signac-flow

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### Feature description Make it easier for job output (std out and err) to end up in the job directory. ### Proposed solution Expose something like `job_output_dir` as a variable...

mikemhenry

Mapping of scheduler jobs to project

4

**[Original report](https://bitbucket.org/glotzer/signac-flow/issue/3) by Carl Simon Adorf (Bitbucket: [csadorf](https://bitbucket.org/csadorf), GitHub: [csadorf](https://github.com/csadorf)).** ---------------------------------------- # Problem The FlowProject currently provides the `scheduler_jobs()` and the `map_scheduler_jobs()` method. These can be used to identify scheduler...

csadorf

### Feature description status_parallelization was documented as a CLI argument, but since being moved it is not in the API docs anywhere ### Proposed solution Include documentation of the three...

atravitz

Return scheduler job ids from FlowProject.submit

1

### Feature description Requested by user @salazardetroya: https://signac.slack.com/archives/CVC04S9TN/p1623794700095400 > Whenever I submit a job with `sbatch ...` I typically obtain the job ID as output. I'd like to obtain that...

bdice

### Description I discussed an issue with @jdice where he saw a `DeprecationWarning` (raised [here](https://github.com/glotzerlab/signac-flow/blob/5e3dd6e99acb5de2b149c4a7bdb5dd54002d2e13/flow/aggregates.py#L596) when `job.get_id()` is called) being treated as an exception in the `run` command (exception handling...

bdice

### Description We have status tests now thanks to @Charlottez112, but we still do not test the proper output given submission statuses and eligibility/completion changes. This limits our testing coverage...

b-butler

Add type hints

4

The source of signac-flow would likely be more readable and more bug-resilient with [type hints](https://docs.python.org/3/library/typing.html).

csadorf

Message management for running with signac flow directives

3

### Feature description At the moment when running with operation directives or command line option, the Environment messages are printed each time and the progress bar is forced to start...

PheelyC

Refactor Operation and Group registration with FlowProject

5

### Feature description The internals of `FlowProject`'s registation of `BaseFlowOperations` and `FlowGroups` have multiple inconsistencies. Directives are stored as object attributes that are added to the callable operation. However, pre...

b-butler

Support modification of the subprocess environment created when groups fork to execute operations

1

### Feature description Operations that require forking, either via an explicit `fork` directive or using any other directives that trigger forking like `nranks` (via MPI) or `executable`, end up executing...

vyasr