dpdispatcher 0.6.1__py3-none-any.whl → 1.0.0__py3-none-any.whl

{dpdispatcher-0.6.1.dist-info → dpdispatcher-1.0.0.dist-info}/METADATA

@@ -1,9 +1,9 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: dpdispatcher
-Version: 0.6.1
+Version: 1.0.0
 Summary: Generate HPC scheduler systems jobs input scripts, submit these scripts to HPC systems, and poke until they finish
 Author: DeepModeling
-License: GNU LESSER GENERAL PUBLIC LICENSE
+License:                    GNU LESSER GENERAL PUBLIC LICENSE
                                Version 3, 29 June 2007
         
          Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
@@ -172,7 +172,7 @@ License: GNU LESSER GENERAL PUBLIC LICENSE
 Project-URL: Homepage, https://github.com/deepmodeling/dpdispatcher
 Project-URL: documentation, https://docs.deepmodeling.com/projects/dpdispatcher
 Project-URL: repository, https://github.com/deepmodeling/dpdispatcher
-Keywords: dispatcher,hpc,slurm,lsf,pbs,ssh
+Keywords: dispatcher,hpc,slurm,lsf,pbs,ssh,jh_unischeduler
 Classifier: Programming Language :: Python :: 3.7
 Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
@@ -186,31 +186,33 @@ Requires-Python: >=3.7
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: paramiko
-Requires-Dist: dargs >=0.4.1
+Requires-Dist: dargs>=0.4.1
 Requires-Dist: requests
-Requires-Dist: tqdm >=4.9.0
+Requires-Dist: tqdm>=4.9.0
+Requires-Dist: typing_extensions; python_version < "3.7"
 Requires-Dist: pyyaml
-Requires-Dist: typing-extensions ; python_version < "3.7"
-Provides-Extra: bohrium
-Requires-Dist: oss2 ; extra == 'bohrium'
-Requires-Dist: tqdm ; extra == 'bohrium'
-Requires-Dist: bohrium-sdk ; extra == 'bohrium'
-Provides-Extra: cloudserver
-Requires-Dist: oss2 ; extra == 'cloudserver'
-Requires-Dist: tqdm ; extra == 'cloudserver'
-Requires-Dist: bohrium-sdk ; extra == 'cloudserver'
+Requires-Dist: tomli>=1.1.0; python_version < "3.11"
 Provides-Extra: docs
-Requires-Dist: sphinx ; extra == 'docs'
-Requires-Dist: myst-parser ; extra == 'docs'
-Requires-Dist: sphinx-rtd-theme >=1.0.0rc1 ; extra == 'docs'
-Requires-Dist: numpydoc ; extra == 'docs'
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-Requires-Dist: dargs >=0.3.1 ; extra == 'docs'
-Requires-Dist: sphinx-argparse ; extra == 'docs'
+Requires-Dist: sphinx; extra == "docs"
+Requires-Dist: myst-parser; extra == "docs"
+Requires-Dist: sphinx-book-theme; extra == "docs"
+Requires-Dist: numpydoc; extra == "docs"
+Requires-Dist: deepmodeling-sphinx>=0.3.0; extra == "docs"
+Requires-Dist: dargs>=0.3.1; extra == "docs"
+Requires-Dist: sphinx-argparse<0.5.0; extra == "docs"
+Provides-Extra: cloudserver
+Requires-Dist: oss2; extra == "cloudserver"
+Requires-Dist: tqdm; extra == "cloudserver"
+Requires-Dist: bohrium-sdk; extra == "cloudserver"
+Provides-Extra: bohrium
+Requires-Dist: oss2; extra == "bohrium"
+Requires-Dist: tqdm; extra == "bohrium"
+Requires-Dist: bohrium-sdk; extra == "bohrium"
 Provides-Extra: gui
-Requires-Dist: dpgui ; extra == 'gui'
+Requires-Dist: dpgui; extra == "gui"
 Provides-Extra: test
-Requires-Dist: dpgui ; extra == 'test'
+Requires-Dist: dpgui; extra == "test"
+Dynamic: license-file
 
 # DPDispatcher
 
@@ -220,11 +222,19 @@ Requires-Dist: dpgui ; extra == 'test'
 [![Documentation Status](https://readthedocs.org/projects/dpdispatcher/badge/)](https://dpdispatcher.readthedocs.io/)
 
 DPDispatcher is a Python package used to generate HPC (High-Performance Computing) scheduler systems (Slurm/PBS/LSF/Bohrium) jobs input scripts, submit them to HPC systems, and poke until they finish.
-​
+
 DPDispatcher will monitor (poke) until these jobs finish and download the results files (if these jobs are running on remote systems connected by SSH).
 
 For more information, check the [documentation](https://dpdispatcher.readthedocs.io/).
 
+## Credits
+
+Please cite the following paper if you use this project in your work:
+
+- Fengbo Yuan, Zhaohan Ding, Yun-Pei Liu, Kai Cao, Jiahao Fan, Cao Thang Nguyen, Yuzhi Zhang, Haidi Wang, Yixiao Chen, Jiameng Huang, Tongqi Wen, Mingkang Liu, Yifan Li, Yong-Bin Zhuang, Hao Yu, Ping Tuo, Yaotang Zhang, Yibo Wang, Linfeng Zhang, Han Wang, Jinzhe Zeng, DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science, _J. Chem. Inf. Model._, 2025, DOI: [10.1021/acs.jcim.5c02081](https://doi.org/10.1021/acs.jcim.5c02081). [![Citations](https://citations.njzjz.win/10.1021/acs.jcim.5c02081)](https://badge.dimensions.ai/details/doi/10.1021/acs.jcim.5c02081)
+
+This project was separated out from the [DP-GEN](https://github.com/deepmodeling/dpgen) project (Section 3.3 in [its paper](https://doi.org/10.1016/j.cpc.2020.107206)) to be used by more workflow software.
+
 ## Installation
 
 DPDispatcher can be installed by `pip`:
@@ -247,7 +257,3 @@ See [Getting Started](https://dpdispatcher.readthedocs.io/en/latest/getting-star
 
 DPDispatcher is maintained by Deep Modeling's developers and welcomes other people.
 See [Contributing Guide](CONTRIBUTING.md) to become a contributor! 🤓
-
-## References
-
-DPDispatcher is derivated from the [DP-GEN](https://github.com/deepmodeling/dpgen) package. To mention DPDispatcher in a scholarly publication, please read Section 3.3 in the [DP-GEN paper](https://doi.org/10.1016/j.cpc.2020.107206).

dpdispatcher-1.0.0.dist-info/RECORD

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{dpdispatcher-0.6.1.dist-info → dpdispatcher-1.0.0.dist-info}/WHEEL

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 Wheel-Version: 1.0
-Generator: bdist_wheel (0.41.3)
+Generator: setuptools (80.9.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

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