hrcl-jobs

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1.7.0 hrcl_jobs-1.7.0-py3-none-any.whl

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Project: hrcl-jobs
Version: 1.7.0
Filename: hrcl_jobs-1.7.0-py3-none-any.whl
Download: [link]
Size: 58963
MD5: e12518a72f3d628d49f7f2e079a2fb1f
SHA256: 3d6f1f824e3c7ae446450d42e3f42d4eac398c6c9c24246f320ef2bc8fb48777
Uploaded: 2024-04-24 19:00:13 +0000

dist-info

METADATA

Metadata-Version: 2.1
Name: hrcl_jobs
Version: 1.7.0
Summary: Runs python functions on worker threads with main thread communicating with sql db
Author-Email: "Austin M. Wallace" <awallace43[at]gatech.edu>
Project-Url: Homepage, https://github.com/Awallace3/hierarchical_python_jobs
Project-Url: Bug Tracker, https://github.com/Awallace3/hierarchical_python_jobs/issues
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Requires-Dist: matplotlib
Requires-Dist: qm-tools-aw
Requires-Dist: numpy (>=1.20.0)
Requires-Dist: pandas (>=1.4.3)
Requires-Dist: autodock-vina; extra == "ad4-vina-calculations"
Requires-Dist: openmm; extra == "openmm-calculations"
Requires-Dist: psi4 (>=1.7); extra == "psi4-calculations"
Provides-Extra: ad4_vina_calculations
Provides-Extra: openmm_calculations
Provides-Extra: psi4_calculations
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 354 characters]

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Root-Is-Purelib: true
Tag: py3-none-any

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hrcl_jobs_psi4
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zip-safe