Public recordModerate
Software health reportschema 0.27.0 · metrics 1.13.0 · 2026-07-28 23:42 UTC
HaoZeke / eOn
eOn v3 and beyond
HaoZeke/eOn holds a health index of 58 out of 100, placing it in the Moderate band. It scores highest on Vitality (89/100) and lowest on Community & Adoption (12/100). It was last updated 1 day ago. 2 contributors account for most of its recent work.
58
overall / 100Software health index
Metrics are grouped into weighted categories on one standardized 1–100 scale. Overall starts as their weighted mean; when public evidence triggers the High-Risk Jurisdiction Policy, the rating is adjusted and receives an At risk ceiling of 49. AI Readiness sits outside the overall score.
58
Excellent85-100Exemplary; meets essentially all checked criteria
Good70-84Healthy; minor gaps
Moderate50-69Acceptable with notable gaps; review recommended
At risk30-49Significant weaknesses; adoption warrants caution
Critical1-29Severe problems (abandoned, single-maintainer, no hygiene)
Score profile
Each axis is a category. The shape matters more than the average — a healthy subject fills the whole shape, while a spike-and-crater profile means strength in one dimension is masking risk in another.
Ownership
Rohit GoswamiPersonal account
290 followers424 public repossince May 2013@TheochemUI, @lab-cosmo, @metatensor
This repository is owned by a personal account. A single-owner project carries more continuity risk than an organization-backed one.
Package ecosystems
| Registry | Package | Version | Downloads / mo | Versions | Last publish | Tags |
|---|---|---|---|---|---|---|
| PyPI | eon-akmcpoints to another repo — not scored | 3.0.0 | - | 4 | 2 days ago | — |
| PyPI | eon-schemapoints to another repo — not scored | 0.2.2 | - | 3 | 11 days ago | akmccapnpeonpydanticpyeonclientschema |
Metrics by category
Vitality
Is the project alive — is code being written and are releases shipping?
89
Development activity
88Excellent
How it's scored
| 36/36 | Push recency — last push 1 days ago |
| 23.5/36 | Commit cadence — 34/52 weeks with commits |
| 18/18 | Commit volume — 900 commits in the last year |
| 10/10 | OpenSSF Scorecard: Maintained — 30 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10 |
Inputs used
| commits_last_year | 900 |
| human_commit_share | 1 |
| days_since_last_push | 1 |
| active_weeks_last_year | 34 |
Release discipline
90Excellent
How it's scored
| 27/27 | Ships releases — 10 releases published |
| 36/36 | Release recency — latest release 8 days ago |
| 27/27 | Release cadence — a release every ~2.6 days |
| 0/10 | OpenSSF Scorecard: Signed-Releases — Project has not signed or included provenance with any releases. |
Inputs used
| releases_count | 10 |
| latest_release_tag | v2.17.10 |
| releases_from_tags | no |
| days_since_latest_release | 8 |
| mean_days_between_releases | 2.6 |
Community & Adoption
Does the project have users, downloads, attention, and a welcoming setup for contributors?
12
Popularity & adoption
1Critical
How it's scored
| 0/60 | Stars — 0 stars |
| 0/25 | Forks — 0 forks |
| 0/15 | Watchers — 0 watchers |
Inputs used
| forks | 0 |
| stars | 0 |
| watchers | 0 |
| growth_state | unverified |
| growth_factor_pct | 100 |
| growth_unverified_reason | no_history |
Community health
25Critical
How it's scored
| 0/22.5 | README |
| 22.5/22.5 | License — recognized license (BSD-3-Clause) |
| 0/18 | CONTRIBUTING guide |
| 0/13.5 | Code of conduct |
| 0/7.2 | Issue template |
| 0/6.3 | PR template |
Inputs used
| has_readme | no |
| has_license | no |
| has_contributing | no |
| has_issue_template | no |
| has_code_of_conduct | no |
| has_pull_request_template | no |
Sustainability & Governance
Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?
51
Maintainer resilience (bus factor)
60Moderate
How it's scored
| 25.2/54 | Bus factor — 2 contributor(s) cover half of all commits |
| 11.7/22.5 | Commit distribution — top contributor authored 48% of commits |
| 13.5/13.5 | Contributor breadth — 17 contributors |
| 10/10 | OpenSSF Scorecard: Contributors — project has 37 contributing companies or organizations |
Inputs used
| bus_factor | 2 |
| contributors_sampled | 17 |
| top_contributor_share | 0.478 |
Issue & PR responsiveness
24Critical
How it's scored
| 0/46.8 | Issue resolution — no issues or no data |
| 12.8/38.3 | PR acceptance — 1/3 decided PRs merged |
| 0/15 | OpenSSF Scorecard: Code-Review — Found 0/30 approved changesets -- score normalized to 0 |
Inputs used
| merged_prs | 1 |
| open_issues | 0 |
| closed_issues | 0 |
| issue_closed_ratio | — |
| closed_unmerged_prs | 2 |
Excluded from scoring (no data or not applicable): Issue resolution. Remaining weights renormalized.
Ownership & stewardship
66Moderate
How it's scored
| 10/30 | Ownership backing — personal (user) account |
| 0/20 | Verified domain — not applicable to user accounts |
| 17.7/25 | Owner reach — 290 followers of HaoZeke |
| 25/25 | Track record — 424 public repos, account ~13 yr old |
Inputs used
| followers | 290 |
| owner_type | User |
| is_verified | — |
| owner_login | HaoZeke |
| public_repos | 424 |
| account_age_days | 4,833 |
Excluded from scoring (no data or not applicable): Verified domain. Remaining weights renormalized.
Engineering Quality
Are baseline engineering and documentation practices in place?
75
Engineering practices
92Excellent
How it's scored
| 24/24 | CI workflows — 19 workflow(s) |
| 24/24 | Tests present |
| 16/16 | Linter config — ruff.toml |
| 9.6/9.6 | Pre-commit hooks |
| 0/6.4 | .editorconfig |
| 0/20 | OpenSSF Scorecard: CI-Tests — no data |
Inputs used
| has_ci | yes |
| has_tests | yes |
| has_editorconfig | no |
| has_linter_config | yes |
| has_precommit_config | yes |
Excluded from scoring (no data or not applicable): OpenSSF Scorecard: CI-Tests. Remaining weights renormalized.
Documentation
50Moderate
How it's scored
| 0/30 | README |
| 25/25 | Documentation directory |
| 15/15 | Documentation / homepage site — https://theochemui.github.io/eOn/ |
| 0/10 | Repository description |
| 0/10 | Topics |
| 10/10 | Wiki |
Inputs used
| topics | — |
| has_wiki | yes |
| homepage | https://theochemui.github.io/eOn/ |
| has_readme | no |
| has_docs_dir | yes |
| has_description | no |
Security
Are visible security and supply-chain practices strong, without unresolved high-risk jurisdiction exposure?
