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Release Pipeline Hardening#374

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v-georgen wants to merge 10 commits intomainfrom
feature/gmn/release-hardening
Open

Release Pipeline Hardening#374
v-georgen wants to merge 10 commits intomainfrom
feature/gmn/release-hardening

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@v-georgen
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@v-georgen v-georgen commented Feb 19, 2026

This PR introduces a small set of quality of life changes to the release pipeline.

Changelog:

  • arch -arm64 prefix has been added to all Homebrew commands to prevent stochastic macOS errors w.r.t. the Homebrew prefix.
  • Scheduled nightlies will now run at 11PM PST instead of UTC.

Copilot AI review requested due to automatic review settings February 19, 2026 20:44
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Pull request overview

This PR hardens the release pipeline configuration for Python wheel builds by adjusting the nightly schedule, changing defaults for test building, and updating macOS Homebrew invocation to be more deterministic on Apple Silicon.

Changes:

  • Shift the nightly wheel build schedule to target late-evening Pacific time (via UTC cron change).
  • Default BUILD_TESTING to ON in the wheel-build template and build script.
  • Prefix Homebrew update/upgrade with arch -arm64 in the macOS wheel build script and introduce a CMake define intended to enable “long tests”.

Reviewed changes

Copilot reviewed 3 out of 3 changed files in this pull request and generated 3 comments.

File Description
.pipelines/templates/build-pip-wheels.yml Changes default buildTesting parameter to ON.
.pipelines/python-wheels.yaml Updates the scheduled nightly cron time and annotates intended local time.
.pipelines/pip-scripts/build-pip-wheels.sh Adjusts macOS Homebrew commands to run under arm64 and passes QDK_RUN_LONG_TESTS=ON to the CMake build.

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github-actions bot commented Feb 19, 2026

