HaoZeke / eOn

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Instalar pypi:eon-akmc@3.0.0 arrastra 10 paquetes, directos y transitivos: 0 tienen avisos conocidos, de los cuales 0 son dependencias directas.

Ningún aviso conocido afecta a las dependencias evaluadas.

Un aviso significa que la versión registrada en el grafo de dependencias cae dentro del rango afectado de un aviso. No se analiza la alcanzabilidad, y el grafo incluye fijaciones de desarrollo y prueba: un hallazgo puede referirse al utillaje y no al software distribuido.

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          "headline": "fix(tests): Catch2 SKIP only from TEST_CASE bodies",
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          "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
        },
        {
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          "headline": "Revert \"chore(pyeonclient): bump _core __version__ to 0.3.3\"",
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          "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",
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          "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",
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          "headline": "docs: keep PyPI publish setup out of public Sphinx pages",
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          "headline": "feat(pyeonclient): NEB.find_extrema, write_neb_results, GIL on free f…",
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          "is_bot": false,
          "headline": "feat(pyeonclient): configure_neb_ew_mmf for class-first cookbook NEB",
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          "headline": "fix(pyeonclient): release GIL for metatomic force paths; optional CUD…",
          "author_name": "Rohit Goswami",
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          "headline": "fix(pyeonclient): auto-discover RGPOT metatomic engine in make_backend",
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              {
                "key": "pr_acceptance",
                "name": "PR acceptance",
                "detail": "1/3 decided PRs merged",
                "points": 12.8,
                "status": "partial",
                "details": [
                  {
                    "code": "decided_prs_merged",
                    "params": {
                      "merged": 1,
                      "decided": 3
                    }
                  }
                ],
                "max_points": 38.25
              },
              {
                "key": "openssf_scorecard_code_review",
                "name": "OpenSSF Scorecard: Code-Review",
                "detail": "Found 0/30 approved changesets -- score normalized to 0",
                "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": [
                    "verified_domain"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              }
            ],
            "value": 66,
            "inputs": {
              "followers": 290,
              "owner_type": "User",
              "is_verified": null,
              "owner_login": "HaoZeke",
              "public_repos": 424,
              "account_age_days": 4833
            },
            "components": [
              {
                "key": "ownership_backing",
                "name": "Ownership backing",
                "detail": "personal (user) account",
                "points": 10,
                "status": "partial",
                "details": [
                  {
                    "code": "owner_personal",
                    "params": {}
                  }
                ],
                "max_points": 30
              },
              {
                "key": "verified_domain",
                "name": "Verified domain",
                "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",
                    "params": {
                      "count": 290,
                      "login": "HaoZeke"
                    }
                  }
                ],
                "max_points": 25
              },
              {
                "key": "track_record",
                "name": "Track record",
                "detail": "424 public repos, account ~13 yr old",
                "points": 25,
                "status": "met",
                "details": [
                  {
                    "code": "public_repos",
                    "params": {
                      "count": 424
                    }
                  },
                  {
                    "code": "account_age_years",
                    "params": {
                      "years": 13
                    }
                  }
                ],
                "max_points": 25
              }
            ]
          }
        ],
        "description": "Will the project survive its people — bus factor, responsiveness, who backs it, and package upkeep?"
      },
      {
        "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": [
              {
                "code": "excluded_no_data",
                "params": {
                  "components": [
                    "openssf_scorecard_ci_tests"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              }
            ],
            "value": 92,
            "inputs": {
              "has_ci": true,
              "has_tests": true,
              "has_editorconfig": false,
              "has_linter_config": true,
              "has_precommit_config": true
            },
            "components": [
              {
                "key": "ci_workflows",
                "name": "CI workflows",
                "detail": "19 workflow(s)",
                "points": 24,
                "status": "met",
                "details": [
                  {
                    "code": "ci_workflows",
                    "params": {
                      "count": 19
                    }
                  }
                ],
                "max_points": 24
              },
              {
                "key": "tests_present",
                "name": "Tests present",
                "detail": null,
                "points": 24,
                "status": "met",
                "details": [],
                "max_points": 24
              },
              {
                "key": "linter_config",
                "name": "Linter config",
                "detail": "ruff.toml",
                "points": 16,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "files": "ruff.toml"
                    }
                  }
                ],
                "max_points": 16
              },
              {
                "key": "pre_commit_hooks",
                "name": "Pre-commit hooks",
                "detail": null,
                "points": 9.6,
                "status": "met",
                "details": [],
                "max_points": 9.6
              },
              {
                "key": "editorconfig",
                "name": ".editorconfig",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 6.4
              },
              {
                "key": "openssf_scorecard_ci_tests",
                "name": "OpenSSF Scorecard: CI-Tests",
                "detail": "no pull request found",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 20
              }
            ]
          },
          {
            "key": "documentation",
            "band": "moderate",
            "name": "Documentation",
            "note": null,
            "notes": [],
            "value": 50,
            "inputs": {
              "topics": [],
              "has_wiki": true,
              "homepage": "https://theochemui.github.io/eOn/",
              "has_readme": false,
              "has_docs_dir": true,
              "has_description": false
            },
            "components": [
              {
                "key": "readme",
                "name": "README",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 30
              },
              {
                "key": "documentation_directory",
                "name": "Documentation directory",
                "detail": null,
                "points": 25,
                "status": "met",
                "details": [],
                "max_points": 25
              },
              {
                "key": "documentation_homepage_site",
                "name": "Documentation / homepage site",
                "detail": "https://theochemui.github.io/eOn/",
                "points": 15,