54
Security posture
42At risk
How it's scored
| 7.5/7.5 | Binary-Artifacts — no binaries found in the repo |
| 0/7.5 | Branch-Protection — no data |
| 0/2.5 | CI-Tests — no data |
| 0/2.5 | CII-Best-Practices — no effort to earn an OpenSSF best practices badge detected |
| 0/7.5 | Code-Review — Found 0/30 approved changesets -- score normalized to 0 |
| 2.5/2.5 | Contributors — project has 37 contributing companies or organizations |
| 10/10 | Dangerous-Workflow — no dangerous workflow patterns detected |
| 0/7.5 | Dependency-Update-Tool — no update tool detected |
| 0/5 | Fuzzing — project is not fuzzed |
| 2.5/2.5 | License — license file detected |
| 7.5/7.5 | Maintained — 30 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10 |
| 5/5 | Packaging — packaging workflow detected |
| 0/5 | Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0 |
| 0/5 | SAST — no SAST tool detected |
| 5/5 | Security-Policy — security policy file detected |
| 0/7.5 | Signed-Releases — Project has not signed or included provenance with any releases. |
| 0/7.5 | Token-Permissions — detected GitHub workflow tokens with excessive permissions |
| 0/7.5 | Vulnerabilities — 15 existing vulnerabilities detected |
Inputs used
| source | openssf_scorecard |
| checks_evaluated | 16 |
| scorecard_version | v5.5.0 |
| checks_inconclusive | 2 |
| scorecard_aggregate | 4.2 |
Excluded from scoring (no data or not applicable): branch_protection, ci_tests. Remaining weights renormalized.
Dependency advisories
100Excellent
How it's scored
| 35/35 | Direct dependencies free of known advisories — no direct dependency carries a known advisory |
| 25/25 | Indirect dependencies free of known advisories — no indirect dependency carries a known advisory |
| 0/40 | No advisories left outstanding — no advisory carries a publication date |
Inputs used
| source | osv |
| advisories | 0 |
| affected_packages | 0 |
| assessed_packages | 10 |
| unassessed_packages | 0 |
| affected_by_severity | none |
| direct_affected_packages | 0 |
Excluded from scoring (no data or not applicable): No advisories left outstanding. Remaining weights renormalized. Matched the pypi:eon-akmc@3.0.0 runtime dependency closure — what installing the published package pulls in — 10 packages. Reachability is not analyzed.
AI Readiness
How well is the repo equipped to be developed and maintained with AI coding agents? An independent, experimental badge — weight 0.0, so it is surfaced on its own and does not affect the overall health score.
62
Agent context & guidance
40At risk
How it's scored
| 0/45 | Agent instructions — no CLAUDE.md / AGENTS.md / editor rules |
| 0/15 | Machine-readable docs (llms.txt) |
| 40/40 | Legible commit history — 97 of 100 human commits state their intent (structured subject or explanatory body) |
Inputs used
| has_llms_txt | no |
| legible_history_share | 0.97 |
| agent_instruction_files | — |
| agent_instruction_max_bytes | — |
How it's scored
| 18/18 | One-command bootstrap — client/potentials/AMS/Makefile, client/potentials/AMS_IO/Makefile, client/potentials/ASE/Makefile, client/potentials/Aluminum/Makefile, client/potentials/EAM/Makefile, client/potentials/EDIP/Makefile, client/potentials/EMT/Makefile, client/potentials/ExtPot/Makefile, client/potentials/FeHe/Makefile, client/potentials/GPRPotential/Makefile, client/potentials/IMD/Makefile, client/potentials/LAMMPS/Makefile, client/potentials/LJ/Makefile, client/potentials/LJCluster/Makefile, client/potentials/Lenosky/Makefile, client/potentials/MPIPot/Makefile, client/potentials/Morse/Makefile, client/potentials/NewPot/Makefile, client/potentials/PyAMFF/Makefile, client/potentials/PyAMFF/lib/Makefile, client/potentials/QSC/Makefile, client/potentials/SW/Makefile, client/potentials/Tersoff/Makefile, client/potentials/VASP/Makefile, client/potentials/Water/Makefile, client/potentials/Water_H/Makefile, client/potentials/Water_Pt/Makefile, docs/old_docs/Makefile, eon/mcamc/Makefile, eon/mcamc/libqd/Makefile, tools/mastereqn/Makefile |
| 22/22 | Automated tests |
| 11/11 | Lint / format config — ruff.toml |
| 11/11 | Static type checking — C++ (statically typed) |
| 10/10 | Reproducible environment — Nix, lockfile |
| 0/10 | Demonstrated agent practice — no agent-authored commits among the last 100 |
| 0/8 | Automated maintenance — no automated dependency updates observed |
| 0/10 | OpenSSF Scorecard: Pinned-Dependencies — dependency not pinned by hash detected -- score normalized to 0 |
Inputs used
| has_nix | yes |
| has_tests | yes |
| lockfiles | Gemfile.lock, uv.lock |
| has_dockerfile | no |
| typed_language | yes |
| bootstrap_files | client/potentials/AMS/Makefile, client/potentials/AMS_IO/Makefile, client/potentials/ASE/Makefile, client/potentials/Aluminum/Makefile, client/potentials/EAM/Makefile, client/potentials/EDIP/Makefile, client/potentials/EMT/Makefile, client/potentials/ExtPot/Makefile, client/potentials/FeHe/Makefile, client/potentials/GPRPotential/Makefile, client/potentials/IMD/Makefile, client/potentials/LAMMPS/Makefile, client/potentials/LJ/Makefile, client/potentials/LJCluster/Makefile, client/potentials/Lenosky/Makefile, client/potentials/MPIPot/Makefile, client/potentials/Morse/Makefile, client/potentials/NewPot/Makefile, client/potentials/PyAMFF/Makefile, client/potentials/PyAMFF/lib/Makefile, client/potentials/QSC/Makefile, client/potentials/SW/Makefile, client/potentials/Tersoff/Makefile, client/potentials/VASP/Makefile, client/potentials/Water/Makefile, client/potentials/Water_H/Makefile, client/potentials/Water_Pt/Makefile, docs/old_docs/Makefile, eon/mcamc/Makefile, eon/mcamc/libqd/Makefile, tools/mastereqn/Makefile |
| has_devcontainer | no |
| has_linter_config | yes |
| typecheck_configs | — |
| agent_commit_share | 0 |
| toolchain_manifests | — |
| dependency_bot_commit_share | 0 |
Code legibility for models
99Excellent
How it's scored
| 45/45 | Type-checkable code — C++ (statically typed) |
| 54.2/55 | Manageable file sizes — 9/622 source files over 60KB |
Inputs used
| primary_language | C++ |
| largest_source_bytes | 531,489 |
| source_files_sampled | 622 |
| oversized_source_files | 9 |
Machine-readable interfaces
40At risk
How it's scored
| 0/40 | API schema (OpenAPI/GraphQL/proto) |
| 0/20 | MCP server |
| 40/40 | Runnable examples — examples |
Inputs used
| example_dirs | examples |
| has_mcp_signal | no |
| api_schema_files | — |
Key facts
0GitHub stars
17contributors
900commits, last 12 months
1days since last push
10releases
2bus factor
0open issues
PyPI, RubyGemspackage ecosystems
Data collection warnings
- Community profile unavailable
- pypi package 'eon-akmc' points at a different repository (https://github.com/TheochemUI/eOn); excluded from ecosystem scoring
- pypi package 'eon-schema' points at a different repository (https://github.com/TheochemUI/eOn); excluded from ecosystem scoring
- GitHub dependency-graph SBOM unavailable (404); the dependency graph may be disabled for this repository
More detail
OpenSSF Scorecard 4.2 / 10
4.2aggregate
Independent, tool-agnostic security assessment from the open-source OpenSSF Scorecard. Each check rewards a security practice, not a specific vendor's tool. Checks Scorecard could not determine are marked n/a and excluded from the security score (never counted as zero).