📊 Coverage Summary

Component Coverage
C++ Library 79%
Python Package 83%
Pybind11 Bindings 89%

Detailed Coverage Reports

C++ Coverage Details
------------------------------------------------------------------------------
                           GCC Code Coverage Report
Directory: cpp
------------------------------------------------------------------------------
File                                       Lines    Exec  Cover   Missing
------------------------------------------------------------------------------
include/qdk/chemistry/algorithms/active_space.hpp
                                               5       5   100%
include/qdk/chemistry/algorithms/algorithm.hpp
                                              60      55    91%   187,209,211-212,270
include/qdk/chemistry/algorithms/dynamical_correlation_calculator.hpp
                                               7       6    85%   98
include/qdk/chemistry/algorithms/hamiltonian.hpp
                                               5       5   100%
include/qdk/chemistry/algorithms/localization.hpp
                                               5       5   100%
include/qdk/chemistry/algorithms/mc.hpp       15      15   100%
include/qdk/chemistry/algorithms/mcscf.hpp
                                               6       6   100%
include/qdk/chemistry/algorithms/pmc.hpp       9       8    88%   186
include/qdk/chemistry/algorithms/scf.hpp      13      12    92%   23
include/qdk/chemistry/algorithms/stability.hpp
                                               5       4    80%   131
include/qdk/chemistry/data/ansatz.hpp          3       3   100%
include/qdk/chemistry/data/basis_set.hpp      35      30    85%   108-109,112,114,319
include/qdk/chemistry/data/configuration.hpp
                                              32      30    93%   71,119
include/qdk/chemistry/data/configuration_set.hpp
                                               3       2    66%   35
include/qdk/chemistry/data/data_class.hpp
                                               4       4   100%
include/qdk/chemistry/data/element_data.hpp
                                              18      18   100%
include/qdk/chemistry/data/hamiltonian.hpp
                                              12      12   100%
include/qdk/chemistry/data/hamiltonian_containers/canonical_four_center.hpp
                                               1       1   100%
include/qdk/chemistry/data/hamiltonian_containers/cholesky.hpp
                                               1       1   100%
include/qdk/chemistry/data/orbitals.hpp        6       6   100%
include/qdk/chemistry/data/pauli_operator.hpp
                                              88      83    94%   1203,1227,1262,1274,1288
include/qdk/chemistry/data/settings.hpp       90      68    75%   180-181,311,353,488,857,864,866,881-882,886-888,892-893,895-897,899-900,989,993
include/qdk/chemistry/data/stability_result.hpp
                                              38      38   100%
include/qdk/chemistry/data/structure.hpp       8       8   100%
include/qdk/chemistry/data/wavefunction.hpp
                                              23      17    73%   422,428,436-438,607
include/qdk/chemistry/data/wavefunction_containers/cas.hpp
                                               1       1   100%
include/qdk/chemistry/data/wavefunction_containers/cc.hpp
                                               1       1   100%
include/qdk/chemistry/data/wavefunction_containers/mp2.hpp
                                               1       1   100%
include/qdk/chemistry/data/wavefunction_containers/sci.hpp
                                               1       1   100%
include/qdk/chemistry/data/wavefunction_containers/sd.hpp
                                               1       1   100%
include/qdk/chemistry/utils/hash.hpp           4       4   100%
include/qdk/chemistry/utils/logger.hpp        41      35    85%   223-224,226,233-234,236
include/qdk/chemistry/utils/string_utils.hpp
                                              11      10    90%   41
src/qdk/chemistry/algorithms/active_space.cpp
                                             232     142    61%   35-36,40-41,45-46,116-118,143-145,147,151-154,156-159,162-163,165-168,173-174,176-179,182-184,187-189,191,194-196,218,220,224,226-229,231-232,236-239,241,243,246-249,251,253,255-256,277-278,307,310,342,347-348,350-353,355-357,359-360,363,367,369-371,413,415,417
src/qdk/chemistry/algorithms/dynamical_correlation_calculator.cpp
                                               8       8   100%
src/qdk/chemistry/algorithms/hamiltonian.cpp
                                              14      14   100%
src/qdk/chemistry/algorithms/localization.cpp
                                              15      15   100%
src/qdk/chemistry/algorithms/mc.cpp           11      11   100%
src/qdk/chemistry/algorithms/microsoft/active_space/autocas_active_space.cpp
                                              80      78    97%   103,133
src/qdk/chemistry/algorithms/microsoft/active_space/autocas_active_space.hpp
                                              16      16   100%
src/qdk/chemistry/algorithms/microsoft/active_space/entropy_active_space.cpp
                                              41      41   100%
src/qdk/chemistry/algorithms/microsoft/active_space/entropy_active_space.hpp
                                              10      10   100%
src/qdk/chemistry/algorithms/microsoft/active_space/occupation_active_space.cpp