                "status": "met",
                "details": [],
                "max_points": 15
              },
              {
                "key": "repository_description",
                "name": "Repository description",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 10
              },
              {
                "key": "topics",
                "name": "Topics",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 10
              },
              {
                "key": "wiki",
                "name": "Wiki",
                "detail": null,
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              }
            ]
          }
        ],
        "description": "Are baseline engineering and documentation practices in place?"
      },
      {
        "key": "security",
        "band": "moderate",
        "name": "Security",
        "value": 54,
        "weight": 0.16,
        "metrics": [
          {
            "key": "security_posture",
            "band": "at_risk",
            "name": "Security posture",
            "note": "Excluded from scoring (no data or not applicable): Branch-Protection, CI-Tests. Remaining weights renormalized.",
            "notes": [
              {
                "code": "excluded_no_data",
                "params": {
                  "components": [
                    "branch_protection",
                    "ci_tests"
                  ]
                }
              },
              {
                "code": "weights_renormalized",
                "params": {}
              }
            ],
            "value": 42,
            "inputs": {
              "source": "openssf_scorecard",
              "checks_evaluated": 16,
              "scorecard_version": "v5.5.0",
              "checks_inconclusive": 2,
              "scorecard_aggregate": 4.2
            },
            "components": [
              {
                "key": "binary_artifacts",
                "name": "Binary-Artifacts",
                "detail": "no binaries found in the repo",
                "points": 7.5,
                "status": "met",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "branch_protection",
                "name": "Branch-Protection",
                "detail": "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",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 7.5
              },
              {
                "key": "ci_tests",
                "name": "CI-Tests",
                "detail": "no pull request found",
                "points": 0,
                "status": "excluded",
                "details": [
                  {
                    "code": "no_data",
                    "params": {}
                  }
                ],
                "max_points": 2.5
              },
              {
                "key": "cii_best_practices",
                "name": "CII-Best-Practices",
                "detail": "no effort to earn an OpenSSF best practices badge detected",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "code_review",
                "name": "Code-Review",
                "detail": "Found 0/30 approved changesets -- score normalized to 0",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 7.5
              },
              {
                "key": "contributors",
                "name": "Contributors",
                "detail": "project has 37 contributing companies or organizations",
                "points": 2.5,
                "status": "met",
                "details": [],
                "max_points": 2.5
              },
              {
                "key": "dangerous_workflow",
                "name": "Dangerous-Workflow",
                "detail": "no dangerous workflow patterns detected",
                "points": 10,
                "status": "met",
                "details": [],
                "max_points": 10
              },
              {
                "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",
                "name": "SAST",
                "detail": "no SAST tool detected",
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 5
              },
              {
                "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",
                "name": "Token-Permissions",
                "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": [
                    "no_advisories_left_outstanding"
                  ]
                }
              },
              {
                "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",
                "name": "No advisories left outstanding",
                "detail": "no advisory carries a publication date",
                "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": [
                "Russia",
                "Iran",
                "North Korea"
              ],
              "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",
        "band": "moderate",
        "name": "AI Readiness",
        "value": 62,
        "weight": 0,
        "metrics": [
          {
            "key": "ai_agent_context",
            "band": "at_risk",
            "name": "Agent context & guidance",
            "note": null,
            "notes": [],
            "value": 40,
            "inputs": {
              "has_llms_txt": false,
              "legible_history_share": 0.97,
              "agent_instruction_files": [],
              "agent_instruction_max_bytes": null
            },
            "components": [
              {
                "key": "agent_instructions",
                "name": "Agent instructions",
                "detail": "no CLAUDE.md / AGENTS.md / editor rules",
                "points": 0,
                "status": "missed",
                "details": [
                  {
                    "code": "no_agent_instructions",
                    "params": {}
                  }
                ],
                "max_points": 45
              },
              {
                "key": "machine_readable_docs_llms_txt",
                "name": "Machine-readable docs (llms.txt)",
                "detail": null,
                "points": 0,
                "status": "missed",
                "details": [],
                "max_points": 15
              },
              {
                "key": "legible_commit_history",
                "name": "Legible commit history",
                "detail": "97 of 100 human commits state their intent (structured subject or explanatory body)",
                "points": 40,
                "status": "met",
                "details": [
                  {
                    "code": "legible_history",
                    "params": {
                      "legible": 97,
                      "sampled": 100
                    }
                  }
                ],
                "max_points": 40
              }
            ]
          },
          {
            "key": "ai_verify_loop",
            "band": "good",
            "name": "Verify loop (build / test / typecheck)",
            "note": null,
            "notes": [],
            "value": 72,
            "inputs": {
              "has_nix": true,
              "has_tests": true,
              "lockfiles": [
                "Gemfile.lock",
                "uv.lock"
              ],
              "has_dockerfile": false,
              "typed_language": true,
              "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": false,
              "has_linter_config": true,
              "typecheck_configs": [],
              "agent_commit_share": 0,
              "toolchain_manifests": [],
              "dependency_bot_commit_share": 0
            },
            "components": [
              {
                "key": "one_command_bootstrap",
                "name": "One-command bootstrap",
                "detail": "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",
                "points": 18,
                "status": "met",
                "details": [
                  {
                    "code": "file_list",
                    "params": {
                      "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"
                    }
                  }
                ],
                "max_points": 18
              },
              {
                "key": "automated_tests",
                "name": "Automated tests",
                "detail": null,
                "points": 22,
                "status": "met",
                "details": [],
                "max_points": 22
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