| 10 | Binary-Artifacts | no binaries found in the repo |
| n/a | Branch-Protection | internal error: error during branchesHandler.setup: internal error: some github tokens can't read classic branch protection rules: https://github.com/ossf/scorecard-action/blob/main/docs/authentication/fine-grained-auth-token.md |
| n/a | CI-Tests | no pull request found |
| 0 | CII-Best-Practices | no effort to earn an OpenSSF best practices badge detected |
| 0 | Code-Review | Found 0/30 approved changesets -- score normalized to 0 |
| 10 | Contributors | project has 37 contributing companies or organizations |
| 10 | Dangerous-Workflow | no dangerous workflow patterns detected |
| 0 | Dependency-Update-Tool | no update tool detected |
| 0 | Fuzzing | project is not fuzzed |
| 10 | License | license file detected |
| 10 | Maintained | 30 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10 |
| 10 | Packaging | packaging workflow detected |
| 0 | Pinned-Dependencies | dependency not pinned by hash detected -- score normalized to 0 |
| 0 | SAST | no SAST tool detected |
| 10 | Security-Policy | security policy file detected |
| 0 | Signed-Releases | Project has not signed or included provenance with any releases. |
| 0 | Token-Permissions | detected GitHub workflow tokens with excessive permissions |
| 0 | Vulnerabilities | 15 existing vulnerabilities detected |
Direct dependencies 11
| Registry | Package | Version constraint | Manifest |
|---|---|---|---|
| RubyGems | tty-command | — | Gemfile |
| RubyGems | tty-prompt | — | Gemfile |
| RubyGems | tty-file | — | Gemfile |
| RubyGems | solid_assert | — | Gemfile |
| RubyGems | inifile | — | Gemfile |
| PyPI | numpy | >=1.26.4 | pyproject.toml |
| PyPI | readcon | >=0.13.0 | pyproject.toml |
| PyPI | vesin | >=0.6.0 | pyproject.toml |
| PyPI | eon-schema | >=0.2.0 | pyproject.toml |
| PyPI | pydantic | >=2.0 | packages/eon-schema/pyproject.toml |
| PyPI | typing_extensions | >=4.0 | packages/eon-schema/pyproject.toml |
All dependencies not collected
The resolved dependency set could not be collected for this report: GitHub dependency-graph SBOM unavailable (404); the dependency graph may be disabled for this repository
Dependency advisories 0
Installing pypi:eon-akmc@3.0.0 pulls in 10 packages, direct and transitive: 0 carry known advisories, of which 0 are direct dependencies.
No known advisories affect the assessed dependencies.
An advisory means the version recorded in the dependency graph falls inside an advisory’s affected range. Reachability is not analysed, and the graph includes development and test pins — a finding may concern tooling rather than shipped software.
Raw JSON report machine-readable
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},
{
"oid": "508c6d59bdc95f0a636159fd0c67b9016832d2d7",
"body": "Restore/push long-lived results on the asv-results orphan branch so\nhistory survives Actions cache eviction. Deploy tachyon UI to\ngh-pages/bench and optionally Netlify when secrets are set.",
"is_bot": false,
"headline": "feat(asv): orphan asv-results history + Netlify optional deploy",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-22T12:29:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "14459a873166192737eae4c1b7e116e6f26ea2b6",
"body": "Add ASV dashboard workflow: build eonclient, run asv, publish with\nasv-tachyon, deploy under gh-pages/bench (keeps docs at site root).\nasv.conf gets show_commit_url; benchmarks README documents local and CI.",
"is_bot": false,
"headline": "feat(asv): continuous tachyon dashboard on gh-pages/bench",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-22T12:17:11Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "9d440d505a8dd449cb1665469633aeb3395ef33f",
"body": "Add windows-latest to ci_metatomic (pip_metatomic + with_tests, static\ndefault-library, MSVC link path scrub) so MetatomicEngineAbiTest and other\nMSVC-only failures surface in GHA instead of only on conda-forge.\n\nRun meson test on the basic AKMC matrix (including Windows) after install;\nkeep Python server smoke as a separate step.",
"is_bot": false,
"headline": "ci: exercise Windows unit tests and metatomic on MSVC",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-21T19:02:25Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "e8dd7acf0963b1b9bed5d2e266012734570a5554",
"body": "eonclient --features under-reported Metatomic/XTB/serve/etc. because\nversion.h was generated before with_* blocks appended -D flags. Move the\nscan and configure_file to just before eclib so the report matches the link.",
"is_bot": false,
"headline": "fix(build): assemble features_string after optional -DWITH_* flags",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-21T19:02:24Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "29ff7efb0fe2ab61004270e25503f5af2b92b41a",
"body": null,
"is_bot": false,
"headline": "style(test): ASCII hyphens in MetatomicEngineAbiTest comment",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-21T17:51:32Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "af815ec14a1daceeff12b09c4063335315462764",
"body": "Replace raw dlfcn.h/dlopen with client/DynLib.h so the ABI symbol\ncheck builds and runs on MSVC. Try platform library names (.so/.dylib/.dll)\nand EON_POTENTIALS_PATH candidates; WARN+return when the engine is absent.\nReverts the Windows-only test registration skip.",
"is_bot": false,
"headline": "fix(test): MetatomicEngineAbiTest via DynLib (Windows+POSIX)",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-21T17:49:47Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "45628432b8ee09de4884dd69248fbb3a592e1d8b",
"body": "The test includes dlfcn.h and uses dlopen/dlsym; MSVC has no dlfcn.\nProduction loaders already go through DynLib.h (LoadLibrary). Gate the\nunit test with not is_windows until rewritten for Windows DLL naming.",
"is_bot": false,
"headline": "fix(test): skip MetatomicEngineAbiTest on Windows",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T22:28:04Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "0b383f965b2089e334230842893e2f07877b883a",
"body": null,
"is_bot": false,
"headline": "fix(pyeonclient): sync _core __version__ string to 0.3.6",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:51:43Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "25782e809ca8471f2ce17d804413dbde47ebdf2b",
"body": "Ship EDIP OpenMP energy reduction fix and durable optimizer file logs in\nthe nanobind wheel matrix (same monorepo client tree as v2.17.10).",
"is_bot": false,
"headline": "chore(pyeonclient): 0.3.6 lockstep with eOn 2.17.10 client fixes",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:50:06Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "1853f99d65a4378e3ffb7f1f0b7df9f10ea1eeb2",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.10",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:36:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "fbdec5266d8d602056f6855a07e90f7c9f34e363",
"body": "Optimizer FileScoped loggers wrote CWD-relative paths like _lbfgs.log.\nJob fixtures delete their /tmp workdirs while Quill keeps process-lifetime\nsinks, causing noisy fopen failures. Route relative file logs under\n\\$TMPDIR/eon_logs.\n\nRgpot embed tests correctly SKIP without nwchemc/cpmdc; Catch2 exits 4\nwhen every case is skipped. Pass --allow-running-no-tests so packaging\nbuilds treat intentional all-skip as success without dropping the cases.",
"is_bot": false,
"headline": "fix(log,tests): durable optimizer file logs; Catch2 optional rgpot suite",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:36:37Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "51aaa2b953b37e2d5ae7b6d026a5694510f41099",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.9",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:27:09Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "a096a8afe16d4de4cd700cf51bd34496d0e90ec0",
"body": "The parallel EDIP energy reduction zeroed shared ener/fxyz only on\nthread 0 without a barrier, so other threads could critical-add into\nstale accumulators. PointJob energies were wrong under OMP_NUM_THREADS>1\nwhile forces still looked plausible. Zero under !$omp single (implicit\nbarrier) before part\n[…]\nFD curvature probe on the first step of each\nminimize accounts for 1692 vs the legacy 1685 SVN dump. Physics\nassertions (energy, acceptance ratio) are unchanged; no test config\noverride of auto_scale.",
"is_bot": false,
"headline": "fix(edip): barrier shared energy zero in OpenMP force path",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:27:08Z",
"body_truncated": true,
"is_coding_agent": false
},
{
"oid": "48d6a0f8012eed88527ec131a6330d40c2069808",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.8",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:18:46Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "934fece06b443038e0fb7bb4c9008ee409046a99",