                                              60      54    90%   46,48,81,83,101-102
src/qdk/chemistry/algorithms/microsoft/active_space/occupation_active_space.hpp
                                               6       6   100%
src/qdk/chemistry/algorithms/microsoft/active_space/valence_active_space.cpp
                                              75      63    84%   34,36,68-69,76-77,104-105,120-121,124-125
src/qdk/chemistry/algorithms/microsoft/active_space/valence_active_space.hpp
                                               9       9   100%
src/qdk/chemistry/algorithms/microsoft/cholesky_hamiltonian.cpp
                                             448     405    90%   392,410,413-414,433,443,446-447,476-477,526-527,533-535,542-543,550-551,582,585-586,601,609,611-613,759,761,773,778,792,799,862,867-868,870-871,974,980-981,984-985
src/qdk/chemistry/algorithms/microsoft/cholesky_hamiltonian.hpp
                                              11      11   100%
src/qdk/chemistry/algorithms/microsoft/hamiltonian.cpp
                                             247     230    93%   46-47,53-55,62-63,105-106,165-166,289,291,302,314,376,484
src/qdk/chemistry/algorithms/microsoft/hamiltonian.hpp
                                              10      10   100%
src/qdk/chemistry/algorithms/microsoft/localization/iterative_localizer_base.cpp
                                               5       5   100%
src/qdk/chemistry/algorithms/microsoft/localization/iterative_localizer_base.hpp
                                               8       8   100%
src/qdk/chemistry/algorithms/microsoft/localization/mp2_natural_orbitals.cpp
                                              79      74    93%   44,81,83,104,106
src/qdk/chemistry/algorithms/microsoft/localization/mp2_natural_orbitals.hpp
                                               3       3   100%
src/qdk/chemistry/algorithms/microsoft/localization/pipek_mezey.cpp
                                             169     160    94%   26,34,41,43,47,49,246,329,332
src/qdk/chemistry/algorithms/microsoft/localization/pipek_mezey.hpp
                                               6       6   100%
src/qdk/chemistry/algorithms/microsoft/localization/vvhv.cpp
                                             609     538    88%   308,310-311,424-425,448,506,633,635,640,656-659,662,672-675,678,713-715,721-725,753-756,759,781,783-785,863-867,913-917,935-938,942-945,947-949,952,1026,1089-1091,1120,1162,1181,1184,1188,1190,1195-1196
src/qdk/chemistry/algorithms/microsoft/localization/vvhv.hpp
                                               6       6   100%
src/qdk/chemistry/algorithms/microsoft/macis_asci.cpp
                                              53      50    94%   51,139,141
src/qdk/chemistry/algorithms/microsoft/macis_asci.hpp
                                              61      61   100%
src/qdk/chemistry/algorithms/microsoft/macis_base.cpp
                                              74      58    78%   29-31,41,46,98-99,102,106-107,110-112,119-121
src/qdk/chemistry/algorithms/microsoft/macis_base.hpp
                                              63      56    88%   62-67,69
src/qdk/chemistry/algorithms/microsoft/macis_cas.cpp
                                              42      39    92%   47,104,106
src/qdk/chemistry/algorithms/microsoft/macis_cas.hpp
                                               3       3   100%
src/qdk/chemistry/algorithms/microsoft/macis_pmc.cpp
                                              79      77    97%   114,153
src/qdk/chemistry/algorithms/microsoft/macis_pmc.hpp
                                              16      16   100%
src/qdk/chemistry/algorithms/microsoft/mp2.cpp
                                             191     173    90%   33,78,82-83,93-94,97,101-102,142-143,146-147,157-158,161,165-166
src/qdk/chemistry/algorithms/microsoft/mp2.hpp
                                               2       2   100%
src/qdk/chemistry/algorithms/microsoft/scf.cpp
                                             260     241    92%   100-101,122-124,126,130-131,189,234,307,339,344,346,372-374,393,462
src/qdk/chemistry/algorithms/microsoft/scf.hpp
                                              18      18   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/basis_set.h
                                               9       8    88%   134
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/enums.h
                                              16       0     0%   29-30,39-40,45-50,61-66
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/eri.h
                                               6       6   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/exc.h
                                               3       3   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/moeri.h
                                               3       3   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/molecule.h
                                               1       1   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/core/scf_algorithm.h
                                               1       1   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/eri/eri_multiplexer.h
                                               6       3    50%   126-127,135
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/cache.h
                                              27      26    96%   44
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/class_registry.h
                                              13      13   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/gauxc_registry.h
