{"id":28396881,"url":"https://github.com/pairinteraction/database-sqdt","last_synced_at":"2025-06-27T13:31:51.734Z","repository":{"id":235190480,"uuid":"790244640","full_name":"pairinteraction/database-sqdt","owner":"pairinteraction","description":"States and matrix elements calculated with single-channel quantum defect theory","archived":false,"fork":false,"pushed_at":"2025-06-16T15:22:41.000Z","size":200,"stargazers_count":0,"open_issues_count":1,"forks_count":1,"subscribers_count":2,"default_branch":"main","last_synced_at":"2025-06-16T16:35:27.480Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/pairinteraction.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null}},"created_at":"2024-04-22T14:26:47.000Z","updated_at":"2025-06-16T15:22:27.000Z","dependencies_parsed_at":"2025-06-16T16:26:19.965Z","dependency_job_id":"40e40eb5-b099-419a-85b7-51af49c60be7","html_url":"https://github.com/pairinteraction/database-sqdt","commit_stats":null,"previous_names":["pairinteraction/database-sqdt"],"tags_count":6,"template":false,"template_full_name":null,"purl":"pkg:github/pairinteraction/database-sqdt","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pairinteraction%2Fdatabase-sqdt","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pairinteraction%2Fdatabase-sqdt/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pairinteraction%2Fdatabase-sqdt/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pairinteraction%2Fdatabase-sqdt/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/pairinteraction","download_url":"https://codeload.github.com/pairinteraction/database-sqdt/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/pairinteraction%2Fdatabase-sqdt/sbom","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":262265182,"owners_count":23284462,"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":[],"created_at":"2025-05-31T23:30:28.666Z","updated_at":"2025-06-27T13:31:51.725Z","avatar_url":"https://github.com/pairinteraction.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Tool for generating the SQDT database tables in the cloud\n\nCreate the database including tables of states and matrix elements calculated with single-channel quantum defect theory.\nDatabase tables are available through [GitHub Releases](https://github.com/pairinteraction/database-sqdt/releases).\n\n## Generate new tables locally\nRun the script to generate the tables via\n```bash\nuv run generate_database \u003cspecies\u003e --n-max 220\n```\n\n## Generate a new release\nTo generate a new release with all the important tables, simply create and push a new annotated tag with a tag name of the form `v*.*` .\nThis will run the `generate_database.yml` workflow, where first all tables are created (this happens for all commits, not only tags),\nand then in addition uploads the zipped versions of the tables to a new release with name `v*.*` .\nThe release is created in draft mode, so you can double-check, that all database tables are included and optionally add a release text.\nOnce you are happy with the release draft, don't forget to publish the release.\n\n## Misc\n\n### Profiling / Benchmarking\nTo check the performance of this tool and to look for bottlenecks in the code, you can use [py-spy](https://github.com/benfred/py-spy) to profile the code.\nTo do so install py-spy from pip and then run the following command:\n\n```bash\npy-spy record -o profiling.svg -- generate_database \u003cspecies\u003e --n-max \u003cn-max\u003e\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpairinteraction%2Fdatabase-sqdt","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fpairinteraction%2Fdatabase-sqdt","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fpairinteraction%2Fdatabase-sqdt/lists"}