{"id":17321186,"url":"https://github.com/haozeke/wailord","last_synced_at":"2025-04-14T15:40:39.228Z","repository":{"id":53613123,"uuid":"303189277","full_name":"HaoZeke/wailord","owner":"HaoZeke","description":"An ORCA helper in python","archived":false,"fork":false,"pushed_at":"2023-11-16T04:48:17.000Z","size":9338,"stargazers_count":7,"open_issues_count":4,"forks_count":0,"subscribers_count":2,"default_branch":"main","last_synced_at":"2025-04-12T11:56:06.525Z","etag":null,"topics":["orca","orca-quantum-chemistry","python","quantum-chemistry"],"latest_commit_sha":null,"homepage":"https://wailord.xyz","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"other","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/HaoZeke.png","metadata":{"files":{"readme":"README.rst","changelog":"HISTORY.rst","contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":"CODEOWNERS","security":null,"support":null}},"created_at":"2020-10-11T18:44:25.000Z","updated_at":"2024-12-09T17:22:24.000Z","dependencies_parsed_at":"2023-01-23T13:15:44.366Z","dependency_job_id":null,"html_url":"https://github.com/HaoZeke/wailord","commit_stats":null,"previous_names":[],"tags_count":2,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/HaoZeke%2Fwailord","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/HaoZeke%2Fwailord/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/HaoZeke%2Fwailord/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/HaoZeke%2Fwailord/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/HaoZeke","download_url":"https://codeload.github.com/HaoZeke/wailord/tar.gz/refs/heads/main","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":248907825,"owners_count":21181407,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["orca","orca-quantum-chemistry","python","quantum-chemistry"],"created_at":"2024-10-15T13:35:40.406Z","updated_at":"2025-04-14T15:40:39.207Z","avatar_url":"https://github.com/HaoZeke.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"=======\nWailord\n=======\n\n.. image:: https://raw.githubusercontent.com/HaoZeke/wailord/main/docs/img/cover.jpeg\n        :alt: Logo of sorts from wallhaven\n\n.. image:: https://img.shields.io/pypi/v/wailord.svg\n        :target: https://pypi.python.org/pypi/wailord\n\n.. image:: https://zenodo.org/badge/303189277.svg\n        :target: https://zenodo.org/badge/latestdoi/303189277\n        :alt: Zenodo Status\n\n.. image:: https://github.com/HaoZeke/wailord/actions/workflows/build_wailord.yml/badge.svg\n        :target: https://github.com/HaoZeke/wailord/actions/workflows/build_wailord.yml\n        :alt: Build Status\n\n.. image:: https://api.netlify.com/api/v1/badges/2209e709-8d41-46ee-bf4d-0b116f9243b1/deploy-status\n        :target: https://app.netlify.com/sites/wailord/deploys\n        :alt: Documentation Status\n\n\n.. image:: https://pyup.io/repos/github/HaoZeke/wailord/shield.svg\n     :target: https://pyup.io/repos/github/HaoZeke/wailord/\n     :alt: Updates\n\n\nWailord is a python library to interact with ORCA_\n\n\n* Free software: GNU General Public License v3\n* Documentation: https://wailord.xyz\n\nBeing written up. Till then feel free to use the ZenodoDOI_.\n\n\nFeatures\n--------\n\n* Integrates with SLURM in a manner of speaking\n* Generic helpers for building arbitrary input files\n* Generates data-frames for all supported runs\n\nLimitations\n-----------\n\n* By choice, the split-job syntax has not been included\n\nCredits\n-------\n\n* Initially conceived during EFN115F_\n* This package was based off the `audreyr/cookiecutter-pypackage`_ Cookiecutter_ template\n* The image is from `wallhaven.cc`_\n* The favicon is from Bulbagarden_\n\n.. _ORCA: https://orcaforum.kofo.mpg.de/\n.. _EFN115F: https://notendur.hi.is/~hj/reikniefnafr/\n.. _Cookiecutter: https://github.com/audreyr/cookiecutter\n.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage\n.. _ZenodoDOI: https://zenodo.org/badge/latestdoi/303189277\n.. _Bulbagarden: https://archives.bulbagarden.net/wiki/File:321Wailord_AG_anime.png\n.. _`wallhaven.cc`: https://wallhaven.cc/w/4xgw53\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fhaozeke%2Fwailord","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fhaozeke%2Fwailord","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fhaozeke%2Fwailord/lists"}