Pysqa

What's Changed
* Bump pandas from 2.0.0 to 2.0.1 by dependabot in https://github.com/pyiron/pysqa/pull/162
* Update slurm.sh by jan-janssen in https://github.com/pyiron/pysqa/pull/163
* Extend tests by pyiron-runner in https://github.com/pyiron/pysqa/pull/164
* Refactor codebase by jan-janssen in https://github.com/pyiron/pysqa/pull/166
* Fix dependency_list not being transferred by jan-janssen in https://github.com/pyiron/pysqa/pull/167
* Add write test by jan-janssen in https://github.com/pyiron/pysqa/pull/168
* Add extra keyword arguments by jan-janssen in https://github.com/pyiron/pysqa/pull/169
* Pysqa use settings by jan-janssen in https://github.com/pyiron/pysqa/pull/165

New Contributors
* pyiron-runner made their first contribution in https://github.com/pyiron/pysqa/pull/164

**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.20...pysqa-0.0.21

What's Changed
* update torque support by ligerzero-ai in https://github.com/pyiron/pysqa/pull/156
* Implement method convert_queue_status for torque by ligerzero-ai in https://github.com/pyiron/pysqa/pull/157
* Add slurm squeue test by jan-janssen in https://github.com/pyiron/pysqa/pull/161

New Contributors
* ligerzero-ai made their first contribution in https://github.com/pyiron/pysqa/pull/156

**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.19...pysqa-0.0.20

What's Changed
* Bump pandas from 1.5.2 to 1.5.3 by dependabot in https://github.com/pyiron/pysqa/pull/150
* Bump paramiko from 2.12.0 to 3.0.0 by dependabot in https://github.com/pyiron/pysqa/pull/151
* Bump tqdm from 4.64.1 to 4.65.0 by dependabot in https://github.com/pyiron/pysqa/pull/152
* Bump paramiko from 3.0.0 to 3.1.0 by dependabot in https://github.com/pyiron/pysqa/pull/154
* Bump pandas from 1.5.3 to 2.0.0 by dependabot in https://github.com/pyiron/pysqa/pull/155


**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.18...pysqa-0.0.19

What's Changed
* Use build cache like in base and atomistics by niklassiemer in https://github.com/pyiron/pysqa/pull/142
* Bump pandas from 1.5.0 to 1.5.1 by dependabot in https://github.com/pyiron/pysqa/pull/144
* Return working directory as part of the queue status by jan-janssen in https://github.com/pyiron/pysqa/pull/143
* Update to python 3.11 by jan-janssen in https://github.com/pyiron/pysqa/pull/145
* Bump paramiko from 2.11.0 to 2.12.0 by dependabot in https://github.com/pyiron/pysqa/pull/146
* Bump pandas from 1.5.1 to 1.5.2 by dependabot in https://github.com/pyiron/pysqa/pull/147
* Rename master to main by jan-janssen in https://github.com/pyiron/pysqa/pull/148