                                               6       5    83%   39
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/gauxc_util.h
                                              21      21   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/int1e.h
                                               2       2   100%
src/qdk/chemistry/algorithms/microsoft/scf/include/qdk/chemistry/scf/util/singleton.h
                                              13      13   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/core/basis_set.cpp
                                             361     279    77%   33-34,92-93,97-98,146,150-154,157-161,172,183-184,188,190-191,197-198,201-206,210,212-215,217,219,223,225-226,228-229,231,248,257,265-266,313-314,335,337,342-343,345-346,348,401,406-407,415,436,458,460-461,463-465,478,480,482-485,487,490,493-494,542,544,548-549
src/qdk/chemistry/algorithms/microsoft/scf/src/core/scf.cpp
                                               7       7   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/eri.cpp
                                              35      28    80%   58-60,64-65,88-89
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/eri_df_base.cpp
                                              34      32    94%   29-30
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/eri_df_base.h
                                               2       2   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/eri_multiplexer.cpp
                                              61      37    60%   16-17,26-29,40,46-49,52-55,79,81,83-85,87-88,91,93
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/INCORE/incore.cpp
                                              40      27    67%   38,40,42,62,64,66-68,70-71,73-75
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/INCORE/incore_impl.cpp
                                              97      89    91%   43,134,136,236,238,240,288,290
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/INCORE/incore_impl_df.cpp
                                             101      59    58%   85-86,88,201,203,205-212,214-219,222,225-231,234,251,254,261-262,284,289,303-304,307,318-319,321-322,324
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/LIBINT2_DIRECT/libint2_direct.cpp
                                             178     166    93%   591,593,595,890,892-895,898,900-902
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/moeri.cpp
                                              36      34    94%   32-33
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/schwarz.cpp
                                              33      13    39%   80-81,83-88,90-93,95-98,101-102,104,106
src/qdk/chemistry/algorithms/microsoft/scf/src/eri/SNK/snk.cpp
                                              64       0     0%   36,57-59,61-64,67-69,95,97,99-101,104-107,111-113,116-118,121-124,143,145,147,164-165,167,183,187,189,195-196,198-201,203,206,208,210-212,215,217,219-221,224,226,228-229,233-234,236-237
src/qdk/chemistry/algorithms/microsoft/scf/src/exc/exc.cpp
                                              16      14    87%   42-43
src/qdk/chemistry/algorithms/microsoft/scf/src/exc/GauXC/gauxc.cpp
                                              34      25    73%   42,46-47,50-52,54,56,67
src/qdk/chemistry/algorithms/microsoft/scf/src/exc/GauXC/gauxc_impl.cpp
                                             229     163    71%   79,119,160-161,249-258,260,262-270,352-353,360-364,366,368-377,380-381,383-384,387-389,396,398-399,405-409,411,413-417,419-420,426
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/cpscf.cpp
                                             231     229    99%   228,233
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/guess.cpp
                                              63      63   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/ks_impl.cpp
                                              81      63    77%   73,75-82,140,155-158,160-161,171-172
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/scf_impl.cpp
                                             535     405    75%   73,106,112,157-158,174-175,318-319,328-331,455,459,539,576,595-597,661,700-701,705-706,715-720,730,734-737,739-746,759-763,765-768,770-771,778-779,781-786,788-793,795,803-806,816-817,828-830,841-846,849-852,855,858,860,959-961,964,966,970-971,973-977,979-982,984-985,989,991,993-1001,1004-1007,1010-1012,1014,1016
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/scf_impl.h
                                              20      16    80%   98-100,113
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/scf_solver.cpp
                                              82      54    65%   35,37,51,55-59,66,68,90,92-93,101-103,111-113,126-128,131-133,141-143
src/qdk/chemistry/algorithms/microsoft/scf/src/scf/soad.cpp
                                              15       0     0%   189,192-204,208
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/asahf.cpp
                                             277     268    96%   48,50,67-68,100,270,465-466,517
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/diis.cpp
                                             133     128    96%   136,317-320
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/diis_gdm.cpp
                                              36      36   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/gdm.cpp
