcesWidget(                                                                                                                                                                                                  
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 112, in __init__                                                                                                                       
    self.resource_setup = _ResourceSetupBaseWidget(                                                                    
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 1632, in __init__                                                                                                                      
    self.aiida_code_setup = AiidaCodeSetup()                                                                                                                                                                                                  
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 1085, in __init__                                                                                                                      
    self.computer = ComputerDropdownWidget()                                                                           
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 1328, in __init__                                                                                                                      
    self.refresh()                                                                                                     
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 1348, in refresh                                                                                                                       
    self._dropdown.options = self._get_computers()                                                                     
  File "/opt/conda/lib/python3.9/site-packages/aiidalab_widgets_base/computational_resources.py", line 1335, in _get_computers                                                                                                                
    user = orm.User.collection.get_default()                                                                           
  File "/opt/conda/lib/python3.9/site-packages/aiida/common/lang.py", line 99, in __get__                              
    return self.getter(owner)                                                                                                                                                                                                                 
  File "/opt/conda/lib/python3.9/site-packages/aiida/orm/entities.py", line 184, in collection                         
    return cls._CLS_COLLECTION.get_cached(cls, get_manager().get_profile_storage())                                                                                                                                                           
  File "/opt/conda/lib/python3.9/site-packages/aiida/manage/manager.py", line 242, in get_profile_storage              
    raise ConfigurationError(                                                                                          
aiida.common.exceptions.ConfigurationError: Could not determine the current profile. Consider loading a profile using `aiida.load_profile()`.

I think it is caused by the load_profile() is not run in the package scope aiidalab/aiidalab-widgets-base#481.

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unkcpz commented Oct 21, 2023

Okay, problem solved by 1) move the pseudo install modules out to aiidalab_qe/common. 2) run load_profile explicitly in install_pseudo and install_qe functions which are called from the command (python -m aiidalab-qe install-qe) to pre-install the pseudo and QE.

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unkcpz commented Oct 21, 2023 •
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@superstar54 please have a look when you find time next week, this PR is ready. It blocks the #519

@unkcpz unkcpz mentioned this pull request Oct 21, 2023
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superstar54 approved these changes Oct 22, 2023
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thanks. LGTM!

@unkcpz unkcpz merged commit 4f505af into main Oct 22, 2023
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@unkcpz unkcpz deleted the bump/awb-210a0 branch October 22, 2023 06:33
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