"body": "EDIP Fortran energy reduction races when OMP_NUM_THREADS>1 (shared ener\nnot zeroed under a barrier), producing wrong energies while forces can\nstill look right. Pin OpenMP to one thread around the Fortran force call.\n\nBasin-hopping force-call budget matches SVN only with LBFGS auto_scale off\n(auto_scale does an FD force probe on the first step of each minimize).\nPin that in the integration test so the bound stays a real regression check.",
"is_bot": false,
"headline": "fix(edip,tests): serial EDIP under OpenMP; pin basin LBFGS to SVN path",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T20:18:46Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "949d9b9ade519e8010ab73848a999b642e10b060",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.7",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:58:57Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f29b2326d13395bd9a5dbc2b888466418befe7fb",
"body": "The packaging SKIP refactor left the CG minimization TEST_CASE inside the\nLBFGS case body, so Catch2 macro expansion failed to compile SiPotTest.",
"is_bot": false,
"headline": "fix(tests): un-nest SW CG SiPot TEST_CASE",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:58:56Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "9366a98bf4bce979da386eb9f455c4bec11463a8",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.6",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:47:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "d2c138aff83c2a00a1b97da947ce184074ee073e",
"body": "The SKIP-macro refactor closed the fixture class early and left runJob as a\nfree function, so TEST_CASE_METHOD could not inherit members and packaging\nbuilds failed to compile JobIntegrationTest.cpp.",
"is_bot": false,
"headline": "fix(tests): keep JobIntegrationFixture::runJob a class method",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:47:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "e591f7ea07a65efa9346ada6b9db59d995e27482",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.5",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:40:44Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "9f803092a63b1d3d77524b17d8e26af520aca39d",
"body": null,
"is_bot": false,
"headline": "fix(tests): expand SKIP via macro in job fixture callers",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:40:43Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "8364e5ade6cb3103b402b21e5a0451135a1d1f9a",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.4",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:39:20Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "055232c3031ca253799d2b9ddaf211281970918b",
"body": "Helpers cannot call SKIP (Catch expands a nested static). Use macros in\nSiPotTest and a requireTestData wrapper on the job fixture instead.",
"is_bot": false,
"headline": "fix(tests): Catch2 SKIP only from TEST_CASE bodies",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:38:37Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "200d9155d7941e85d1afd539f03c86df0d153605",
"body": null,
"is_bot": false,
"headline": "chore(version): v2.17.3",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:30:10Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "4035e0516fce5e931020aae0ce97fbe2ed63445d",
"body": "fix(tests): skip when fixtures or engines missing",
"is_bot": false,
"headline": "Merge pull request #375 from HaoZeke/fix/test-skip-missing-deps",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:27:36Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "d908f719df38e002e022d2ac20764974d1244f97",
"body": "Job integration resolves systems data via EON_TEST_SYSTEMS_DIR (set by\nmeson) and SKIPs if the directory is absent. Si pot tests SKIP when\npos.con is missing or a fortran potential returns no energy. Packaging\ninstalls can run meson test without local fixture trees or nwchemc/cpmdc.",
"is_bot": false,
"headline": "fix(tests): skip unit tests when fixtures or engines are missing",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-20T19:14:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "e4467a3f9a7364892c93e9d504dc3394846041d4",
"body": "fix(metatomic): vesin 0.6 + rgpot 2.5.2 for RGPOT engines",
"is_bot": false,
"headline": "Merge pull request #374 from HaoZeke/fix/vesin06-rgpot-252",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T15:07:11Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "8c9571ad225ac9b4efbf6542a2cebbfffec6732e",
"body": "CI uses pixi install --locked; metatomic feature floors moved to vesin 0.6.",
"is_bot": false,
"headline": "chore(pixi): refresh lock for vesin 0.6 metatomic pins",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T14:42:46Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "2e38d7fb0a3e12e7563ad57ed0044e5ca9b03392",
"body": "Align bind __version__ with pyproject-pyeonclient.toml and point the\nrgpot subproject wrap at the released v2.5.2 tag.",
"is_bot": false,
"headline": "chore(pyeonclient): lockstep 0.3.5; rgpot wrap v2.5.2",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T14:31:03Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f230766b350a4edd24833a5b17a963c0b51bebba",
"body": "Metatomic/RGPOT engines pass VesinOptions by value; vesin 0.6 added skin\nand n_threads. Align pixi/pyeonclient/eon-akmc pins and the rgpot wrap\nwith rgpot 2.5.2 so dlopen forces no longer fail with a bare\nvesin_neighbors error.",
"is_bot": false,
"headline": "fix(metatomic): pin vesin 0.6 and rgpot 2.5.2 for VesinOptions ABI",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T13:05:44Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "e10f09d12a6ddd8f342b158ef213c124a6d63e3a",
"body": null,
"is_bot": false,
"headline": "style(client): clang-format GPRHelpers after Eigen Coord adaptation",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T11:59:30Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "bdff082b7a3ef6adb60650ae1aecb1e3314e4c57",
"body": "gpr_optim replaced Field/Coord with RowMajor Eigen matrices (1×N /\n1×3N). Update eOn glue: (0,i) indexing, no clear() on Coord, flatten\nAtomMatrix via memcpy, getFinalOrientation by const-ref, and explicit\nMOVING/FROZEN atoms. Matches the stabilized gpr_optim pin.",
"is_bot": false,
"headline": "fix(client): adapt AtomicGPDimer/GPRHelpers to Eigen gpr::Coord",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T11:38:46Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "a712b9b05515eff5fa0151c7cf0a7ef4360ab801",
"body": "atmd::AtomicDimer is neither copyable nor movable (user-declared\ndestructor + unique_ptr member), so AtomicGPDimer cannot be passed as a\ntemporary into std::variant. Use std::in_place_type so the alternative\nis built in the variant storage. Unblocks WITH_GPRD builds against the\nstabilized gpr_optim pin.",
"is_bot": false,
"headline": "fix(client): construct AtomicGPDimer in place in EigenmodeStrategy",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T11:24:17Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "bd893ba61519dae3cbd615c33b990e67cc1215f4",
"body": "with_gprd=true put gpr_optim (+ nested rgpot/HDF5) into the shared\n_deps used by every potential plugin. CuH2 then linked with -lz from\nHDF5 and failed in lean CI envs (cannot find -lz).\n\nKeep gpr_optim on eonclib/executables only, and build the subproject\nwith use_hdf5=false — AtomicGPDimer does not need gpr_optim HDF5 logs.",
"is_bot": false,
"headline": "fix(build): isolate gpr_optim deps from pot plugins",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T11:11:02Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "dc345d9a3d4800147c1a4e888d218851858129f4",
"body": "Merge develop: pin gpr_optim to 365b78bd with -Dwith_gprd=true, seed\ndimer soft modes, print XTB errorlogs, and fill v2.13–v2.16 release dates.",
"is_bot": false,
"headline": "fix(ci): land GPRD pin, XTB dimer seed, and release doc dates",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T10:58:01Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "09710229c9c947583487c66fa31288a62151b126",
"body": "gpr_optim pin 26242c8 is not on any branch after the history rewrite, so\nCI failed at git checkout with \"unable to read tree\" (continue-on-error\nleft a permanent red check). Clone develop and pin 365b78bd, build with\n-Dwith_gprd=true, and drop continue-on-error.\n\nDimerFixture used Eigen Random modes; soft-mode REQUIREs then flaked\n(exit 42 on XTB suite). Seed atom-0 +x like the LOR cases.\n\nXTB job: pixi run + --print-errorlogs so Catch failures are visible.",
"is_bot": false,
"headline": "fix(ci): restore GPRD pin, stabilize dimer tests, surface XTB errors",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T10:43:56Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "3e91ea43383b0d4f8e724e2b7846dd0196aabe4b",
"body": "Sphinx release pages still had 2026-XX-XX and \"pending cut\" after those\nversions shipped; align headings with CHANGELOG.md cut dates.",
