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CHANGELOG.md

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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[UNRELEASED]

Operations

  • Added a docker based SLURM cluster in the CI pipeline for testing the plugin.
  • Ignoring tests/docker_tests directory from pytest.

[0.18.0] - 2024-01-26

Added

  • ssh_key_file and cert_file paths will now be expanded and resolved to their absolute paths instead of requiring to be absolute in the first place.
  • Added ignore_versions parameter to SlurmExecutor to allow for ignoring the versions of python, covalent and cloudpickle when submitting jobs on the remote machine.
  • Added further improved error messages in the slurm script.
  • Added docker file and its dependent files so that the plugin can be tested using a docker container running slurm.
  • Added README.md for the docker tests with steps to manually test the plugin.

Changed

  • Changed the strict version pin of aiofiles to be >= instead of ==.

Removed

  • Excluding tests from the built package.
  • Removed python version pin for pre-commit hooks.

[0.17.0] - 2024-01-19

Added

  • add a new variables parameter for environment variables
  • add a new error-catching python execution script (add new module)
  • add checks inside submit script for covalent and cloudpickle versions
  • clean up job script creation (add new module)
  • export COVALENT_CONFIG_DIR=/tmp inside sbatch script to enable filelock

Changed

  • update plugin defaults to use BaseModel instead of dict
  • change to actually get errors from these checks
  • use Path everywhere instead of os.path operations
  • allow poll_freq >= 10 seconds, instead of 60 seconds
  • misc. cleanups and refactoring
  • Aesthetics and string formatting
  • remove addition of COVALENT_CONFIG_DIR=/tmp to sbatch script
  • Removed the sshproxy interface.
  • Updates init signature kwargs replaced with parent for better documentation.
  • Updated license to Apache

Docs

  • Add missing , to README.

[0.16.0] - 2023-05-12

Added

  • A new config variable, bashrc_path, which is the path to the bashrc script to source.

Changed

  • Removed automatic sourcing of $HOME/.bashrc from the SLURM submit script.

Fixed

  • Does not put conda-related lines in SLURM script if conda_env is set to False or "".
  • Changed default config value of conda_env from None to "".
  • A proper ValueError will now be raised if ssh_key_file is not supplied.

[0.15.0] - 2023-05-12

Added

  • A new kwarg, use_srun, that allows for the user to specify whether to use srun when running the pickled Python function.
  • Added docstring for sshproxy

[0.14.0] - 2023-05-12

Added

  • A new kwarg create_unique_workdir that will create unique subfolders of the type <DISPATCH ID>/node_<NODE ID> within remote_workdir if set to True

Fixed

  • Fixed a bug where cleanup = False would be ignored.
  • Fixed a bug where if cache_dir was not present, Covalent would crash.

[0.13.0] - 2023-05-11

Changed

  • Updated pre-commit hooks

[0.12.1] - 2023-05-05

Fixed

  • Moved executor validations out of constructor

Operations

  • Fixed license CI workflow

[0.12.0] - 2023-05-05

Added

  • Basic support for NERSC's sshproxy tool which uses MFA to generate SSH keys

[0.11.0] - 2023-05-02

Added

  • Added instructions to the README for the remote machine's dependencies.

Changed

  • Automatically apply the "parsable": "" option by default if not set by the user.

[0.10.0] - 2023-05-01

Added

  • Modified executor to use srun in slurm script, instead of injecting python code and calling python directly.
  • Added new parameters to SlurmExecutor to allow finer control of jobs via options for srun and in-script commands (see README.md).
  • Added srun_append parameter allowing insertion of intermediate command (see README.md).
  • Added prerun_commands and postrun_commands parameters allowing execution of in-script shell commands before and after the workflow submission via srun (see README.md).

[0.9.0] - 2023-04-30

Added

  • Added a new kwarg, cert_file, to SlurmExecutor that allows for a certificate file to be passed.

Changed

  • Changed the _client_connect function to output the connection object only since the first positional argument cannot get used.

Operations

  • Added Alejandro to paul blart group

[0.8.0] - 2022-11-19

Changed

  • Changed BaseAsyncExecutor to AsyncBaseExecutor
  • Updated covalent version to >=0.202.0,<1

Operations

  • Added license workflow

Tests

  • Enabled Codecov

[0.7.0] - 2022-08-23

Added

  • SlurmExecutor can now be import directly from covalent_slurm_plugin
  • Added several debug log statements to track progress when debugging
  • asyncssh added as a requirement
  • Added support for performing cleanup on remote machine (default is True) once execution completes
  • Added slurm_path for users to provide a path for slurm commands if they aren't detected automatically

Changed

  • Default values set for some SlurmExecutor initialization parameters
  • Since there were several ssh calls, thus now using asyncssh module for a uniform interface to run ssh commands on remote machine
  • File transfer to and from is now done using scp instead of rsync

Fixed

  • Fixed returning only result from run method instead of returning stdout and stderr as well, which are now printed directly appropriately

Tests

  • Updated tests to reflect above changes

[0.6.0] - 2022-08-18

Changed

  • Updated covalent version to stable

[0.5.2] - 2022-08-18

Fixed

  • Restore cache_dir parameter to constructor

[0.5.1] - 2022-08-14

Fixed

  • Banner file extension

[0.5.0] - 2022-08-14

Changed

  • Updated readme banner

Fixed

  • Fixed test references to conda

[0.4.0] - 2022-08-04

Changed

  • Slurm executor is now async aware. Internal subprocess calls are now awaited.
  • Tests have been updated to reflect above changes.

[0.3.0] - 2022-05-26

Changed

  • New logo to reflect revamp in UI.
  • Reverted some changes in slurm.py.

Fixed

  • Handle exceptions correctly

[0.2.5] - 2022-05-26

Fixed

  • Workflows are fixed

[0.2.4] - 2022-04-28

Added

  • Unit tests written and added to the .github workflows.

[0.2.3] - 2022-04-18

Changed

  • The function is deserialized before sending to the remote machine. This allows the remote machine to execute the fuction in a "vanilla" python, and not need Covalent to be installed.
  • The args and kwargs inputs to the function to be executed are pickled into the same file as the function, for transport to the remote machine.

[0.2.2] - 2022-04-14

Fixed

  • Fixed full local path to where result files were being copied back from remote
  • Pass in dictionary to self.get_status instead of str

[0.2.1] - 2022-04-14

Changed

  • The python version on the remote machine only has to be equal to the python version which created the function to be executed down to the minor version. Eg, matching 3.8, instead of matching 3.8.13.

[0.2.0] - 2022-04-12

Changed

  • Modified slurm.py to be compatible with the refactored Covalent codebase.

[0.1.2] - 2022-04-12

Changed

  • Add time module import back to slurm.py

[0.1.1] - 2022-04-12

Changed

  • Updated how slurm job id is retrieved from proc.stdout using regex

[0.1.0] - 2022-04-08

Changed

  • Changed global variable executor_plugin_name -> EXECUTOR_PLUGIN_NAME in executors to conform with PEP8.

[0.0.2] - 2022-03-02

Added

  • Enabled PyPI upload

[0.0.1] - 2022-03-02

Added

  • Core files for this repo.
  • CHANGELOG.md to track changes (this file).
  • Semantic versioning in VERSION.
  • CI pipeline job to enforce versioning.