Polaris restart fw

[rayhe88]

I have updated the way we map tasks on each node for ALCF machines. Each task runs on a different FWorker, and each FWorker is associated with a node. This is available for multilauncher. The optimal approach is to set num_jobs to the number of nodes.

Additionally, I have added functionality to use PWDFT, including the calculator and related functions.

[sakim8048]

will add self.machine in main.py:
when machine="alcf" then it will follow alcf restart mode.

[codecov-commenter]

Codecov Report

Attention: 431 lines in your changes are missing coverage. Please review.

Comparison is base (ed98fc2) 51.97% compared to head (f731ba7) 46.60%.

Files	Patch %	Lines
pynta/ase_pwdft/pwdftio/pwdftwriter.py	10.62%	185 Missing ⚠️
pynta/multi_launcher.py	18.00%	82 Missing ⚠️
pynta/main.py	31.25%	55 Missing ⚠️
pynta/ase_pwdft/pwdftio/pwdftreader.py	18.42%	31 Missing ⚠️
pynta/utils.py	15.62%	27 Missing ⚠️
pynta/polaris.py	18.51%	22 Missing ⚠️
pynta/ase_pwdft/pwdft.py	60.71%	11 Missing ⚠️
pynta/tasks.py	65.62%	11 Missing ⚠️
pynta/ase_pwdft/setup.py	0.00%	5 Missing ⚠️
pynta/ase_pwdft/pwdftio/pwdftreader_in.py	83.33%	1 Missing ⚠️
... and 1 more

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Additional details and impacted files

@@            Coverage Diff             @@
##           master      #36      +/-   ##
==========================================
- Coverage   51.97%   46.60%   -5.38%     
==========================================
  Files          12       21       +9     
  Lines        3032     3566     +534     
==========================================
+ Hits         1576     1662      +86     
- Misses       1456     1904     +448     

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