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Releases: MolarVerse/PQSetup
Release list
PQSetup 0.2.5
Changes
- Shared PQ terminal help and startup design.
- Readiness, structure loading, perturbation, exports, errors and shutdown appear in concise logs.
- Browser opening waits for a successful server startup; occupied ports produce a clear error.
- Help, version and environment checks avoid scientific data processing imports.
- PQDesign 0.1.3 is pinned and verified during builds.
PQSetup 0.2.4
PQSetup 0.2.4 publishes the standalone PQDesign integration and a local-server startup fix.
Changes
- Consume the versioned
@molarverse/pq-design0.1.2 archive from PQDesign, with its shared controls, styles, tokens, and license notice. - Reject unusable server ports before application startup.
- Correct the nonfinite-coordinate regression input so it tests the intended validation behavior.
Validation
232 Python tests and 42 frontend tests passed. CI passed on Linux and macOS; strict docs, frontend build, and package checks passed. Desktop browser checks covered short landscape, portrait, and ultrawide layouts, NPT validation, and the complete four-file run-package download.
Tests requiring a locally installed PQ executable remain skipped; preparation and package validation were checked without claiming a simulation run.
Full changelog: v0.2.3...v0.2.4
PQSetup 0.2.3
What's Changed
Full Changelog: v0.2.2...v0.2.3
PQSetup 0.2.2
Superseded by PQSetup v0.2.3. The v0.2.2 browser interface can fail to render with React is not defined. Install v0.2.3.
What's Changed
- Simplify generated inputs and separate validation from rendering by @galjos in #29
- Restore generated input presentation by @galjos in #30
- Prepare PQSetup 0.2.2 and shared design package by @galjos in #31
Full Changelog: v0.2.1...v0.2.2
PQ design 0.1.1
Versioned flat-mono tokens, CSS and React primitives for PQSetup, PQViewer and PQEnalyzer Web.
This archive remains available for existing lockfiles. New source changes and releases are in MolarVerse/PQDesign; use v0.1.2 for new installations.
PQ design 0.1.0
Superseded by PQ design 0.1.1. The 0.1.0 React controls can fail to render with React is not defined. Update the archive URL and lockfile to 0.1.1.
Versioned flat-mono tokens, CSS and React primitives for PQSetup, PQViewer and PQEnalyzer Web.
PQSetup 0.1.0
What's Changed
- Add PQSetup documentation site by @galjos in #1
- Update PQSetup for PQ 0.7 by @galjos in #2
- fix: reject '.' and '..' as setup filenames by @galjos in #10
- fix: require rpmd_n_replica for qm-rpmd setups by @galjos in #9
- fix: reject mm-opt with MD ensembles by @galjos in #7
- fix: reject start_file equal to restart_file on simple export by @galjos in #8
- Fix PyPI publishing for Core Metadata 2.5 by @galjos in #22
Full Changelog: https://github.com/MolarVerse/PQSetup/commits/v0.1.0