From b5588b47a90c0ea7452c836a65d0e5dc832bf5ed Mon Sep 17 00:00:00 2001 From: cheminfo-bot <10880445+cheminfo-bot@users.noreply.github.com> Date: Wed, 3 Jun 2026 08:04:50 +0200 Subject: [PATCH] chore(main): release 2.0.0 --- CHANGELOG.md | 18 ++++++++++++++++++ package-lock.json | 4 ++-- package.json | 2 +- 3 files changed, 21 insertions(+), 3 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 8c39f23..3827a3a 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,23 @@ # Changelog +## [2.0.0](https://github.com/cheminfo/openchemlib-sqlite/compare/v1.2.0...v2.0.0) (2026-06-03) + + +### ⚠ BREAKING CHANGES + +* `MoleculesDBSQLite.search()` is now asynchronous and returns a `Promise`; callers must await it. New `MoleculesDBConfig` options `dbPath` and `poolSize` enable the worker pool, and a new `close()` method tears it down. + +### Features + +* default poolSize to 4 in SearchWorkerPoolOptions ([1f1b406](https://github.com/cheminfo/openchemlib-sqlite/commit/1f1b40650cc8bd30aeb57ab25e0a1e4281c06242)) +* report substructure scan progress via an onProgress callback ([ac5f682](https://github.com/cheminfo/openchemlib-sqlite/commit/ac5f682309611ba8cffb4ff84e66321378475e82)) +* run substructure search in a worker pool (async, multicore, progress) ([02db276](https://github.com/cheminfo/openchemlib-sqlite/commit/02db276df06a73f35b68c775d4dcb2fea6d0cd57)) + + +### Bug Fixes + +* skip 2D coordinate invention when parsing substructure candidates ([163bd44](https://github.com/cheminfo/openchemlib-sqlite/commit/163bd4416139e26a708b59edae646b72af0dc2d2)) + ## [1.2.0](https://github.com/cheminfo/openchemlib-sqlite/compare/v1.1.0...v1.2.0) (2026-05-18) diff --git a/package-lock.json b/package-lock.json index 8464817..818f085 100644 --- a/package-lock.json +++ b/package-lock.json @@ -1,12 +1,12 @@ { "name": "openchemlib-sqlite", - "version": "1.2.0", + "version": "2.0.0", "lockfileVersion": 3, "requires": true, "packages": { "": { "name": "openchemlib-sqlite", - "version": "1.2.0", + "version": "2.0.0", "license": "MIT", "devDependencies": { "@types/node": "^25.7.0", diff --git a/package.json b/package.json index c0ffb5b..31abaf9 100644 --- a/package.json +++ b/package.json @@ -1,6 +1,6 @@ { "name": "openchemlib-sqlite", - "version": "1.2.0", + "version": "2.0.0", "description": "SQLite-backed molecular database with substructure, exact, and similarity search using OpenChemLib", "type": "module", "exports": {