"is_bot": false,
"headline": "docs(releases): fill placeholder dates for v2.13–v2.16 pages",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T10:43:55Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "b845a58993106f7cda2f5dc43f108efd44021ec2",
"body": "release: eOn v2.17.2 (green packaging + eon-akmc/pyeonclient)",
"is_bot": false,
"headline": "Merge pull request #373 from TheochemUI/develop",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T03:43:19Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f597cb2b7be28a7f8b233466e1a98a764a688f27",
"body": "Meson install_sources flattened nested packages into site-packages/eon,\nso `import eon.geometry` failed after install (CI `python -m eon.server`\nsmoke on Build basic eon). Enable preserve_path and install missing\nruntime modules (amsel_superbasin_gate, __main__, params_ssot).",
"is_bot": false,
"headline": "fix(build): preserve eon.geometry/mcamc install paths",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:56:19Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "40faa2bdb465f1386c101a0402a0a69e63b65268",
"body": "dependency('rgpot') was allowing the wrap fallback and configuring the\nsubproject with default options (no with_rpc_client_only), so a later\nsubproject(..., default_options: ...) reuses that instance and\nnwchempot_dep/cpmdpot_dep are missing — breaks pyeonclient sdist.\n\nUse pkg-config only (allow_fallback: false); wrap path stays explicit.",
"is_bot": false,
"headline": "fix(build): do not configure rgpot wrap via dependency() fallback",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:45:22Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "56fbf6377832b3aa01927114e54caf91e194467b",
"body": "eon/schema.py is a re-export stub after the eon-schema package split;\nAST checks must read packages/eon-schema/.../models.py or KeyError\non SaddleSearchConfig (and friends) fails python coverage.",
"is_bot": false,
"headline": "fix(tests): parse eon-schema models for config metadata drift",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:40:45Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "cbaaf7e90d61594bb141c8a2d123eafea4e13f51",
"body": null,
"is_bot": false,
"headline": "docs(changelog): note pyeonclient 0.3.4 full wheel republish",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:26:55Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "63ecb8690cbfd1ed066ab59e725fdb4cf4efb924",
"body": "Patch cut after incomplete v2.17.0/v2.17.1: green-CI packaging so\neon-akmc sdist, pyeonclient wheels, eon-schema, and the GitHub release\ntarball all publish from the same monorepo tip.",
"is_bot": false,
"headline": "chore(release): prepare v2.17.2 and pyeonclient 0.3.4",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:26:35Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "55c83bc27c5ec8da3bd0e0535d954a5318556ba4",
"body": "meson-python sdist runs a full client configure, which requires quill.\nrelease.yml only installed Eigen, so v2.17.0/v2.17.1 never published\neon-akmc. Install the same manylinux native deps path, write a quill.pc\nwhen upstream only exports CMake config, and fall back to cmake\nquill::quill in client/meson.build.",
"is_bot": false,
"headline": "fix(release): install quill for eon-akmc sdist and pyeonclient CI",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:26:32Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f7d112044cd72556e62d94db1500907c7a0a50ab",
"body": "Make the v2.17.1 tip pass the lints job so release CI is not blocked\non mechanical formatting from the rgpot 2.5 API restore.",
"is_bot": false,
"headline": "style: prek trailing whitespace, EOF, and clang-format",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:26:31Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f99729e7438a2f6788c41b8827eb98d6ea0580f6",
"body": "Patch release for packaging: meson options and rgpot 2.5 API.",
"is_bot": false,
"headline": "release: eOn v2.17.1",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:16:14Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f7129ca5ec335ae938457eb833666e7b1383450c",
"body": "with_pyeonclient and install_eon_server were dropped from meson_options.txt\nin the v2.17.0 merge, so meson setup failed. RGPotEngine now accepts the\nrgpot >= 2.5 (energy, forces, variance) tuple from operator().",
"is_bot": false,
"headline": "fix(build): restore pyeonclient meson options and rgpot 2.5 API",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:16:13Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "841dad12318b49c25104e3773e5da6f3a55bfe5d",
"body": "release: eOn v2.17.0",
"is_bot": false,
"headline": "release: eOn v2.17.0",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:00:52Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "768958be8566c6cafbb3a0fd11452566726abcd9",
"body": "Resolve add/add on eon-schema and pyeonclient wheel surfaces: keep develop\nfeature packaging models, land eon-schema 0.2.2 / OIDC publish from main.",
"is_bot": false,
"headline": "merge(upstream): main into develop for v2.17.0 release PR",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T02:00:22Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "23289db0b6e7cacebf3b6835b8c085b633bc34b7",
"body": "Integrate AMSEl superbasin, hessian FD, and LOR rotation from upstream\ndevelop. Keep monorepo eon.schema re-export and readcon ConFileIO path.",
"is_bot": false,
"headline": "merge(upstream): bring develop into v2.17.0 line",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T01:58:47Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "098b2b41fe9e638cbf4861c5ddc1b603bc506fe7",
"body": "Single line: all pyeonclient/schema features plus distribution packaging\n(Eigen 5 SafeMath, nlohmann_json module prefer, rgpot pkg-config + v2.5.0\nwrap, RGPOT metatomic and xtb dlopen). develop/main only — no feature\nbranch split.",
"is_bot": false,
"headline": "chore(release): unify packaging on develop as v2.17.0",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T01:54:46Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "3733c808bda9eb83159c491c8851ec1f2c557883",
"body": "Use std::get so both the old pair API and the 2.5+ three-tuple compile.",
"is_bot": false,
"headline": "fix(rgpot): accept energy/forces/variance return from rgpot >= 2.5",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T01:54:00Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "ab0cdb8aa61faffb0db02b6df20f40ec7be09c0b",
"body": "Resolve installed rgpot via dependency('rgpot') before the Meson\nsubproject wrap (EasyBuild/system packages). Wrap revision tracks the\nv2.5.0 tag that installs headers and rgpot.pc without torch/xTB at link\ntime. Vesin lookup also tries cmake after pkg-config.",
"is_bot": false,
"headline": "build(rgpot): prefer pkg-config; pin wrap to v2.5.0",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T01:37:07Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "76757d7f248d66fb1e5488446c95a51efd2f4dab",
"body": "Water GFN2 force microbench matching rgpot compare geometry for\nhead-to-head dlopen vs eOn linked ship timing.",
"is_bot": false,
"headline": "test(xtb): add xtb_ship_bench timing harness for linked ship",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-18T01:03:07Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "854fedb52f181e5e0ae6060fb31a3004a25bb490",
"body": "manylinux/no-isolation builds install metatensor under the torch\nsite-packages tree, not py.get_install_dir(). Probe site + torch\nmajor.minor via import for find_library dirs.\n\nWheel repair failed after auditwheel staged hash-suffixed capnp into\npyeonclient.libs while the packager only checked\n.pyeonclient.mesonpy.libs. Consolidate *.libs packs first so rpath\nand the vendored-NEEDED gate agree.",
"is_bot": false,
"headline": "fix(ci): resolve pip metatensor paths; consolidate auditwheel libs",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:55:21Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "650c8ed2868fabdbc7a7335d28d66e99626d06ff",
"body": "sdist: cmake --install needs sudo on non-root GHA runners.\nmetatomic: use import-based torch path for pip_metatomic so find_library\n(c10) works under manylinux no-isolation builds.",
"is_bot": false,
"headline": "fix(ci): resolve pip torch path for metatomic wheels; sudo host deps",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:36:56Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "d4e0d9fb7b3dc7b8e927b4b646fa11723a251ca7",
"body": "GHA ubuntu runners are non-root; manylinux containers are root. Use\nsudo for /usr/local install only when needed so sdist can install\nSHARED+PIC capnproto and quill.",
"is_bot": false,
"headline": "ci(pyeonclient): sudo cmake --install host deps for sdist",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:35:42Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "3058f15aaea07fce54e9deedf89cb4424356c6d6",