                                             396     361    91%   226,249,272,443-446,449-452,478-482,487,518-522,663,666-672,803,807,894,898,900
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/line_search.h
                                              63      62    98%   60
src/qdk/chemistry/algorithms/microsoft/scf/src/scf_algorithm/scf_algorithm.cpp
                                             105      99    94%   59-60,67-70
src/qdk/chemistry/algorithms/microsoft/scf/src/util/gauxc_util.cpp
                                              85      20    23%   26-31,34-43,48-49,52-59,63-66,68,70,72-74,81-88,92-99,106-111,115-118,122-123,134-135
src/qdk/chemistry/algorithms/microsoft/scf/src/util/int1e.cpp
                                             336     226    67%   206-209,211,243,288,290-296,298-303,305-311,314-315,326,328-329,569,592,622,699,702-703,705,713,755,757-758,762-771,780,782-783,787-796,805,807-808,812-824,826-829,838,941-942,946-954,956-962,964-967,976
src/qdk/chemistry/algorithms/microsoft/scf/src/util/libint2_util.cpp
                                             181      91    50%   39,42-45,47,49-51,53-54,58-60,64-66,72,74,76-79,81-82,85-91,94-95,97-102,104-107,109-119,125-126,477,483-490,492-495,497,499,503-504,506,560,562,566-569,571-573,576,580-582,584,627
src/qdk/chemistry/algorithms/microsoft/scf/src/util/matrix_exp.cpp
                                              53      53   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/util/mpi_vars.h
                                               2       2   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/util/opt/gmresxx/arnoldi/arnoldi.h
                                              12      12   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/util/opt/gmresxx/arnoldi/arnoldi_gmres.h
                                             202     168    83%   53-55,176,183,185-188,190-194,196,198,202,205,209,212,217-218,221,223,290,293-294,298,481-482,493,522-523,589
src/qdk/chemistry/algorithms/microsoft/scf/src/util/opt/gmresxx/linalg.h
                                              40      40   100%
src/qdk/chemistry/algorithms/microsoft/scf/src/util/timer.h
                                              29      29   100%
src/qdk/chemistry/algorithms/microsoft/stability.cpp
                                             316     293    92%   191-192,321-323,411,413,430,433-442,446,448,452,454,489
src/qdk/chemistry/algorithms/microsoft/stability.hpp
                                              13      13   100%
src/qdk/chemistry/algorithms/microsoft/utils.cpp
                                             248     171    69%   45-46,52,54,111-112,123-124,126-127,133,135,138-139,141,143-147,150-151,182,184,186,190-191,195,198-205,207-209,211,214-218,220-225,227-229,231,234-235,237,240-245,251,253-255,258-262,387-388,427,429
src/qdk/chemistry/algorithms/pmc.cpp           8       8   100%
src/qdk/chemistry/algorithms/scf.cpp           7       7   100%
src/qdk/chemistry/algorithms/stability.cpp
                                               6       6   100%
src/qdk/chemistry/data/ansatz.cpp            553     380    68%   26,36,39,46-48,50-51,53,55-56,58-60,62,69,84,99,104-105,107-108,115,120,122,148,150,207,209,280,295,297,302-303,336-340,345,347,357,359,362,364,374,376,379,381,394,396,401,403-404,410,412,417,419-420,434,436,441,443-444,449,451,456,458-459,461-462,464,468-469,471-472,474-475,477-478,480-484,486-487,489,492,495-500,502-503,506-508,510,513,515-516,549,559,569,579,601,608,612,626,630-631,641,651-652,659,668,684-687,690-691,694-696,698-699,701-703,719,727,744-747,782-783,792-793,804,812-813,824,835-836,843,852,869-872,875-876,879-881,883-884,886-888,894-895,906-907,931-934
src/qdk/chemistry/data/basis_set.cpp        1438    1250    86%   31,38,70,91-92,221,225,259-260,276-277,326-327,341,361,387,402,433,460,493,506-507,513-514,529-530,545-546,565,568-569,615,618-620,648,651-653,719,761,785,814,845,881,914,936,966,1006,1023,1032,1050,1067,1079,1090,1180-1181,1235,1249,1262,1276,1291,1298,1308,1310,1317,1331-1332,1465,1522-1523,1537-1539,1541-1542,1548-1551,1560-1561,1727,1791-1792,1805-1806,1906,1914,1926,1962-1966,1968-1970,1973-1977,2010,2024-2028,2031-2040,2042-2045,2047-2051,2053-2055,2058-2061,2065-2066,2068,2070-2074,2077-2078,2082-2086,2090-2092,2098-2101,2103-2105,2108,2110,2112,2132-2133,2142-2143,2151-2153,2160-2161,2181-2182,2184,2201-2203,2268-2269,2271-2276,2282,2390
src/qdk/chemistry/data/configuration.cpp     279     171    61%   67,167,170,172-173,176-177,179-180,183-184,186,190,194-195,204,210,236-238,266-268,271-272,274-283,285,287,289-292,294-295,297,299-300,302-304,307-308,310-311,313,315-316,318-325,327,329,331-334,336-337,341-342,344-348,351-352,354-355,358-359,361-368,370-371,373-381,421-422,432,434
src/qdk/chemistry/data/configuration_set.cpp
                                             328     209    63%   33-34,85-87,90-92,234,247,272-277,287-288,331-333,350-354,356,376-377,400-402,421,425,427,429,431-434,436-437,439,441-442,444-447,450-451,453-455,458-463,465-466,468-478,480,482,484-487,489-490,494-495,497-501,503,506-508,510-514,517-524,526-527,529-540
src/qdk/chemistry/data/filename_utils.hpp
                                              44      26    59%   30-33,35-36,51-53,72-75,77-78,93-95
src/qdk/chemistry/data/hamiltonian.cpp       463     319    68%   38,43-44,65,70-71,79,92,94-96,99-101,105-112,129,137,157-159,191-192,210-214,229-233,238,240,246,248,271-284,286,289-290,293-296,298-301,304-307,309-312,316-319,321-324,327-331,333-336,338-341,343-346,349-350,356,367,376-377,392,395-396,428,441,453,466,479,492,499,517,535,542,549,556-558,564,575-576,596-597,613-614,622-623,648-652,681,683-684,747-749
