Description:

aiida firecrest 0.1.0a1

aiida-firecrest [IN-DEVELOPMENT]
AiiDA Transport/Scheduler plugins for interfacing with FirecREST
Installation
(pip not yet available)
pip install aiida-firecrest

Or for development:
git clone
cd aiida-firecrest
pip install -e .

CLI Usage
$ aiida-firecrest-cli --help
Usage: aiida-firecrest-cli [OPTIONS] COMMAND [ARGS]...

FireCrest CLI.

Options:
--config PATH Path to the connection file (default: .firecrest-
config.json).
--help Show this message and exit.

Commands:
fs File system operations.
slurm Slurm operations.
stat Status operations.

The configuration file should look like this:
{
"url": "https://firecrest.cscs.ch",
"token_uri": "https://auth.cscs.ch/auth/realms/cscs/protocol/openid-connect/token",
"client_id": "username-client",
"client_secret": "xyz",
"machine": "daint",
"scratch_path": "/scratch/snx3000/username"
}

scratch_path is optional.
If specified, all operations will be relative to this path.
$ aiida-firecrest-cli stat
Usage: aiida-firecrest-cli stat [OPTIONS] COMMAND [ARGS]...

Status operations.

Options:
--help Show this message and exit.

Commands:
parameters Get parameters that can be configured in environment files.
service Information about a service.
services List available services.
system Information about a system.
systems List available systems.

$ aiida-firecrest-cli fs
Usage: aiida-firecrest-cli fs [OPTIONS] COMMAND [ARGS]...

File system operations.

Options:
--help Show this message and exit.

Commands:
cat Get the contents of a file.
chmod Change the mode of a file.
cwd Get the current working directory.
ls List files in a path.
putfile Upload file to the remote.
stat Get information about a file.

$ aiida-firecrest-cli slurm
Usage: aiida-firecrest-cli slurm [OPTIONS] COMMAND [ARGS]...

Slurm operations.

Options:
--help Show this message and exit.

Commands:
sacct Retrieve information for all jobs.
squeue Retrieves information for queued jobs.
submit Submit a job script.

Code Style
To format the code and lint it, run pre-commit:
pre-commit run --all-files

Testing
It is recommended to run the tests via tox.
tox

By default, the tests are run using a mock FirecREST server (in a temporary folder).
You can also provide connections details to a real FirecREST server:
tox -- --firecrest-config=".firecrest-config.json"

The format of the .firecrest-config.json file is:
{
"url": "https://firecrest.cscs.ch",
"token_uri": "https://auth.cscs.ch/auth/realms/cscs/protocol/openid-connect/token",
"client_id": "username-client",
"client_secret": "xyz",
"machine": "daint",
"scratch_path": "/scratch/snx3000/username"
}

License

For personal and professional use. You cannot resell or redistribute these repositories in their original state.

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