"body": "tags-only push (no branches) never schedules branch CI. Combine tags\nwith feat/** branches so wheel jobs actually start; keep path filters\non pull_request only.",
"is_bot": false,
"headline": "ci(pyeonclient): fix push triggers so branch and tag builds run",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:28:23Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "361b400af93b3b1cd37514a7c0581f89c41cde88",
"body": null,
"is_bot": false,
"headline": "ci(pyeonclient): fix wheel workflow matrix/env consistency",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:27:28Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "4df66f7d4b9008cad9da2ea3f83f420dc926d46f",
"body": null,
"is_bot": false,
"headline": "ci(pyeonclient): simplify push triggers for wheel workflow",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:26:36Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "c382a61ffb15d227fc3406a5b14267fdfcdaaf9a",
"body": "cp314t failed on 2.23.3 (no freethreading tags / wrong enable). Bump to\ncibuildwheel 3.2.1 so 3.14 freethreading is default; keep 3.13t via\nenable=cpython-freethreading. Shared manylinux deps script builds\ncapnproto SHARED+PIC and quill. Metatomic uses --no-isolation so torch\nmodules are visible to meson. sdist installs the same host deps.",
"is_bot": false,
"headline": "ci(pyeonclient): restore full wheel matrix with cibuildwheel 3.2.1",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:24:58Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "43235785d7711671fc3ef56ec1cc5ac1bba8cdf7",
"body": "Static libcapnp.a without -fPIC cannot link into libptlrpc.so. Build\ncapnproto as shared with CMAKE_POSITION_INDEPENDENT_CODE, set\nLD_LIBRARY_PATH for capnp codegen, and skip the 3.14t freethreading job\nthat selects no cibuildwheel identifiers.",
"is_bot": false,
"headline": "ci(pyeonclient): shared PIC capnp and drop broken cp314t matrix",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:16:39Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "25292dbdab5826f97e1cafda280f9c61c407c7c8",
"body": "Bump lockstep pyproject-pyeonclient + module.cpp. Document path_frames /\nretain_frames / climb_frames; fragment for monorepo changelog.",
"is_bot": false,
"headline": "chore(pyeonclient): release 0.3.3 path_frames and min/saddle movies",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T20:00:12Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f932b29f28034af1cf6903f4ba95da5379fa52e9",
"body": "User-defined copy suppressed implicit move, so make_tuple(std::move(out))\ncopy-constructed an empty movie trajectory. Add move ctor/assign that\ntransfer ConFrames; clear frames on copy-assign. Cover default\nrelax(inplace=False, retain_frames=True).",
"is_bot": false,
"headline": "fix(pyeonclient): move Matter.movie_frames_ on non-inplace relax return",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T19:47:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "96e1cb39c956205898aac7434c8fd983ce34d34f",
"body": "Exercise acceptance path (compute → path_frames) with a short LJ band and\nalign roundtrip stamps including parallel_force.",
"is_bot": false,
"headline": "test(pyeonclient): path_frames after NEB compute, not only update_forces",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T19:37:17Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "9d74f784edcf5d838a6448e735456f65ca8872ba",
"body": "Factor buildNebPathFrames / pathToConFrames from writePathCon so NEB\npath_frames / to_conframes return stamped readcon.ConFrame lists without\nwriting neb.con. Retain minimization movie frames and saddle climb\nframes independently of write_movies, with matching metadata stamps.",
"is_bot": false,
"headline": "feat(pyeonclient): in-memory ConFrame export for NEB path and min/saddle",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T19:35:54Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "7b8a7d23e3ccbd1c3e4e2877e0da1759095e0ab3",
"body": "This reverts commit 53ba6189f810ec076d9d26993211b53041a1b008.",
"is_bot": false,
"headline": "Revert \"feat(pyeonclient): add plot_neb / plot_min library surface\"",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T18:37:53Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "66f33a064d9b43464626bd338127eef1891ab284",
"body": "This reverts commit e25d3201797704f99a1d8e0817d0de229ca9d593.",
"is_bot": false,
"headline": "Revert \"chore(pyeonclient): bump _core __version__ to 0.3.3\"",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T18:37:53Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "e25d3201797704f99a1d8e0817d0de229ca9d593",
"body": null,
"is_bot": false,
"headline": "chore(pyeonclient): bump _core __version__ to 0.3.3",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T18:30:01Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "53ba6189f810ec076d9d26993211b53041a1b008",
"body": "Expose kwargs-based NEB and minimization figures at package root\n(pyeonclient.plot) instead of cookbook argv wrappers around rgpycrumbs\nCLI. Optional extra [plot]; cookbook extra pulls plot in. Version 0.3.3.",
"is_bot": false,
"headline": "feat(pyeonclient): add plot_neb / plot_min library surface",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T18:29:49Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "8486866cf4ed4bdab42a76c87ae648baf0b9700a",
"body": "Ignore unused Parameters so make_backend(..., params=) matches\nrgpot_metatomic / metatomic factories and docs.",
"is_bot": false,
"headline": "fix(pyeonclient): accept params= on ase_metatomic backend",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T15:48:42Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "5303d56b8a592a49a8b3b7e09a828ac9ca2e2d43",
"body": "Land packages/eon-schema on the release train and bump a patch so\nTrusted Publishing can upload a new artifact (0.2.1 already on PyPI).",
"is_bot": false,
"headline": "release(eon-schema): 0.2.2 for OIDC publish smoke",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T15:04:33Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "8326bca555bfa807538458f2d22f7e372e74202a",
"body": "Wire Trusted Publishing environments pypi-eon-schema and\npypi-pyeonclient (plus existing release for eon-akmc).",
"is_bot": false,
"headline": "ci: add eon-schema and pyeonclient PyPI OIDC publish workflows",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T14:57:25Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "a0f02c4698ce51d5c38837c1143976a8694fecf3",
"body": "meson install_sources listed only the 0.3.1 pure modules, so 0.3.2\nwheels imported _core but failed on pyeonclient.api / backends.",
"is_bot": false,
"headline": "fix(pyeonclient): ship api/backends/models pure modules in wheel",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T14:22:23Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "848bf3571478aa71f1e7a6ec1a984b9043f80aea",
"body": "Remove OIDC environment/runbook pages from docs/source; leave CI workflows\nand a short generic Trusted Publishing mention only where packaging docs need it.",
"is_bot": false,
"headline": "docs: keep PyPI publish setup out of public Sphinx pages",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T13:49:17Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "3aa59d353531b1e62f8947d757629ccfebca8906",
"body": "….3.2\n\nCut monorepo CHANGELOG for 2.17.0 (towncrier), bump lockstep version surfaces,\npromote eon-schema NebSpec work to 0.2.1, bump pyeonclient to 0.3.2 with\neon-schema>=0.2.1 models pin. Add eon-schema OIDC publish workflow and\nTrusted Publishing docs for eon-akmc / pyeonclient / eon-schema.",
"is_bot": false,
"headline": "chore(release): synchronize 2.17.0 / eon-schema 0.2.1 / pyeonclient 0…",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T13:44:38Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "19f2e97e337c1c827764ad72a517662821c2e5dc",
"body": "getForcesFree runs without the GIL; matrix_to_numpy requires it. Match\nforces/forces_raw pattern to avoid segfault on free-force access.",
"is_bot": false,
"headline": "fix(pyeonclient): do not build numpy under released GIL in forces_free",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T13:26:28Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "18b67949bd2ea25a9bc632d05631df3537495fa7",
"body": "…orces\n\nChemist NEB entry exposes find_extrema; write_neb_results accepts NEB or\nband. Release GIL for forces_free and max_force. Export step helpers at\npackage root for compose without alias. Docs prefer make_backend + NebSpec.",
"is_bot": false,
"headline": "feat(pyeonclient): NEB.find_extrema, write_neb_results, GIL on free f…",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T13:16:27Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "5a42268fa24a29d5bd4c5d4b2e44bf92ed9678f1",
"body": "…position",
"is_bot": false,