src/qdk/chemistry/data/hamiltonian_containers/canonical_four_center.cpp
                                             493     428    86%   38-39,67-68,98,110,128-129,156,163,169-171,204-205,213,282,315,355,359,367,379,391,397-398,429,438,443-444,449-450,468,476,483-490,493-500,520-522,603-604,613-614,640,662,727-728,742,754,757,762,765
src/qdk/chemistry/data/hamiltonian_containers/cholesky.cpp
                                             243     173    71%   62-67,98,102,110,122,134,140-141,169-170,172,181,186-187,192-193,206-207,210-213,219,235-242,245-252,265,268,272-274,302-303,312-313,339,361,378,388-390,392-394,400-401,407-408,425,428,432-433
src/qdk/chemistry/data/hdf5_error_handling.hpp
                                              10       3    30%   20-21,23,25-26,28-29
src/qdk/chemistry/data/hdf5_serialization.cpp
                                             240     119    49%   13,15-22,24,26-32,34,36-44,46,48-56,65-67,69-71,73-74,77-79,82-85,95,98,106-109,111-113,115-116,119-121,124-127,138,141,143-150,153-160,238-240,249-251,253-255,258-260,277-280,282-286,288-289,308-310,312-316,318-319
src/qdk/chemistry/data/json_serialization.cpp
                                             177      86    48%   29,38,45-47,57,64-68,70-71,83,90-92,94-98,100,102-103,105,114,120-121,128-129,131,133-134,136-139,141,143-146,148-149,152-153,155,163-164,173,178-179,188-189,196,201,210,212,214,216-217,219-222,225-229,231-236,246-249,252-256,260-264
src/qdk/chemistry/data/orbitals.cpp         1177     915    77%   106-107,128,144-145,151-152,156-157,178,180,237,251,292,307,321,363,373,377,400,403,405-406,409-413,416-417,421-424,426-427,429,431,433-434,437-440,443,447,449,453,455,457-458,461-467,470-471,474-475,477-478,480,482,484-485,488-492,495,498,500,563-567,570-571,573-574,576-577,580-581,584,586,589-590,592-593,595-596,599-601,604,606,609-610,612-613,615-616,619-620,623,625,665,668,691,759,770,776,781,808,818,862-866,904,917,929,942,962,980,989,1065-1068,1083-1084,1109-1113,1121-1122,1157,1181-1182,1191-1192,1198-1199,1205-1206,1208-1209,1212-1213,1215-1216,1229,1231-1232,1236-1237,1243,1285-1286,1314,1320,1364-1368,1396-1397,1399-1403,1406,1409,1411,1414,1416,1419,1421-1423,1425-1427,1430-1432,1434-1436,1438-1441,1460-1462,1465-1467,1470-1472,1534-1535,1564-1566,1581-1583,1617-1618,1630-1631,1789-1793,1806-1807,1810,1813-1814,1817-1819,1821,1860,1897,1912-1914,1963-1964,1999-2000,2006-2007,2013-2014,2016-2017,2020-2021,2023-2024,2031,2047-2048
src/qdk/chemistry/data/pauli_operator.cpp
                                             756     683    90%   60,63,87-88,190,202-203,224,397,407,421-423,517,555-557,559-561,577-579,581-583,606,609,721,806,818,820-821,855,860-862,877,882-884,912,938-942,944,946,951,956,996,1014-1016,1029,1036-1037,1039-1044,1062,1073-1076,1202,1222,1300,1343
src/qdk/chemistry/data/settings.cpp         1106     554    50%   23,27,55-64,66-81,88-93,96-99,101-105,107-111,113,115-118,120-125,127-131,133-143,147-156,169,173,210,222-225,227-229,232-236,238-239,241-243,245-246,248-249,292-293,296,311,342-343,346-348,350-355,357,359-364,367,387-391,394-395,398,400,406,408,410,414,416,420,464-465,467,469,471-472,474-477,481-482,484-486,489-490,494-496,499-501,505,507,510-515,520-524,526-536,538-541,543-547,549-552,556,560-563,567-571,575-578,581-585,587-588,590,592-595,597-599,601-602,604-606,608,610-612,614-618,621-625,627,629-631,633-635,637-641,644-648,650,652-654,657-659,661,664-666,669-670,673-680,682-683,685-686,689-690,692-698,701-707,711,714-715,718-719,722-723,726-727,730-734,736,738,740-741,743-746,748-749,751-752,754-757,759-760,762,764-767,770,772-775,779-784,788-789,791,793-796,800,803-804,817,823,826,831-833,836,844,848,865,869-870,887-890,899,902,974-975,987,989,1137,1139-1142,1145,1147-1148,1154-1155,1158-1163,1165,1169,1171,1176,1180-1182,1188,1192,1195-1196,1201,1203-1205,1209,1254,1261,1279,1330-1332,1362,1368-1371,1393-1394,1429-1430,1432,1461-1463,1482-1487,1513-1515,1517,1519-1520,1523-1525,1527-1529,1535,1556-1563,1566-1569,1625,1653,1668-1670,1674-1684,1686-1691,1693-1695,1697-1703,1705-1707,1709,1711,1713-1717,1719-1723,1725-1727,1729-1730,1732-1739,1741-1750,1752-1754,1756-1758,1774
src/qdk/chemistry/data/stability_result.cpp
                                             317     292    92%   25,32,42,176,213,218,271,281,299,315,344,346,350,356,379,419,421,425,451,458,503-507
src/qdk/chemistry/data/structure.cpp         761     703    92%   86,101,115-116,127,140,159,176-177,204,245-246,295,479,492,512,530,649,665,802,816,964-966,974-975,985,995-996,1018-1019,1027,1055-1057,1063,1076,1122-1123,1126,1132-1135,1138-1147,1151-1153,1156
src/qdk/chemistry/data/wavefunction.cpp     1319    1123    85%   44,64,124,127,135-137,222-223,240,262-266,268-272,275,295-300,303,347,410,423,443,448,459-462,465-474,501-504,506-507,522,524,546,548,561-562,564,589,591,604,606,624,626,857-861,1024,1038,1054,1056,1061,1063,1085-1086,1121-1122,1125,1128-1129,1132-1134,1137,1153-1155,1157-1158,1169,1171,1174-1175,1196-1199,1201,1236,1238-1239,1264,1281,1407,1486-1489,1517,1524,1530,1537,1553,1559-1561,1567,1578,1608-1609,1624-1625,1632-1633,1653,1658-1659,1665,1676,1712,1800-1801,1811-1812,1839,1874-1875,1905-1906,1947-1948,1951,1954-1955,1958-1960,1963,1987,1989,1992-1993,2001-2003,2021-2023,2025-2026,2032-2035,2038-2048,2050-2051,2053-2056,2059-2062,2064-2066,2068-2069,2071-2072
src/qdk/chemistry/data/wavefunction_containers/cas.cpp
