{"id":15551423,"url":"https://github.com/seatonullberg/atompack","last_synced_at":"2026-01-07T20:06:26.578Z","repository":{"id":40956959,"uuid":"265321735","full_name":"seatonullberg/atompack","owner":"seatonullberg","description":"A flexible Python library for atomic structure generation.","archived":false,"fork":false,"pushed_at":"2023-07-06T22:30:28.000Z","size":429,"stargazers_count":0,"open_issues_count":2,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-03-08T00:36:02.120Z","etag":null,"topics":["computational-chemistry","crystallography","materials-science","simulation"],"latest_commit_sha":null,"homepage":"https://seatonullberg.github.io/atompack/atompack","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/seatonullberg.png","metadata":{"files":{"readme":"README.md","changelog":"CHANGELOG.md","contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null}},"created_at":"2020-05-19T17:53:44.000Z","updated_at":"2021-02-15T23:17:23.000Z","dependencies_parsed_at":"2022-09-10T00:13:18.126Z","dependency_job_id":"6eab3217-7ad6-40b2-b9f4-3b8c36c287a4","html_url":"https://github.com/seatonullberg/atompack","commit_stats":{"total_commits":136,"total_committers":1,"mean_commits":136.0,"dds":0.0,"last_synced_commit":"5d488ec8a4949cdeea3a97072ed092cc331c2198"},"previous_names":[],"tags_count":8,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/seatonullberg%2Fatompack","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/seatonullberg%2Fatompack/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/seatonullberg%2Fatompack/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/seatonullberg%2Fatompack/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/seatonullberg","download_url":"https://codeload.github.com/seatonullberg/atompack/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":246126669,"owners_count":20727594,"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":["computational-chemistry","crystallography","materials-science","simulation"],"created_at":"2024-10-02T14:04:56.935Z","updated_at":"2026-01-07T20:06:21.546Z","avatar_url":"https://github.com/seatonullberg.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# atompack\nA flexible Python library for atomic structure generation.\n\n## Installation\n\n### Download from [PyPI](https://pypi.org/project/atompack/)\n\nThis is the best method for end users.\n\n```bash\n$ pip install atompack\n```\n\n### Build from source\n\nThis is the best method for contributors or anyone who is interested in modifying the code.\n\n#### 1. Clone the source code with `git`:\n\n```bash\n$ git clone https://github.com/seatonullberg/atompack.git\n$ cd atompack\n```\n\n#### 2. Download the dependencies and install as editable:\n\nThis step can be done with either `pipenv` or `pip`. I recommend using `pipenv`. If you're not familiar with the benefits of using `pipenv`, find out more about it here: https://pipenv-fork.readthedocs.io/en/latest/.\n\nFor `pipenv` users:\n\n```bash\n$ pipenv install\n$ pipenv install --dev\n```\n\nFor `pip` users:\n\n```bash\n$ pip install -r requirements.txt\n$ pip install -e . [dev]\n```\n\n## Development\n\nThe project's [Makefile](Makefile) adds a few targets to help out with common development tasks.\n\n* `make bench` - Run the benchmark suite.\n* `make build` - Generate distribution files in `./dist`.\n* `make clean` - Remove auto-generated files.\n* `make document` - Build the documentation in `./docs`.\n* `make format` - Enforce preferred code style.\n* `make lint` - Run static analysis checks.\n* `make publish` - Upload distribution files to PyPI.\n* `make test` - Run the unit test suite.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fseatonullberg%2Fatompack","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fseatonullberg%2Fatompack","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fseatonullberg%2Fatompack/lists"}