Signac-flow

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Added
+++++

- Add function to automatically print all varying state point parameters in the detailed status view triggered by providing option `-p/--parameters` without arguments (19, 87).
- Add clear environment notification when submitting job scripts (43, 88).

Fixed
+++++

- Fix issue where the scheduler status of job-operations would not be properly updated for *ineligible* operations (96).

Fixed (compute environments)
++++++++++++++++++++++++++++

- Fix issue with the TORQUE scheduler that occured when there was no job scheduled at all on the system (for any user) (92, 93).

Changed
+++++++

- The performance of status updates has been significantly improved (up to a factor of 1,000 for large data spaces) by applying a more efficient caching strategy (94).
- Add clear environment notification when submitting job scripts.

===========

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Added
+++++

- Add legend explaining the scheduler-related symbols to the detailed status view (68).
- Allow the specification of the number of tasks per resource set and additional jsrun arguments for Summit scripts.

Fixed (general)
+++++++++++++++

- Fixes issue where callable cmd-directives were not evaluated (47).
- Fixes issue where the source file of wrapped functions was not determined correctly (55).
- Fix a Python 2.7 incompatibility and another unrelated issue with the TORQUE scheduler driver (54, 81).
- Fixes issue where providing the wrong argument type to Project.submit() would go undetected and lead to unexpected behavior (58).
- Fixes issue where using the buffered mode would lead to confusing error messages when condition-functions would raise an AttributeError exception.
- Fixes issue with erroneous unused-directive-keys-warning.

Fixed (compute environments)
++++++++++++++++++++++++++++

- Fixes issues with the Summit environment resource set calculation for parallel operations under specific conditions (63).
- Fix the node size specified in the template for the ORNL Eos system (77).
- Fixes issue with a missing ``--gres`` directive when using the GPU-shared partition on the XSEDE Bridges system (59).
- Fixed University of Michigan Flux hostname pattern to ignore the Flux Hadoop cluster (82).
- Remove the Ascent environment (host decommissioned).

Note: The official support for Python 3.4 will be dropped beginning with version 0.8.0.

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- Add the `with_job` decorator that allows the definition of operations to take place within the `job` context. Works with `cmd`.
- Add the `not_` condition prefix to negate condition functions.
- Add the `false` condition prefix as analogue to the `true` condition prefix.
- Add support for the Summit supercomputer (U.S. DOE, Oak Ridge National Laboratory) and Ascent testing cluster.
- Add support for the IBM LSF scheduler.
- Add warning about explicitly set, but unused directives during submission.
- Add official support for Python version 3.7.
- Fix issue where the status sub-command ignored the `--show-traceback` option.
- Fix SLURM scheduler driver to show full error message in case that submission with `squeue` failed.
- Better specification of (optional) dependencies in setup.py and requirements.txt.
- Overall revision of all cluster submission templates; improved structure and abstraction of logic.
- The serialization of operations was improved to optimize execution speed for local runs.
- The evaluation of preconditions and postconditions was optimized for optimally lazy evaluation: cheaper conditions should be placed above more expensive conditions for maximal performance.
- When gathering operations, signac will automatically use the buffered mode when config value 'flow.use_buffered_mode' is set to True (requires signac >= 0.9.3).
- Improved documentation for developers and contributors.

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- Fix issue related to dynamic data spaces, that means data spaces where jobs are either added, removed, or changed during the execution of the workflow. Specifically, flow will now execute operations also for jobs that were added during execution.
- Fix issue where command line options would be ignored when provided before the sub-command.
- Fix issue where the table symbols in the `--stack --pretty` view were swapped.

---------------------

- Increase performance of condition evaluation (switch from eager to lazy evaluation). Speeds up detailed status update and run/script/submit sub commands.
- Fix issue with the detailed status update failing on older Python versions (29).
- Fix issue with the XSEDE Bridges template in combination with GPU operations.