                                             250     197    78%   74-75,77-80,82-83,85-86,88,90-91,93-94,96-97,99,114,159-160,164,166,170,172,176-177,189-191,197,199-202,205-208,225-226,229-230,335-337,357,375-376,385,396,419-420
src/qdk/chemistry/data/wavefunction_containers/cc.cpp
                                             541     259    47%   30,36,41-43,45,56,61-63,81,90,95-97,120,124,129,131,134,138,143-144,146-149,151,159-160,194-199,225-232,241-247,275-276,279,282,285-286,289-290,293-294,297-298,302-303,305-319,321-346,348-349,351-352,354-356,359,361-362,366-368,370,373,375-376,378,382-384,386,394,406,423-426,429,431-433,436-439,442,444-445,448,450-454,456-457,459,462-463,485-487,489-491,493-495,497-499,501-503,529,536,567-570,632-633,699-700,703,705,707,710-711,713-714,716,719,721-724,726-728,731-735,739-740,742-743,746-747,750-752,755-757,762,764-765,768-769,772,774-777,781,783-786,789-791,794-795,798-802,806-807,810-811,814,816-818,821-824,826-829,832-833,836-838,840,843-844,847-849,851,854-855,858-860,862,865-867,869,871-873,876-877
src/qdk/chemistry/data/wavefunction_containers/mp2.cpp
                                             266     196    73%   28,32,36-37,41-43,56-58,61-64,67,69-71,74,76-78,85,125-126,185-186,255-257,260,262-264,267-269,272-275,278-283,285-291,293-294,315,378-379,409-410,418,431-433,435,439-441,443
src/qdk/chemistry/data/wavefunction_containers/sci.cpp
                                             211     174    82%   76-77,79-82,84-85,87-88,90,92-93,95-96,98-99,101,115,149,151,153-154,164-165,168-169,258-260,280,298-299,308,319,342-343
src/qdk/chemistry/data/wavefunction_containers/sd.cpp
                                             399     336    84%   17,42-46,54,56-60,111,113,118,120,136-137,140,143-144,156,158,161-162,200,202,205-206,275,277,280-282,309,311,314,316,369,371,467,497-498,501,511-512,515,562,571,577,591,599-602,646-647,664-665,683-684,694-695
src/qdk/chemistry/utils/logger.cpp            98      93    94%   184-186,205,250
src/qdk/chemistry/utils/orbital_rotation.cpp
                                              93      56    60%   60-62,140-142,145,149-150,152,154-155,176,178,180,182,185-186,188,192-193,196-197,200,202-203,205,208-211,214,218-219,221,223-224
src/qdk/chemistry/utils/valence_space.cpp
                                              43      37    86%   60-63,79,83
------------------------------------------------------------------------------
TOTAL                                      20228   15998    79%
------------------------------------------------------------------------------
Python Coverage Details
src/qdk_chemistry/plugins/qiskit/regular_isometry.py                                                40      0   100%
src/qdk_chemistry/plugins/qiskit/standard_phase_estimation.py                                       69      4    94%
src/qdk_chemistry/utils/__init__.py                                                                  3      0   100%
src/qdk_chemistry/utils/cubegen.py                                                                  54     54     0%
src/qdk_chemistry/utils/enum.py                                                                     23     10    57%
src/qdk_chemistry/utils/phase.py                                                                    39      1    97%
src/qdk_chemistry/utils/telemetry.py                                                               135     87    36%
src/qdk_chemistry/utils/telemetry_events.py                                                         59     48    19%
src/qdk_chemistry/utils/wavefunction.py                                                             57     57     0%
--------------------------------------------------------------------------------------------------------------------
TOTAL                                                                                             4706    790    83%
Coverage HTML written to dir ../coverage-reports/python_coverage_html
Coverage XML written to file ../coverage-reports/python_coverage.xml
=========================== short test summary info ============================
SKIPPED [1] tests/test_docs_examples.py:161: Qiskit Aer not available
SKIPPED [2] tests/test_docs_examples.py:161: Qiskit Nature not available
SKIPPED [1] tests/test_encoding_metadata.py:197: Qiskit Nature not available
SKIPPED [1] tests/test_energy_estimator.py:323: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_circuit_executor.py:56: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_circuit_executor.py:62: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_circuit_executor.py:81: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:39: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:51: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:68: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:103: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:126: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:151: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_energy_estimator.py:172: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:22: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:30: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:44: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:66: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:93: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_noise_model.py:103: Qiskit Aer not available
SKIPPED [3] tests/test_interop_qiskit_qubit_mapper.py:26: Qiskit Nature not available
