feat: add PyHPS CLI

[germa89]

As the title.

The idea is you can have:

$ pymapdl submit main_file.py 
$ pymapdl submit --name="my project" main_file.py --requirements_file=requirements.txt

The help shows:

(venv) pymapdl $ pymapdl submit --help
Usage: pymapdl submit [OPTIONS] MAIN_FILE

  Submit jobs to an HPC cluster using PyHPS package.

Options:
  --name TEXT                 Name of the PyHPS project to be created.
  --url TEXT                  URL where the HPS cluster is deployed. For
                              example: "https://myserver:3000/hps"
  --user TEXT                 Username to login into the HPC cluster.
  --password TEXT             Password used to login into the HPC cluster.
  --python TEXT               Set python version to be used to create the
                              virtual environment and run the python file. By
                              default it uses python3 (default in cluster).
  --output_files TEXT         Set the output files to be monitored.
  --shell_file TEXT           If desired, you can provide a shell script to
                              execute instead of the python file. You can call
                              your python file from it if you wish. By
                              default, it is not used.
  --requirements_file TEXT    If provided, the created virtual environment is
                              installed with the libraries specified in this
                              file. If not, the activated virtual environment
                              is cloned through a temporary 'pip list' file.
                              If you are using editable package, it is
                              recommended you attach your own requirement file
                              using ``pip freeze``
  --extra_files TEXT          To upload extra files which can be called from
                              your main python file (or from the shell file).
  --config_file TEXT          To load job configuration from a file.
  --num_cores TEXT            Set the amount of CPU cores reserved for the
                              job. By default it is 1 CPU.
  --memory TEXT               Set the amount of memory RAM in MB reserved for
                              the job. By default it is 100 MB.
  --disk_space TEXT           Set the amount of hard drive space in MB
                              reserved for the job. By default it is 100 MB.
  --exclusive TEXT            Set the job to run in a machine exclusively,
                              without sharing it with other jobs. By default
                              it is False
  --max_execution_time TEXT   Set the maximum execution time for the job. By
                              default it is zero (unlimited).
  --wait TEXT                 Set the terminal to wait for job completion
                              before return the control to the user.
  --save_config_file BOOLEAN  Writes the configuration to the config file,
                              after successfully submit the job. It overwrites
                              the configuration file. The configuration file
                              path is given using ``config_file`` argument.
  --debug BOOLEAN             Set PyMAPDL to prints the debug logging to the
                              console output.
  --help                      Show this message and exit.

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- Coverage   87.12%   80.68%   -6.44%     
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[koubaa]

@germa89 should the config be in appdirs instead?

[germa89]

MMhhh... if we use a file in the root directory, we could point to different files.... and hence multiple configurations.

[germa89]

But maybe you are right... maybe it is better to use appdirs.... buttt... it might be a bit hidden for the user...

[germa89]

And we have many options to be keep in the file:

{
    "url": "https://10.231.106.91:3000/hps",
    "user": "repuser",
    "password": "repuser",
    "python": "3.9",
    "name": "my job",
    "num_cores": 1,
    "memory": 100,
    "disk_space": 100,
    "exclusive": false,
    "max_execution_time": 1000
}

keeping so many important options hidden in a appdir path might bring some complications.

[koubaa]

@germa89 use keyring for user/password. I don't think its secure enough to put that in plaintext like this. For everything else I would agree

[germa89]

I agree.

[koubaa]

Shell file is needed because pyhps doesn't support python jobs with a venv. I think we should see if that feature can be added to pyhps itself. Maybe using pip-run

[germa89]

I agree we need to support venv within pyhps. Using pip-run seems interesting. For flexibility I would keep an optional shell file though.

[koubaa]

option to download the result files?

[germa89]

I am not aware if we can do that from the PyHPS library... i will check it out.

[germa89]

Yes, It can be done.

[germa89]

https://hps.docs.pyansys.com/version/stable/api/_autosummary/ansys.hps.client.jms.api.ProjectApi.download_file.html#download-file

[germa89]

Update 18-Jun-2024

Notes

This approach needs carefull plannification which should be done in the following days.

Features

There are some feature requests which I'm going to write here, instead of an issue.

To be implemented before end of sprint

• Unit testing -> it will depend on where the code ends up.

Postponed until current approach is supported officially.

• Hability to download files.
• Use appdirs to for default configuration.