Rc 3170

[prckent]

Proposed changes

Proposed v3.17.0 release.

Please check CHANGELOG.md for notes on release and CMakeLists.txt.

I will post a full list of PRs for review

What type(s) of changes does this code introduce?

• Bugfix
• New feature
• Code style update (formatting, renaming)
• Refactoring (no functional changes, no api changes)
• Build related changes
• Testing changes (e.g. new unit/integration/performance tests)
• Documentation changes

Does this introduce a breaking change?

• Yes

What systems has this change been tested on?

No significant changes since last weekend runs.

Checklist

• Yes. This PR is up to date with current the current state of 'develop'
• Mostly. Code added or changed in the PR has been clang-formatted
• Yes. This PR adds tests to cover any new code, or to catch a bug that is being fixed
• Yes. Documentation has been added (if appropriate)

[prckent]

Test this please

[prckent]

Test this please

[prckent]

Confirming reports at 3.17.0:

112:   Input file(s): qmc_short.in.xml 
112: 
112: =====================================================
112:                     QMCPACK 3.17.0
112: 
112:        (c) Copyright 2003-  QMCPACK developers
112: 
112:                     Please cite:
112:  J. Kim et al. J. Phys. Cond. Mat. 30 195901 (2018)
112:       https://doi.org/10.1088/1361-648X/aab9c3
112: 
112:   Git branch: rc_3170
112:   Last git commit: af3ac23570f80d6ce4491864c0eeb1717ee3e8f4
112:   Last git commit date: Fri Aug 18 15:12:53 2023 -0400
112:   Last git commit subject: Add link
112: =====================================================
112:   Global options 
112: 
112:   Total number of MPI ranks = 1
112:   Number of MPI groups      = 1
112:   MPI group ID              = 0
112:   Number of ranks in group  = 1
112:   MPI ranks per node        = 1
112:   OMP 1st level threads     = 16

[prckent]

Test failures on the rc are the usual canonical suspects (ctest -E long output):

The following tests FAILED:
         94 - estimator-acforce-legacy-1-16-check (Failed)
         96 - estimator-acforce-fast-1-16-check (Failed)
        325 - rmg-Diamond2-1x1x1-gamma-ccECP-np-1-1-16-kinetic (Failed)
        430 - short-C4_md-ae-ground-qp-vmc-1-16-variance (Failed)
        440 - short-LiH_ae-vmc_hf_noj_estimator_energydensity_voronoi-4-4-check (Failed)
        534 - short-LiH_pp-vmc_hf_sdj_estimator_spindensity-4-4 (Failed)
        535 - short-LiH_pp-vmc_hf_sdj_estimator_spindensity-4-4-check (Failed)
        537 - short-LiH_pp-vmc_hf_sdj_estimator_energydensity_voronoi-4-4-check (Failed)
        553 - short-H4-RHF-orb-opt-16-1-totenergy (Failed)
        557 - short-H4-orb-opt-1-16-totenergy (Failed)
        558 - short-H4-orb-opt-dmc-16-1 (Failed)
        559 - short-H4-orb-opt-dmc-16-1-totenergy (Failed)
        569 - short-H4-target-descent-16-1-totenergy (Failed)
        571 - short-H4-target-descent-1-16-totenergy (Failed)
        577 - short-H4-batched-hybrid-16-1-totenergy (Failed)
        579 - short-H4-batched-hybrid-1-16-totenergy (Failed)
        596 - short-H4-msd-orb-opt-16-1-totenergy (Failed)
        951 - short-bccH_1x1x1_ae-csvmc-all-nodrift_sdj-16-1-dtotenergy_AB (Failed)
        967 - short-bccH_1x1x1_ae-csvmc-all_sdj-16-1-deeenergy_AB (Failed)
        1092 - short-diamondC_1x1x1_pp-vmcbatch-estimator-onebodydensitymatrices-4-4-check (Failed)
        1098 - short-diamondC_1x1x1_pp-vmc-noJ-estimator-1rdm-4-4-check (Failed)
        1100 - short-diamondC_1x1x1_pp-vmc-J2-estimator-1rdm-4-4-check (Failed)
        1102 - short-diamondC_1x1x1_pp-vmc-estimator-energydensity-cell-4-4-check (Failed)
        1104 - short-diamondC_1x1x1_pp-vmc-estimator-energydensity-voronoi-4-4-check (Failed)
        1106 - short-diamondC_1x1x1_pp-dmc-estimator-energydensity-cell-4-4-check (Failed)
Errors while running CTest