{"id":34538653,"url":"https://github.com/vanderhe/fortnet-ase","last_synced_at":"2026-06-01T05:31:27.808Z","repository":{"id":43170958,"uuid":"418567187","full_name":"vanderhe/fortnet-ase","owner":"vanderhe","description":"Interfacing Fortnet with the Atomic Simulation Environment","archived":false,"fork":false,"pushed_at":"2025-01-21T20:36:02.000Z","size":67,"stargazers_count":0,"open_issues_count":1,"forks_count":0,"subscribers_count":1,"default_branch":"master","last_synced_at":"2026-04-06T01:10:44.786Z","etag":null,"topics":["atomic-simulation-environment","fortnet","fortran","interface","python"],"latest_commit_sha":null,"homepage":"https://github.com/vanderhe/fortnet","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"bsd-2-clause","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/vanderhe.png","metadata":{"files":{"readme":"README.rst","changelog":null,"contributing":"CONTRIBUTING.rst","funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":"AUTHORS.rst","dei":null,"publiccode":null,"codemeta":null}},"created_at":"2021-10-18T15:44:46.000Z","updated_at":"2025-01-21T20:36:02.000Z","dependencies_parsed_at":"2025-01-08T21:15:20.175Z","dependency_job_id":null,"html_url":"https://github.com/vanderhe/fortnet-ase","commit_stats":{"total_commits":14,"total_committers":1,"mean_commits":14.0,"dds":0.0,"last_synced_commit":"b3ddcd5a31613a88dda622b3156cd9af17e5099f"},"previous_names":[],"tags_count":2,"template":false,"template_full_name":null,"purl":"pkg:github/vanderhe/fortnet-ase","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vanderhe%2Ffortnet-ase","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vanderhe%2Ffortnet-ase/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vanderhe%2Ffortnet-ase/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vanderhe%2Ffortnet-ase/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/vanderhe","download_url":"https://codeload.github.com/vanderhe/fortnet-ase/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/vanderhe%2Ffortnet-ase/sbom","scorecard":{"id":915798,"data":{"date":"2025-08-11","repo":{"name":"github.com/vanderhe/fortnet-ase","commit":"8961e51d03b715a61314e4f249500be0b7cafb4c"},"scorecard":{"version":"v5.2.1-40-gf6ed084d","commit":"f6ed084d17c9236477efd66e5b258b9d4cc7b389"},"score":3.1,"checks":[{"name":"Binary-Artifacts","score":10,"reason":"no binaries found in the repo","details":null,"documentation":{"short":"Determines if the project has generated executable (binary) artifacts in the source repository.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#binary-artifacts"}},{"name":"Dangerous-Workflow","score":10,"reason":"no dangerous workflow patterns detected","details":null,"documentation":{"short":"Determines if the project's GitHub Action workflows avoid dangerous patterns.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#dangerous-workflow"}},{"name":"Code-Review","score":0,"reason":"Found 0/17 approved changesets -- score normalized to 0","details":null,"documentation":{"short":"Determines if the project requires human code review before pull requests (aka merge requests) are merged.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#code-review"}},{"name":"Pinned-Dependencies","score":0,"reason":"dependency not pinned by hash detected -- score normalized to 0","details":["Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/ci.yml:11: update your workflow using https://app.stepsecurity.io/secureworkflow/vanderhe/fortnet-ase/ci.yml/master?enable=pin","Warn: GitHub-owned GitHubAction not pinned by hash: .github/workflows/ci.yml:13: update your workflow using https://app.stepsecurity.io/secureworkflow/vanderhe/fortnet-ase/ci.yml/master?enable=pin","Warn: pipCommand not pinned by hash: .github/workflows/ci.yml:19","Info:   0 out of   2 GitHub-owned GitHubAction dependencies pinned","Info:   0 out of   1 pipCommand dependencies pinned"],"documentation":{"short":"Determines if the project has declared and pinned the dependencies of its build process.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#pinned-dependencies"}},{"name":"Packaging","score":-1,"reason":"packaging workflow not detected","details":["Warn: no GitHub/GitLab publishing workflow detected."],"documentation":{"short":"Determines if the project is published as a package that others can easily download, install, easily update, and uninstall.