**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.17...pysqa-0.0.18

What's Changed
* Bump pandas from 1.4.0 to 1.4.1 by dependabot in https://github.com/pyiron/pysqa/pull/115
* Bump tqdm from 4.62.3 to 4.63.0 by dependabot in https://github.com/pyiron/pysqa/pull/117
* Bump paramiko from 2.9.2 to 2.10.1 by dependabot in https://github.com/pyiron/pysqa/pull/118
* Bump paramiko from 2.10.1 to 2.10.3 by dependabot in https://github.com/pyiron/pysqa/pull/119
* Bump tqdm from 4.63.0 to 4.63.1 by dependabot in https://github.com/pyiron/pysqa/pull/120
* Bump jinja2 from 3.0.3 to 3.1.1 by dependabot in https://github.com/pyiron/pysqa/pull/121
* Bump tqdm from 4.63.1 to 4.64.0 by dependabot in https://github.com/pyiron/pysqa/pull/122
* Bump pandas from 1.4.1 to 1.4.2 by dependabot in https://github.com/pyiron/pysqa/pull/123
* Bump paramiko from 2.10.3 to 2.10.4 by dependabot in https://github.com/pyiron/pysqa/pull/126
* Bump jinja2 from 3.1.1 to 3.1.2 by dependabot in https://github.com/pyiron/pysqa/pull/125
* Bump paramiko from 2.10.4 to 2.11.0 by dependabot in https://github.com/pyiron/pysqa/pull/127
* Remove openssl constraint by jan-janssen in https://github.com/pyiron/pysqa/pull/114
* Bump pandas from 1.4.2 to 1.4.3 by dependabot in https://github.com/pyiron/pysqa/pull/128
* Extend output format for JobID by jan-janssen in https://github.com/pyiron/pysqa/pull/116
* Fix abbreviation of status to 's' by niklassiemer in https://github.com/pyiron/pysqa/pull/131
* Add format black workflow by niklassiemer in https://github.com/pyiron/pysqa/pull/134
* Bump tqdm from 4.64.0 to 4.64.1 by dependabot in https://github.com/pyiron/pysqa/pull/136
* Bump pandas from 1.4.3 to 1.4.4 by dependabot in https://github.com/pyiron/pysqa/pull/135
* Bump pandas from 1.4.4 to 1.5.0 by dependabot in https://github.com/pyiron/pysqa/pull/137
* Introduce and use Base SchedulerCommands class by niklassiemer in https://github.com/pyiron/pysqa/pull/133
* Write output from submission to file on error by pmrv in https://github.com/pyiron/pysqa/pull/124
* Merge with master by jan-janssen in https://github.com/pyiron/pysqa/pull/138
* Allow for job dependencies by niklassiemer in https://github.com/pyiron/pysqa/pull/132