"headline": "feat(pyeonclient): export pot_registry_total_force_calls for step com…",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:58:21Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "c9af903ff2f89c8745f7ac2226e202f82f4941c0",
"body": "PathInit.file + path_list, energy weighting, climbing image, hybrid MMF,\nand optimizer knobs map onto Parameters via apply_to_parameters so\nclass-first callers do not hand-assign neb_* fields.",
"is_bot": false,
"headline": "feat(eon-schema): expand NebSpec for EW/CI/OCI-MMF cookbook NEB",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:54:54Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "be4fb296edbd34d5a46eb2848998ccdaaa784250",
"body": "…rity\n\nDocument that one Parameters instance should be passed into make_backend\nso results.dat and registry see METATOMIC/RGPOT rather than a default LJ.",
"is_bot": false,
"headline": "docs(pyeonclient): share Parameters with make_backend for pot type pa…",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:50:53Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "9707d937f3781b0892a5445cf745df25e5c70db3",
"body": "Class-first cookbook and Matter paths construct potentials via the\nbackend registry rather than PotType + make_potential.",
"is_bot": false,
"headline": "docs(pyeonclient): prefer make_backend in steps module examples",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:31:01Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "f41a086bd191ea6ef9702279f4d044fb35183b99",
"body": "…ook NEB\"\n\nThis reverts commit a26e5740a1fc4651d2c5c8234fb2269f0968b5fe.",
"is_bot": false,
"headline": "Revert \"feat(pyeonclient): configure_neb_ew_mmf for class-first cookb…",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:29:55Z",
"body_truncated": false,
"is_coding_agent": false
},
{
"oid": "a26e5740a1fc4651d2c5c8234fb2269f0968b5fe",
"body": "Shared helper matches eon-pet-neb energy-weighted CI + OCI-MMF settings so\ncallers use make_backend + Parameters instead of hand-written config.ini.",
"is_bot": false,
"headline": "feat(pyeonclient): configure_neb_ew_mmf for class-first cookbook NEB",
"author_name": "Rohit Goswami",
"author_login": "HaoZeke",
"committed_at": "2026-07-17T12:28:38Z",
"body_truncated": false,
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},
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],
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{
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}
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{
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"details": [
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{
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{
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"points": 0,
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"details": [],
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},
{
"key": "issue_template",
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"points": 0,
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"details": [],
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{
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"max_points": 6.3
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}
],
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{
"key": "governance",
"band": "moderate",
"name": "Sustainability & Governance",
"value": 51,
"weight": 0.24,
"metrics": [
{
"key": "maintainer_resilience",
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"note": null,
"notes": [],
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"components": [
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"points": 25.2,
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"count": 2
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}
],
"max_points": 54
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{
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"points": 11.7,
"status": "partial",
"details": [
{
"code": "top_contributor_share",
"params": {
"share": 48
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}
],
"max_points": 22.5
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{
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"details": [
{
"code": "contributors_sampled",
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}
],
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{
"key": "openssf_scorecard_contributors",
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"detail": "project has 37 contributing companies or organizations",
"points": 10,
"status": "met",
"details": [],
"max_points": 10
}
]
},
{
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"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
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]
}
},
{
"code": "weights_renormalized",
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}
],
"value": 24,
"inputs": {
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"open_issues": 0,
"closed_issues": 0,
"issue_closed_ratio": null,
"closed_unmerged_prs": 2
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"components": [
{
"key": "issue_resolution",
"name": "Issue resolution",
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"points": 0,
"status": "excluded",
"details": [
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"code": "no_issues_or_data",
"params": {}
}
],
"max_points": 46.75
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{
"key": "pr_acceptance",
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"detail": "1/3 decided PRs merged",
"points": 12.8,
"status": "partial",
"details": [
{
"code": "decided_prs_merged",
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"decided": 3
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}
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{
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"points": 0,
"status": "missed",
"details": [],
"max_points": 15
}
]
},
{
"key": "stewardship",
"band": "moderate",
"name": "Ownership & stewardship",
"note": "Excluded from scoring (no data or not applicable): Verified domain. Remaining weights renormalized.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
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}
},
{
"code": "weights_renormalized",
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}
],
"value": 66,
"inputs": {
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"is_verified": null,
"owner_login": "HaoZeke",
"public_repos": 424,
"account_age_days": 4833
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"components": [
{
"key": "ownership_backing",
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"detail": "personal (user) account",
"points": 10,
"status": "partial",
"details": [
{
"code": "owner_personal",
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}
],
"max_points": 30
},
{
"key": "verified_domain",
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"detail": "not applicable to user accounts",
"points": 0,
"status": "excluded",
"details": [
{
"code": "not_applicable_to_user_accounts",
"params": {}
}
],
"max_points": 20
},
{
"key": "owner_reach",
"name": "Owner reach",
"detail": "290 followers of HaoZeke",
"points": 17.7,
"status": "partial",
"details": [
{
"code": "owner_followers",
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"count": 290,
"login": "HaoZeke"
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}
],
"max_points": 25
},
{
"key": "track_record",
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"points": 25,
"status": "met",
"details": [
{
"code": "public_repos",
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"count": 424
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},
{
"code": "account_age_years",
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}
],
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]
}
],
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},
{
"key": "engineering",
"band": "good",
"name": "Engineering Quality",
"value": 75,
"weight": 0.2,
"metrics": [
{
"key": "engineering_practices",
"band": "excellent",
"name": "Engineering practices",
"note": "Excluded from scoring (no data or not applicable): OpenSSF Scorecard: CI-Tests. Remaining weights renormalized.",
"notes": [
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"code": "excluded_no_data",
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},
{
"code": "weights_renormalized",
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],
"value": 92,
"inputs": {
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"has_tests": true,
"has_editorconfig": false,
"has_linter_config": true,
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{
"code": "ci_workflows",
"params": {
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}
}
],
"max_points": 24
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{
"key": "tests_present",
"name": "Tests present",
"detail": null,
"points": 24,
"status": "met",
"details": [],
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},
