Add `directory` output to `gmxapi.mdrun` to publish working directory path.
Summary
People are finding the directory
output of gmxapi.commandline_operation
essential, and I am aware of users relying on the (unadvertised) _work_dir
output currently available on gmxapi.mdrun
.
We should make this output official, but I propose normalizing the name.
Possible fixes
- Rename
_work_dir
todirectory
. - Document the "new" output.
- Add a release note.
I don't think it is necessary to have a deprecation period for a previously unadvertised feature in a 0.x release (objections?), but I will make announcements on the user forum, developer mailing list, and gmxapi Slack space, once merged.