Fixed issue with status of finished jobs

• Fixed a problem if a job returned a status of None, which was reported as an error.

Correcting the description of this package.

Merge pull request #13 from paulsaxe/main

Correcting the decription of this package.

Adding support for debugging

• Use the value of the environment variable SEAMM_LOG_LEVEL to set the log level for jobs. DEBUG, INFO, WARNING are three useful levels.

Adding awareness of running in Docker containers.

Merge pull request #11 from molssi-seamm/dev

Adding awareness of running in Docker containers.

Improved the output in the GUI.

• Improved the output to the GUI
• Fixed a bug in the file path for the status file.

Substantial improvements to JobServer

• Switched to independent process for Jobs, which means they are fully independent of the JobServer and continue to run if the JobServer stops
• Discover existing running jobs on startup and monitor them.
• Added status information for the machine the JobServer is on as well as Jobs
• Provide a GUI if run from the commandline, showing the log and status.

Added --version option

What's Changed

• Add --version option to print the version and stop by @paulsaxe in #7

Also internal change to switch to reusable GitHub workflows from molssi-seamm/devops.

Full Changelog: 2022.2.2...2022.6.9

Allowing jobs with parameters

This works with SEAMM and the Dashboard to allow jobs with parameters from control-parameter steps, including files.

This version is functionally identical to the previous. However there was a bug in the continuous deployment (CD) that prevented the deployment. This patch fixes that.

Enabling jobs with parameters

This works with SEAMM and the Dashboard to allow jobs with parameters from control-parameter steps, including files.

Working with new datastore and Dashboard

Small changes to keep compatibility with the datastore and Dashboard.