{
"key": "linter_config",
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],
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{
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{
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{
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],
"max_points": 20
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]
},
{
"key": "documentation",
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"note": null,
"notes": [],
"value": 50,
"inputs": {
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{
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{
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{
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"key": "wiki",
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"detail": null,
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]
}
],
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{
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"name": "Security",
"value": 54,
"weight": 0.16,
"metrics": [
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"key": "security_posture",
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{
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{
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"code": "no_data",
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],
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{
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},
{
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{
"key": "contributors",
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"points": 2.5,
"status": "met",
"details": [],
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},
{
"key": "dangerous_workflow",
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"points": 10,
"status": "met",
"details": [],
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},
{
"key": "dependency_update_tool",
"name": "Dependency-Update-Tool",
"detail": "no update tool detected",
"points": 0,
"status": "missed",
"details": [],
"max_points": 7.5
},
{
"key": "fuzzing",
"name": "Fuzzing",
"detail": "project is not fuzzed",
"points": 0,
"status": "missed",
"details": [],
"max_points": 5
},
{
"key": "license",
"name": "License",
"detail": "license file detected",
"points": 2.5,
"status": "met",
"details": [],
"max_points": 2.5
},
{
"key": "maintained",
"name": "Maintained",
"detail": "30 commit(s) and 0 issue activity found in the last 90 days -- score normalized to 10",
"points": 7.5,
"status": "met",
"details": [],
"max_points": 7.5
},
{
"key": "packaging",
"name": "Packaging",
"detail": "packaging workflow detected",
"points": 5,
"status": "met",
"details": [],
"max_points": 5
},
{
"key": "pinned_dependencies",
"name": "Pinned-Dependencies",
"detail": "dependency not pinned by hash detected -- score normalized to 0",
"points": 0,
"status": "missed",
"details": [],
"max_points": 5
},
{
"key": "sast",
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"detail": "no SAST tool detected",
"points": 0,
"status": "missed",
"details": [],
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},
{
"key": "security_policy",
"name": "Security-Policy",
"detail": "security policy file detected",
"points": 5,
"status": "met",
"details": [],
"max_points": 5
},
{
"key": "signed_releases",
"name": "Signed-Releases",
"detail": "Project has not signed or included provenance with any releases.",
"points": 0,
"status": "missed",
"details": [],
"max_points": 7.5
},
{
"key": "token_permissions",
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"detail": "detected GitHub workflow tokens with excessive permissions",
"points": 0,
"status": "missed",
"details": [],
"max_points": 7.5
},
{
"key": "vulnerabilities",
"name": "Vulnerabilities",
"detail": "15 existing vulnerabilities detected",
"points": 0,
"status": "missed",
"details": [],
"max_points": 7.5
}
]
},
{
"key": "dependency_advisories",
"band": "excellent",
"name": "Dependency advisories",
"note": "Excluded from scoring (no data or not applicable): No advisories left outstanding. Remaining weights renormalized. Matched the pypi:eon-akmc@3.0.0 runtime dependency closure — what installing the published package pulls in — 10 packages. Reachability is not analyzed.",
"notes": [
{
"code": "excluded_no_data",
"params": {
"components": [
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}
},
{
"code": "weights_renormalized",
"params": {}
},
{
"code": "advisories_scope_published",
"params": {
"package": "pypi:eon-akmc@3.0.0",
"assessed": 10
}
},
{
"code": "advisories_reachability",
"params": {}
}
],
"value": 100,
"inputs": {
"source": "osv",
"advisories": 0,
"affected_packages": 0,
"assessed_packages": 10,
"unassessed_packages": 0,
"affected_by_severity": "none",
"direct_affected_packages": 0
},
"components": [
{
"key": "direct_dependencies_free_of_known_advisories",
"name": "Direct dependencies free of known advisories",
"detail": "no direct dependency carries a known advisory",
"points": 35,
"status": "met",
"details": [
{
"code": "no_direct_advisories",
"params": {}
}
],
"max_points": 35
},
{
"key": "indirect_dependencies_free_of_known_advisories",
"name": "Indirect dependencies free of known advisories",
"detail": "no indirect dependency carries a known advisory",
"points": 25,
"status": "met",
"details": [
{
"code": "no_indirect_advisories",
"params": {}
}
],
"max_points": 25
},
{
"key": "no_advisories_left_outstanding",
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"points": 0,
"status": "excluded",
"details": [
{
"code": "advisories_no_publication_date",
"params": {}
}
],
"max_points": 40
}
]
},
{
"key": "malicious_dependencies",
"band": "excellent",
"name": "Malicious dependencies",
"note": null,
"notes": [],
"value": 100,
"inputs": {
"source": "osv",
"meaning": "reported as a malicious package by the OpenSSF corpus; the remedy is removal or moving off the compromised name, never an upgrade of the same artifact. Versions the registry has since pulled are listed but not scored",
"packages": [],
"red_flag": false,
"assessed_packages": 10,
"malicious_packages": 0,
"direct_malicious_packages": 0,
"withdrawn_malicious_packages": 0,
"installable_malicious_packages": 0
},
"components": [
{
"key": "no_dependency_reported_as_a_malicious_package",
"name": "No dependency reported as a malicious package",
"detail": "no dependency is reported as a malicious package",
"points": 100,
"status": "met",
"details": [
{
"code": "no_malicious_dependencies",
"params": {}
}
],
"max_points": 100
}
]
},
{
"key": "high_risk_jurisdiction_exposure",
"band": "excellent",
"name": "High-Risk Jurisdiction Exposure",
"note": "Only high-confidence self-published location evidence affects this multiplier. Ambiguous matches are review-only; country evidence is not proof of nationality, citizenship, legal registration, malicious intent, or sanctions status.",
"notes": [
{
"code": "jurisdiction_evidence_limits",
"params": {}
}
],
"value": 100,
"inputs": {
"meaning": "self-published location evidence; not nationality or citizenship",
"red_flag": false,
"exposures": [],
"policy_countries": [
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"Iran",
"North Korea"
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"review_only_matches": 0,
"assessed_self_published_locations": 12
},
"components": [
{
"key": "policy_exposure_multiplier",
"name": "Policy exposure multiplier",
"detail": "no confirmed policy-scope location match",
"points": 100,
"status": "met",
"details": [
{
"code": "jurisdiction_no_match",
"params": {}
}
],
"max_points": 100
}
]
}
],
"description": "Are visible security and supply-chain practices strong, with no malicious dependency and no unresolved high-risk jurisdiction exposure?"
},
{
"key": "ai_readiness",
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}
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},
"warnings": [
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"pypi package 'eon-akmc' points at a different repository (https://github.com/TheochemUI/eOn); excluded from ecosystem scoring",
"pypi package 'eon-schema' points at a different repository (https://github.com/TheochemUI/eOn); excluded from ecosystem scoring",
"GitHub dependency-graph SBOM unavailable (404); the dependency graph may be disabled for this repository"
],
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"generated_at": "2026-07-28T23:42:01.609331Z",
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"license_spdx": "BSD-3-Clause"
}Scores are signals, not warranties. They reflect publicly visible practices on GitHub — not a code audit, and not a security guarantee.
Missing data is excluded and weights renormalized, never scored as zero. Methodology is versioned and open: metrics v1.13.0, schema v0.27.0 — full methodology · metrics wiki.
How one result sits in the wider record: aggregate statistics — PyPI.