signac-flow

signac-flow copied to clipboard

Allow setting account via flag when submitting

1

### Feature description Discussed with @joaander today. I would like to be able to set the account on the command line when submitting jobs through flow. I'm setting it via...

cbkerr

### Feature description Modifying the environment detection to rely less heavily on the hostname would be helpful for when clusters change hostnames which has happened twice on Delta. @joaander proposed...

b-butler

### Feature description Hi! Wisconsin's Center for High-Throughput Computing (https://chtc.cs.wisc.edu/) operates with a Condor submission system, which is currently not supported by signac. I've had a brief chat with those...

rosecers

Check status for specific operations

3

### Feature description I don't think there is a way to check status for _only_ specific operations/groups. I tried to provide the flag `-o operation_name`, as in `python project.py status...

bdice

Builtin Execution Hooks

2

### Feature description #508 Has been merged which provides the base implementation for hooks. However there are currently no provided builtin hooks for use by the end user. The potential...

b-butler

Change Conditions Execution Order

1

### Description Currently we execute operation decorators from outside in or top bottom. This is confusing when using decorators as functions directly. ```python @FlowProject.operation def op(job): pass FlowProject.pre(expesive_cond)(FlowProject.pre.true("foo")(op)) ``` This...

b-butler

Revising the signac-flow API

16

### Feature description Coming from https://github.com/glotzerlab/signac/wiki/GSoC-2022-Projects#2-revising-the-signac-flow-api, we can start splitting this up into chunks and move towards kind-of a decorator-less API. ### Proposed solution I think we do these in...

kidrahahjo

Separating `operation.cmd` when using `@with_job` and `@cmd`

20

### Feature description When using the `with_job` and `cmd` decorators together, it would be great to separate the changing of the directories from the `cmd` itself. ### Proposed solution I...

justinGilmer

FlowProject.operation documentation doesn't show up in signac-flow API docs home page

2

### Description The "description" of `FlowProject.operation` doesn't show up in https://docs.signac.io/projects/flow/en/latest/api.html. Is there a reason for this?

kidrahahjo

Refactor testing code

4

### Motivation While working on PR #608, I had some difficulty writing tests for traceback handlers. That sparked a [discussion](https://github.com/glotzerlab/signac-flow/pull/608#discussion_r805515803) about how we could improve our testing code in signac-flow....

bdice