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QUICK-25.03 Release Checklist

Status: Closed (completed).

#395 In merzlab/QUICK;

· by ohearnk was closed on Jul 3, 2025

HIP and MPI+HIP builds broken since adding f-function support (PR #312)

bugSomething isn't workingSomething isn't working

Status: Closed (completed).

#344 In merzlab/QUICK;

· by ohearnk was closed on Mar 6, 2025

CI tests fail when compiled with OneAPI compilers

bugSomething isn't workingSomething isn't working

Status: Closed (completed).

#327 In merzlab/QUICK;

· by Madu86 was closed on Mar 6, 2025

SAD guess files for first row transition metals missing for some basis sets

enhancementNew feature or requestNew feature or request

Status: Closed (completed).

#385 In merzlab/QUICK;

· by agoetz was closed on Mar 19, 2025

GNU compiler flags broken for MacOS 15 with Apple silicon

bugSomething isn't workingSomething isn't working

Status: Closed (completed).

#391 In merzlab/QUICK;

· by agoetz was closed on Apr 4, 2025

Update SAD guess files added after release of QUICK-21.03

bugSomething isn't workingSomething isn't working

Status: Closed (completed).

#399 In merzlab/QUICK;

· by agoetz was closed on Mar 13, 2025

macOS GNU compiler flags still broken

bugSomething isn't workingSomething isn't working

Status: Closed (completed).

#418 In merzlab/QUICK;

· by agoetz was closed on May 1, 2025

GPU LRI Build Fix with f Function Support

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 426

#426 In merzlab/QUICK;

· by ohearnk was closed on Jun 27, 2025

Fixes from AmberTools 2025 Integration

Bug fix

Code cleanupCode cleanup or refactoringCode cleanup or refactoring

enhancementNew feature or requestNew feature or request

Status: Merged (completed).

merzlab/QUICKnumber 413

#413 In merzlab/QUICK;

· by ohearnk was closed on Apr 4, 2025

Fixes from AmberTools 2025 Integration Part 2

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 415

#415 In merzlab/QUICK;

· by ohearnk was closed on Apr 5, 2025

Fixes from AmberTools 2025 Integration Part 3

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 417

#417 In merzlab/QUICK;

· by ohearnk was closed on Apr 10, 2025

GitHub CI Workflow Enhancements Part 4

enhancementNew feature or requestNew feature or request

Status: Merged (completed).

merzlab/QUICKnumber 394

#394 In merzlab/QUICK;

· by ohearnk was closed on Feb 20, 2025

Oeprop new 2025

Status: Merged (completed).

merzlab/QUICKnumber 420

#420 In merzlab/QUICK;

· by vtripath65 was closed on May 5, 2025

Fix Setting Compilation Flags for GitHub CI Workflow Tests

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 402

#402 In merzlab/QUICK;

· by ohearnk was closed on Feb 27, 2025

Oeproperties dev

enhancementNew feature or requestNew feature or request

Status: Merged (completed).

merzlab/QUICKnumber 397

#397 In merzlab/QUICK;

· by vtripath65 was closed on Mar 20, 2025

AWG - fix typo in output

Status: Merged (completed).

merzlab/QUICKnumber 407

#407 In merzlab/QUICK;

· by agoetz was closed on Mar 6, 2025

All types of whitespace characters used for delineation are not correctly parsed in input files

bugSomething isn't workingSomething isn't working

Status: Merged (completed).

merzlab/QUICKnumber 406

#406 In merzlab/QUICK;

· by vtripath65 was closed on Mar 5, 2025

GitHub CI Workflow Enhancements Part 6

enhancementNew feature or requestNew feature or request

Status: Merged (completed).

merzlab/QUICKnumber 409

#409 In merzlab/QUICK;

· by ohearnk was closed on Mar 13, 2025

HIP and MPI+HIP Updates Part 2

Bug fix

Code cleanupCode cleanup or refactoringCode cleanup or refactoring

Status: Merged (completed).

merzlab/QUICKnumber 411

#411 In merzlab/QUICK;

· by ohearnk was closed on Mar 19, 2025

QUICK 25.03 Build System Updates

enhancementNew feature or requestNew feature or request

Status: Merged (completed).

merzlab/QUICKnumber 412

#412 In merzlab/QUICK;

· by ohearnk was closed on Mar 18, 2025

The cuda versions checking corrected

Bug fix

Status: Closed (abandoned).

merzlab/QUICKnumber 414

#414 In merzlab/QUICK;

· by vtripath65 was closed on Mar 29, 2025

Fix Github Workflow Badges

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 428

#428 In merzlab/QUICK;

· by ohearnk was closed on Jul 3, 2025

HIP and MPI+HIP Updates Part 3

Bug fix

Status: Merged (completed).

merzlab/QUICKnumber 421

#421 In merzlab/QUICK;

· by ohearnk was closed on May 1, 2025

Documentation Update for QUICK-25.03 release (read-the-docs version tag)

Status: Merged (completed).

merzlab/QUICKnumber 429

#429 In merzlab/QUICK;

· by ohearnk was closed on Jul 3, 2025