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#packaging"}},{"name":"Maintained","score":0,"reason":"0 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 0","details":null,"documentation":{"short":"Determines if the project is \"actively maintained\".","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#maintained"}},{"name":"Token-Permissions","score":0,"reason":"detected GitHub workflow tokens with excessive permissions","details":["Warn: no topLevel permission defined: .github/workflows/ci.yml:1","Info: no jobLevel write permissions found"],"documentation":{"short":"Determines if the project's workflows follow the principle of least privilege.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#token-permissions"}},{"name":"CII-Best-Practices","score":0,"reason":"no effort to earn an OpenSSF best practices badge detected","details":null,"documentation":{"short":"Determines if the project has an OpenSSF (formerly CII) Best Practices Badge.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#cii-best-practices"}},{"name":"Security-Policy","score":0,"reason":"security policy file not detected","details":["Warn: no security policy file detected","Warn: no security file to analyze","Warn: no security file to analyze","Warn: no security file to analyze"],"documentation":{"short":"Determines if the project has published a security policy.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#security-policy"}},{"name":"Fuzzing","score":0,"reason":"project is not fuzzed","details":["Warn: no fuzzer integrations found"],"documentation":{"short":"Determines if the project uses fuzzing.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#fuzzing"}},{"name":"License","score":10,"reason":"license file detected","details":["Info: project has a license file: LICENSE:0","Info: FSF or OSI recognized license: BSD 2-Clause \"Simplified\" License: LICENSE:0"],"documentation":{"short":"Determines if the project has defined a license.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#license"}},{"name":"Signed-Releases","score":-1,"reason":"no releases found","details":null,"documentation":{"short":"Determines if the project cryptographically signs release artifacts.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#signed-releases"}},{"name":"Branch-Protection","score":-1,"reason":"internal error: error during branchesHandler.setup: internal error: githubv4.Query: Resource not accessible by integration","details":null,"documentation":{"short":"Determines if the default and release branches are protected with GitHub's branch protection settings.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#branch-protection"}},{"name":"Vulnerabilities","score":3,"reason":"7 existing vulnerabilities detected","details":["Warn: Project is vulnerable to: PYSEC-2018-34 / GHSA-2fc2-6r4j-p65h","Warn: Project is vulnerable to: PYSEC-2021-856 / GHSA-5545-2q6w-2gh6","Warn: Project is vulnerable to: PYSEC-2019-108 / GHSA-9fq2-x9r6-wfmf","Warn: Project is vulnerable to: PYSEC-2018-33 / GHSA-cw6w-4rcx-xphc","Warn: Project is vulnerable to: PYSEC-2021-857 / GHSA-f7c7-j99h-c22f","Warn: Project is vulnerable to: GHSA-fpfv-jqm9-f5jm","Warn: Project is vulnerable to: PYSEC-2017-1 / GHSA-frgw-fgh6-9g52"],"documentation":{"short":"Determines if the project has open, known unfixed vulnerabilities.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#vulnerabilities"}},{"name":"SAST","score":0,"reason":"SAST tool is not run on all commits -- score normalized to 0","details":["Warn: 0 commits out of 12 are checked with a SAST tool"],"documentation":{"short":"Determines if the project uses static code analysis.","url":"https://github.com/ossf/scorecard/blob/f6ed084d17c9236477efd66e5b258b9d4cc7b389/docs/checks.md#sast"}}]},"last_synced_at":"2025-08-24T20:55:55.726Z","repository_id":43170958,"created_at":"2025-08-24T20:55:55.726Z","updated_at":"2025-08-24T20:55:55.726Z"},"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":33762215,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-05-26T15:22:16.424Z","status":"online","status_checked_at":"2026-06-01T02:00:06.963Z","response_time":115,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"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":["atomic-simulation-environment","fortnet","fortran","interface","python"],"created_at":"2025-12-24T06:12:45.532Z","updated_at":"2026-06-01T05:31:27.784Z","avatar_url":"https://github.com/vanderhe.