SKIPPED [1] tests/test_interop_qiskit_state_prep_energy_validation.py:29: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_state_prep_energy_validation.py:65: Qiskit Aer not available
SKIPPED [1] tests/test_interop_qiskit_state_prep_energy_validation.py:95: Qiskit Aer not available
SKIPPED [6] tests/test_interop_qiskit_state_prep_energy_validation.py:158: Qiskit Aer not available
SKIPPED [1] tests/test_phase_estimation_iterative.py:415: Qiskit Aer not available
SKIPPED [1] tests/test_qdk_qubit_mapper.py:575: Qiskit Nature not available
SKIPPED [1] tests/test_qdk_qubit_mapper.py:794: Qiskit Nature not available
SKIPPED [1] tests/test_sample_workflow.py:219: Skipping slow test. Set QDK_CHEMISTRY_RUN_SLOW_TESTS=1 to enable.
SKIPPED [1] tests/test_sample_workflow.py:236: Skipping slow test. Set QDK_CHEMISTRY_RUN_SLOW_TESTS=1 to enable.
SKIPPED [1] tests/test_sample_workflow_openfermion.py:35: OpenFermion not available
SKIPPED [1] tests/test_sample_workflow_qiskit.py:43: Qiskit dependencies not available
SKIPPED [1] tests/test_sample_workflow_qiskit.py:65: Qiskit dependencies not available
SKIPPED [1] tests/test_sample_workflow_qiskit.py:107: Qiskit dependencies not available
SKIPPED [1] tests/test_sample_workflow_rdkit.py:30: Skipping: RDKit not installed
=========== 1153 passed, 43 skipped, 1 warning in 1256.80s (0:20:56) ===========
Pybind11 Coverage Details
------------------------------------------------------------------------------
                           GCC Code Coverage Report
Directory: .
------------------------------------------------------------------------------
File                                       Lines     Exec  Cover   Missing
------------------------------------------------------------------------------
src/pybind11/algorithms/active_space.cpp      37       37   100%
src/pybind11/algorithms/davidson_solver.cpp
                                              35       34    97%   28
src/pybind11/algorithms/dynamical_correlation_calculator.cpp
                                              30       30   100%
src/pybind11/algorithms/factory_bindings.hpp
                                             198      189    95%   218,218,218,218,218,218,218,218,218
src/pybind11/algorithms/hamiltonian.cpp       35       35   100%
src/pybind11/algorithms/localizer.cpp         37       37   100%
src/pybind11/algorithms/mc.cpp                36       36   100%
src/pybind11/algorithms/mcscf.cpp             33       33   100%
src/pybind11/algorithms/pmc.cpp               35       34    97%   178
src/pybind11/algorithms/scf.cpp               34       34   100%
src/pybind11/algorithms/stability.cpp         33       33   100%
src/pybind11/algorithms/syev_solver.cpp       19       18    94%   43
src/pybind11/constants.cpp                    89       89   100%
src/pybind11/data/ansatz.cpp                  69       69   100%
src/pybind11/data/basis_set.cpp              204      204   100%
src/pybind11/data/configuration.cpp           30       29    96%   200
src/pybind11/data/configuration_set.cpp       84       84   100%
src/pybind11/data/data_class.cpp             107       26    24%   19-20,23-24,27,29,32,34-37,39-44,46,48-49,52,54,57-59,64,67,71-72,75,78-79,81-82,90,92,94-96,98,101,104-105,107,110,113-115,117-120,124,126,128-129,131,133,135-137,139,141,143-145,150-151,153,156-157,159,162-163,165,168-169,171,174,176,178
src/pybind11/data/element_data.cpp           123      123   100%
src/pybind11/data/hamiltonian.cpp            186      179    96%   61,64,66,407,426,599,619
src/pybind11/data/orbitals.cpp               138      137    99%   940
src/pybind11/data/path_utils.hpp              19       11    57%   37,39,42-47
src/pybind11/data/pauli_operator.cpp         274      253    92%   146,257,322,398,403,409,415,427,467,473,505,511,517,529,604,636,641,655,659,667,687
src/pybind11/data/property_binding_helpers.hpp
                                             288      288   100%
src/pybind11/data/serialization.cpp            5        5   100%
src/pybind11/data/settings.cpp               718      485    67%   40-41,57-58,108-109,115-116,121-122,127,129,134,136,162-166,175-177,180-183,188-192,196-198,208-211,215-219,228-231,235-240,244-247,257-260,264-268,271-275,279-289,291-309,311-325,327-329,333,336-338,375-378,391,441,443-444,480,551,1211,1219,1225,1228,1345,1379,1457,1520,1545,1570,1596,1660,1748-1749,1751-1755,1789-1793,1795-1800,1851,1905,1931-1932,1934,1937-1940,1966,2008-2009,2011-2012,2043-2044,2046,2049-2052,2079-2081,2102-2104,2106-2107,2126-2132,2152-2154,2156-2157,2179-2183,2185-2190,2221-2222,2240-2246,2268-2269,2287-2293
src/pybind11/data/stability_result.cpp       112      112   100%
src/pybind11/data/structure.cpp              199      184    92%   69,72,75-78,82-84,87,90-91,969,977,999
src/pybind11/data/wavefunction.cpp           309      297    96%   38,177-178,181,185,191,386-390,392
src/pybind11/module.cpp                       41       41   100%
src/pybind11/qdk_scf_config.cpp               12       12   100%
src/pybind11/utils/logger.cpp                191      177    92%   27,54,68-69,92,97-99,105-106,262-263,476,480
src/pybind11/utils/orbital_rotation.cpp        7        7   100%
src/pybind11/utils/valence_space.cpp           5        5   100%
------------------------------------------------------------------------------
TOTAL                                       3772     3367    89%
------------------------------------------------------------------------------

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