improve SGE system

[thangckt]

• add new key sge_pe_name into resources
• allow customized_script_header_template in SGE system
• ...

Summary by CodeRabbit

• New Features

  • Enhanced PBS script header generation with updated job name, node selection, and custom script headers.

• Bug Fixes

  • Corrected shell script sourcing commands in test scripts by removing unnecessary double curly braces.

• Improvements

  • Simplified source file handling in job submission scripts.
  • Added support for SGE parallel environment names in resource configurations.

[coderabbitai]

Walkthrough

The recent changes primarily focus on refining script generation and resource management within the dpdispatcher package. Key updates include simplifying source file handling, modifying job name and resource directives in PBS scripts, and enhancing the Resources class with new parameters for SGE parallel environment names. Additionally, test files have been updated to align with these changes, ensuring consistency and correctness in script generation and resource allocation.

Changes

File(s)	Change Summary
dpdispatcher/machine.py	Simplified source file handling in gen_script_env method by removing intermediate variable.
dpdispatcher/machines/pbs.py	Modified PBS script header generation, job name, node selection, and queue handling. Added custom script header logic and script execution commands.
dpdispatcher/submission.py	Added sge_pe_name parameter to Resources class and updated related methods.
tests/sample_class.py	Updated get_sample_resources and get_sample_resources_dict functions to include sge_pe_name parameter.
tests/test_argcheck.py	Added sge_pe_name key in test setup dictionary for resource allocation.
tests/test_lsf_script_generation.py	Removed double curly braces around source commands in test_shell_trival function.

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[coderabbitai]

Actionable comments posted: 1

[thangckt]

@njzjz

[codecov]

Codecov Report

Attention: Patch coverage is 41.17647% with 10 lines in your changes missing coverage. Please review.

Project coverage is 47.50%. Comparing base (20a872d) to head (09a17a8).
Report is 20 commits behind head on master.

Files with missing lines	Patch %	Lines
dpdispatcher/machines/pbs.py	37.50%	10 Missing ⚠️

❗ There is a different number of reports uploaded between BASE (20a872d) and HEAD (09a17a8). Click for more details.

HEAD has 6 uploads less than BASE

Flag	BASE (20a872d)	HEAD (09a17a8)
	15	9

Additional details and impacted files

@@             Coverage Diff             @@
##           master     #446       +/-   ##
===========================================
- Coverage   60.03%   47.50%   -12.54%     
===========================================
  Files          39       39               
  Lines        3826     3840       +14     
===========================================
- Hits         2297     1824      -473     
- Misses       1529     2016      +487     

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