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TheochemUI / eOn Public

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feat(optimizer) :: OCINEB restore, LBFGS options, and the xtsci engine - #403

#403

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HaoZeke wants to merge 40 commits into

TheochemUI:mainTheochemUI/eOn:mainfrom

HaoZeke:fix/ocineb-restore-unhelpful-mmfHaoZeke/eOn:fix/ocineb-restore-unhelpful-mmfCopy head branch name to clipboard

Conversation Commits40 (40)Checks Files changed

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feat(optimizer) :: OCINEB restore, LBFGS options, and the xtsci engine#403
HaoZeke wants to merge 40 commits into
TheochemUI:mainfrom
HaoZeke:fix/ocineb-restore-unhelpful-mmf

fix(bind): call nanobind 3 keep_alive_py

866912a

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lints on: pull_request 1

lints

Build and test eonclient with Rgpot on: pull_request 1

test (ubuntu-22.04)

eon-schema publish on: pull_request 1

build

publish

Build and test serve mode on: pull_request 1

test (ubuntu-22.04)

Build and Deploy Documentation on: pull_request 1

Build documentation

Release prepare (dry-run) on: pull_request 2

prepare

Build and test eonclient with ASE on: pull_request 1

test (ubuntu-22.04)

Coverage on: pull_request 3

python coverage

cpp coverage

fortran coverage

Build eOn with GPRD on: pull_request

build_eon

pyeonclient wheels on: pull_request 9

abi3-manylinux

cp313t-manylinux

cp314t-manylinux

abi3-manylinux-metatomic

sdist

publish

Build basic eon on: pull_request 4

test (ubuntu-22.04)

test (macos-14)

test (windows-2022)

Towncrier check on: pull_request 1

towncrier

Build and test eonclient with Metatomic on: pull_request 4

test (ubuntu-22.04)

test (macos-14)

test (windows-2022)

Build and test eonclient with XTB on: pull_request 1

test (ubuntu-22.04)

Benchmark PR on: pull_request 5

benchmark (main, 99f90f2511ef6324b479b2d5783bea5eaf2c44bb)

benchmark (pr, 866912ad39c1e7c9eb9da0beae393b218c6b6984)

combine

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1 warning

Complete job

Node.js 20 is deprecated. The following actions target Node.js 20 but are being forced to run on Node.js 24: actions/checkout@v4, astral-sh/setup-uv@v6, HaoZeke/large-file-auditor@v0.1.0. For more information see: https://github.blog/changelog/2025-09-19-deprecation-of-node-20-on-github-actions-runners/

lints

succeeded Aug 23, 2026 in 14s

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