Merge pull request #5150 from ye-luo/protect-sh-tests

Check python modules before adding self-healing tests.
QMCPACK · Aug 27, 2024 · a78b21c · a78b21c
2 parents 2ea2fb7 + efa8761
commit a78b21c
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Showing 2 changed files with 99 additions and 96 deletions.
diff --git a/tests/estimator/CMakeLists.txt b/tests/estimator/CMakeLists.txt
@@ -21,29 +21,29 @@ if(NOT ${QMCAPP_ERR} STREQUAL "")
   message("${QMCAPP_ERR}  skipping tests")
 endif()
 
-check_python_reqs("numpy;h5py" estimator-skinetic add_test)
+check_python_reqs("numpy;h5py" estimator-skinetic add_tests)
 
-if(add_test)
+if(add_tests)
   simple_run_and_check(estimator-skinetic "${qmcpack_SOURCE_DIR}/tests/estimator/skinetic" vmc.xml 1 16
                        skinetic_check.py)
 endif()
 
-check_python_reqs("numpy;pandas;h5py" estimator-latdev add_test)
+check_python_reqs("numpy;pandas;h5py" estimator-latdev add_tests)
 
-if(add_test)
+if(add_tests)
   simple_run_and_check(estimator-latdev "${qmcpack_SOURCE_DIR}/tests/estimator/latdev" vmc.xml 1 16 latdev_check.py)
 endif()
 
-check_python_reqs("numpy;h5py" estimator-latdev-free add_test)
+check_python_reqs("numpy;h5py" estimator-latdev-free add_tests)
 
-if(add_test)
+if(add_tests)
   simple_run_and_check(estimator-latdev-free "${qmcpack_SOURCE_DIR}/tests/estimator/latdev/free" two.xml 1 16
                        flatdev.py)
 endif()
 
-check_python_reqs("numpy;pandas;h5py" estimator-sofk add_test)
+check_python_reqs("numpy;pandas;h5py" estimator-sofk add_tests)
 
-if(add_test)
+if(add_tests)
   simple_run_and_check(
     estimator-sofk_pbyp-properties
     "${qmcpack_SOURCE_DIR}/tests/estimator/sofk"

diff --git a/tests/molecules/LiH_ae_MSD/CMakeLists.txt b/tests/molecules/LiH_ae_MSD/CMakeLists.txt
@@ -166,94 +166,97 @@ if(NOT QMC_COMPLEX)
 
 
   # self-healing deterministic vmc tests
-  if(QMC_MIXED_PRECISION)
-    simple_run_and_check(
-      deterministic-LiH_ae_msdj_legacy-vmc-estimator-sh_coeff
-      "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
-      det_vmc_sh_legacy.in.xml
-      4
-      4
-      check_stats.py
-      -s
-      0
-      -q
-      sh_coeff
-      -a
-      2e-6
-      -e
-      0
-      -c
-      5
-      -p
-      det_vmc_sh_legacy
-      -r
-      qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
-
-    simple_run_and_check(
-      deterministic-LiH_ae_msdj_batched-vmc-estimator-sh_coeff
-      "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
-      det_vmc_sh_batched.in.xml
-      4
-      4
-      check_stats.py
-      -s
-      0
-      -q
-      sh_coeff
-      -a
-      2e-6
-      -e
-      0
-      -c
-      5
-      -p
-      det_vmc_sh_batched
-      -r
-      qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
-  else()
-    simple_run_and_check(
-      deterministic-LiH_ae_msdj_legacy-vmc-estimator-sh_coeff
-      "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
-      det_vmc_sh_legacy.in.xml
-      4
-      4
-      check_stats.py
-      -s
-      0
-      -q
-      sh_coeff
-      -a
-      1e-8
-      -e
-      0
-      -c
-      5
-      -p
-      det_vmc_sh_legacy
-      -r
-      qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
-
-    simple_run_and_check(
-      deterministic-LiH_ae_msdj_batched-vmc-estimator-sh_coeff
-      "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
-      det_vmc_sh_batched.in.xml
-      4
-      4
-      check_stats.py
-      -s
-      0
-      -q
-      sh_coeff
-      -a
-      1e-8
-      -e
-      0
-      -c
-      5
-      -p
-      det_vmc_sh_batched
-      -r
-      qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
+  check_python_reqs("numpy;h5py" estimator-sh_coeff add_tests)
+  if(add_tests)
+    if(QMC_MIXED_PRECISION)
+      simple_run_and_check(
+        deterministic-LiH_ae_msdj_legacy-vmc-estimator-sh_coeff
+        "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
+        det_vmc_sh_legacy.in.xml
+        4
+        4
+        check_stats.py
+        -s
+        0
+        -q
+        sh_coeff
+        -a
+        2e-6
+        -e
+        0
+        -c
+        5
+        -p
+        det_vmc_sh_legacy
+        -r
+        qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
+
+      simple_run_and_check(
+        deterministic-LiH_ae_msdj_batched-vmc-estimator-sh_coeff
+        "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
+        det_vmc_sh_batched.in.xml
+        4
+        4
+        check_stats.py
+        -s
+        0
+        -q
+        sh_coeff
+        -a
+        2e-6
+        -e
+        0
+        -c
+        5
+        -p
+        det_vmc_sh_batched
+        -r
+        qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
+    else()
+      simple_run_and_check(
+        deterministic-LiH_ae_msdj_legacy-vmc-estimator-sh_coeff
+        "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
+        det_vmc_sh_legacy.in.xml
+        4
+        4
+        check_stats.py
+        -s
+        0
+        -q
+        sh_coeff
+        -a
+        1e-8
+        -e
+        0
+        -c
+        5
+        -p
+        det_vmc_sh_legacy
+        -r
+        qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
+
+      simple_run_and_check(
+        deterministic-LiH_ae_msdj_batched-vmc-estimator-sh_coeff
+        "${qmcpack_SOURCE_DIR}/tests/molecules/LiH_ae_MSD"
+        det_vmc_sh_batched.in.xml
+        4
+        4
+        check_stats.py
+        -s
+        0
+        -q
+        sh_coeff
+        -a
+        1e-8
+        -e
+        0
+        -c
+        5
+        -p
+        det_vmc_sh_batched
+        -r
+        qmc-ref/det_vmc_sh.s000.stat_ref_sh_coeff.dat)
+    endif()
   endif()
 
 else()