v0.2.0

[0.2.0] - 2020.06.09

Added

• Add a Workflow.history attribute that tracks when the workflow was modified. It also stores pertinent software versions.
• Add a CLI command matflow validate that runs through the task schema and extension validation.
• Add a CLI command matflow kill, which kills all executing and pending tasks.
• Added configuration option prepare_process_scheduler_options to specify scheduler options for the prepare and process tasks.
• matflow profile is stored as a dict in addition to a string representation of the profile file (both in the Workflow.profile attribute).

Changed

• Module and function jsonable.py and to_jsonable renamed to hicklable.py and to_hicklable.
• Workflow and Task attributes in the workflow HDF5 file are now represented without leading underscores.
• Tasks with only a single element use the task directory directly instead of using an element sub-directory.
• Loading extensions and configuration files has been moved from the root __init__ to separate modules.
• make_workflow, submit_workflow, load_workflow, append_schema_source, prepend_schema_source and validate can now be imported from the root level: from matflow import make_workflow etc.
• There are no longer unsightly global variables for TASK_INPUT_MAP etc. This functionality has been subsumed into the global Config class. This is tidier and provides a better place for some validation.
• Software key sources has been replaced by environment.
• hpcflow configuration directory is generated within the matflow configuration directory.
• Jobscript names refer to the task to which they prepare/execute/process
• hpcflow profile is passed as a dict to hpcflow. For information, the hpcflow profile is still dumped to a file.