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"***********************************************************************\nfortnet-ase: Interfacing Fortnet with the Atomic Simulation Environment\n***********************************************************************\n\n|license|\n|latest version|\n|doi|\n|issues|\n\nfortnet-ase provides an interface between the neural network implementation\n`Fortnet \u003chttps://github.com/vanderhe/fortnet\u003e`_ and the Atomic Simulation\nEnvironment (`ASE \u003chttps://wiki.fysik.dtu.dk/ase/\u003e`_). The calculator employs\nFortnet as a prediction engine for the total energy of a system as well as the\ncalculation of atomic forces, e.g. for geometry optimizations and molecular\ndynamics.\n\n|logo|\n\nInstallation\n============\n\nPlease note, that this package has been tested for Python 3.X support. Its usage\nadditionally requires\n\n- `Atomic Simulation Environment\n  \u003chttps://wiki.fysik.dtu.dk/ase/install.html\u003e`_ (`ase`)\n- `Fortnet Python tools \u003chttps://github.com/vanderhe/fortnet-python\u003e`_\n  (`fortnet-python`)\n\nas well as the `pytest` framework in order to run the regression tests.\n\nVia the Python Package Index\n----------------------------\n\nFirst, make sure you have an up-to-date version of pip installed::\n\n  python -m pip install --upgrade pip\n\nThe package can be downloaded and installed via pip into the active Python\ninterpreter (preferably using a virtual python environment) by ::\n\n  pip install fortnet-ase\n\nor into the user space issueing::\n\n  pip install --user fortnet-ase\n\nLocally from Source\n-------------------\n\nAlternatively, you can install it locally from source, i.e. from the root folder\nof the project::\n\n  python -m pip install .\n\nDocumentation\n=============\n\n|docs status|\n\nConsult following resources for documentation:\n\n* `Step-by-step instructions with selected examples (Fortnet Recipes)\n  \u003chttps://fortnet.readthedocs.io/en/latest/interfaces/ase/index.html\u003e`_\n\nContributing\n============\n\nNew features, bug fixes, documentation, tutorial examples and code testing is\nwelcome during the ongoing fortnet-ase development!\n\nThe project is `hosted on github \u003chttps://github.com/vanderhe/fortnet-ase/\u003e`_.\nPlease check `CONTRIBUTING.rst \u003cCONTRIBUTING.rst\u003e`_ for guide lines.\n\nI am looking forward to your pull request!\n\nLicense\n=======\n\nfortnet-ase is released under the BSD 2-clause license. See the included\n`LICENSE \u003cLICENSE\u003e`_ file for the detailed licensing conditions.\n\n.. |logo| image:: ./utils/art/logo.svg\n    :alt: Fortnet logo\n    :width: 90\n    :target: https://github.com/vanderhe/fortnet/\n\n.. |license| image:: https://img.shields.io/github/license/vanderhe/fortnet-ase\n    :alt: BSD-2-Clause\n    :scale: 100%\n    :target: https://opensource.org/licenses/BSD-2-Clause\n\n.. |latest version| image:: https://img.shields.io/github/v/release/vanderhe/fortnet-ase\n    :target: https://github.com/vanderhe/fortnet-ase/releases/latest\n\n.. |doi| image:: https://zenodo.org/badge/356394988.svg\n   :target: https://zenodo.org/badge/latestdoi/356394988\n\n.. |docs status| image:: https://readthedocs.org/projects/fortnet/badge/?version=latest\n    :alt: Documentation Status\n    :scale: 100%\n    :target: https://fortnet-python.readthedocs.io/en/latest/\n\n.. |issues| image:: https://img.shields.io/github/issues/vanderhe/fortnet-ase.svg\n    :target: https://github.com/vanderhe/fortnet-ase/issues/\n\n.. |build status| image:: https://img.shields.io/github/workflow/status/vanderhe/fortnet-ase/CI\n    :target: https://github.com/vanderhe/fortnet-ase/actions/\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvanderhe%2Ffortnet-ase","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fvanderhe%2Ffortnet-ase","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fvanderhe%2Ffortnet-ase/lists"}