**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.16...pysqa-0.0.17

What's Changed
* Bump pandas from 1.2.1 to 1.2.2 by dependabot-preview in https://github.com/pyiron/pysqa/pull/60
* Bump tqdm from 4.56.0 to 4.56.1 by dependabot-preview in https://github.com/pyiron/pysqa/pull/61
* Bump tqdm from 4.56.1 to 4.56.2 by dependabot-preview in https://github.com/pyiron/pysqa/pull/62
* Limit to Python 3.5 by jan-janssen in https://github.com/pyiron/pysqa/pull/63
* Bump tqdm from 4.56.2 to 4.57.0 by dependabot-preview in https://github.com/pyiron/pysqa/pull/64
* Bump tqdm from 4.57.0 to 4.58.0 by dependabot-preview in https://github.com/pyiron/pysqa/pull/66
* Bump pandas from 1.2.2 to 1.2.3 by dependabot-preview in https://github.com/pyiron/pysqa/pull/67
* CI: use channel-priority: strict by jan-janssen in https://github.com/pyiron/pysqa/pull/68
* Bump defusedxml from 0.6.0 to 0.7.0 by dependabot-preview in https://github.com/pyiron/pysqa/pull/69
* Bump tqdm from 4.58.0 to 4.59.0 by dependabot-preview in https://github.com/pyiron/pysqa/pull/70
* Bump defusedxml from 0.7.0 to 0.7.1 by dependabot-preview in https://github.com/pyiron/pysqa/pull/71
* Check pypi status using pip check by jan-janssen in https://github.com/pyiron/pysqa/pull/72
* Bump tqdm from 4.59.0 to 4.60.0 by dependabot-preview in https://github.com/pyiron/pysqa/pull/73
* Bump pandas from 1.2.3 to 1.2.4 by dependabot-preview in https://github.com/pyiron/pysqa/pull/74
* Upgrade to GitHub-native Dependabot by dependabot-preview in https://github.com/pyiron/pysqa/pull/75
* updating dependabot.yml by muh-hassani in https://github.com/pyiron/pysqa/pull/76
* Bump jinja2 from 2.11.3 to 3.0.0 by dependabot in https://github.com/pyiron/pysqa/pull/77
* Bump jinja2 from 3.0.0 to 3.0.1 by dependabot in https://github.com/pyiron/pysqa/pull/78
* Bump tqdm from 4.60.0 to 4.61.0 by dependabot in https://github.com/pyiron/pysqa/pull/79
* Bump tqdm from 4.61.0 to 4.61.1 by dependabot in https://github.com/pyiron/pysqa/pull/80
* Bump pandas from 1.2.4 to 1.2.5 by dependabot in https://github.com/pyiron/pysqa/pull/81
* Bump pandas from 1.2.5 to 1.3.0 by dependabot in https://github.com/pyiron/pysqa/pull/82
* Create .gitignore by jan-janssen in https://github.com/pyiron/pysqa/pull/84
* use black formating by jan-janssen in https://github.com/pyiron/pysqa/pull/86
* Create UpdateDependabotPR.yml by jan-janssen in https://github.com/pyiron/pysqa/pull/83
* Bump tqdm from 4.61.1 to 4.61.2 by dependabot in https://github.com/pyiron/pysqa/pull/87
* Bump pandas from 1.3.0 to 1.3.1 by dependabot in https://github.com/pyiron/pysqa/pull/88
* Use mamba for CI by jan-janssen in https://github.com/pyiron/pysqa/pull/90
* Bump tqdm from 4.61.2 to 4.62.0 by dependabot in https://github.com/pyiron/pysqa/pull/91
* Bump tqdm from 4.62.0 to 4.62.1 by dependabot in https://github.com/pyiron/pysqa/pull/93
* Bump pandas from 1.3.1 to 1.3.2 by dependabot in https://github.com/pyiron/pysqa/pull/94
* Bump tqdm from 4.62.1 to 4.62.2 by dependabot in https://github.com/pyiron/pysqa/pull/95
* Bump pandas from 1.3.2 to 1.3.3 by dependabot in https://github.com/pyiron/pysqa/pull/96
* Bump tqdm from 4.62.2 to 4.62.3 by dependabot in https://github.com/pyiron/pysqa/pull/97
* Bump jinja2 from 3.0.1 to 3.0.2 by dependabot in https://github.com/pyiron/pysqa/pull/98
* Bump paramiko from 2.7.2 to 2.8.0 by dependabot in https://github.com/pyiron/pysqa/pull/99
* Bump pyyaml from 5.4.1 to 6.0 by dependabot in https://github.com/pyiron/pysqa/pull/100
* Bump pandas from 1.3.3 to 1.3.4 by dependabot in https://github.com/pyiron/pysqa/pull/101
* Bump jinja2 from 3.0.2 to 3.0.3 by dependabot in https://github.com/pyiron/pysqa/pull/102
* Bump paramiko from 2.8.0 to 2.8.1 by dependabot in https://github.com/pyiron/pysqa/pull/103
* Try Python 3.10 by jan-janssen in https://github.com/pyiron/pysqa/pull/104
* Bump pandas from 1.3.4 to 1.3.5 by dependabot in https://github.com/pyiron/pysqa/pull/105
* Bump paramiko from 2.8.1 to 2.9.1 by dependabot in https://github.com/pyiron/pysqa/pull/107
* Merge Master by jan-janssen in https://github.com/pyiron/pysqa/pull/111
* Use psf/black action directly by niklassiemer in https://github.com/pyiron/pysqa/pull/108
* Bump paramiko from 2.8.1 to 2.9.2 by dependabot in https://github.com/pyiron/pysqa/pull/109
* Slurm memory limit by jan-janssen in https://github.com/pyiron/pysqa/pull/112
* Bump pandas from 1.3.5 to 1.4.0 by dependabot in https://github.com/pyiron/pysqa/pull/113

New Contributors
* muh-hassani made their first contribution in https://github.com/pyiron/pysqa/pull/76

**Full Changelog**: https://github.com/pyiron/pysqa/compare/pysqa-0.0.15...pysqa-0.0.16