Tests fail with clang 12

[awvwgk]

Building with clang 12.0.1 on MacOS results in two test failures:

[ RUN      ] Sto6gBasisTest.Pm3BasisFileIsCorrect
$SRC_DIR/src/Sparrow/Tests/Nddo/Sto6gBasisTest.cpp:144: Failure
Value of: Sto6gBasisTest::filesAreIdentical(fileName, "PM3-STO-6G.basis")
  Actual: false
Expected: true
[  FAILED  ] Sto6gBasisTest.Pm3BasisFileIsCorrect (2 ms)
[ RUN      ] Sto6gBasisTest.Pm6BasisFileIsCorrect
$SRC_DIR/src/Sparrow/Tests/Nddo/Sto6gBasisTest.cpp:151: Failure
Value of: Sto6gBasisTest::filesAreIdentical(fileName, "PM6-STO-6G.basis")
  Actual: false
Expected: true
[  FAILED  ] Sto6gBasisTest.Pm6BasisFileIsCorrect (6 ms)

...

[----------] Global test environment tear-down
[==========] 317 tests from 36 test suites ran. (9118 ms total)
[  PASSED  ] 315 tests.
[  FAILED  ] 2 tests, listed below:
[  FAILED  ] Sto6gBasisTest.Pm3BasisFileIsCorrect
[  FAILED  ] Sto6gBasisTest.Pm6BasisFileIsCorrect

 2 FAILED TESTS
  YOU HAVE 1 DISABLED TEST

I guess this is related to clang rather than MacOS, but haven't tried reproducing on Linux yet.

Probably related to qcscine/utilities#2

CMake setup

+ cmake -DCMAKE_AR=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ar -DCMAKE_CXX_COMPILER_AR=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ar -DCMAKE_C_COMPILER_AR=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ar -DCMAKE_RANLIB=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ranlib -DCMAKE_CXX_COMPILER_RANLIB=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ranlib -DCMAKE_C_COMPILER_RANLIB=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ranlib -DCMAKE_LINKER=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-ld -DCMAKE_STRIP=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-strip -DCMAKE_INSTALL_NAME_TOOL=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-install_name_tool -DCMAKE_LIBTOOL=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin/x86_64-apple-darwin13.4.0-libtool -DCMAKE_OSX_DEPLOYMENT_TARGET=10.9 -DCMAKE_BUILD_TYPE=Release -DCMAKE_OSX_SYSROOT=/Applications/Xcode_12.4.app/Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX10.9.sdk -DCMAKE_INSTALL_PREFIX=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place -DCMAKE_INSTALL_LIBDIR=lib '-DCMAKE_PROGRAM_PATH=/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_build_env/bin;/Users/runner/miniforge3/conda-bld/scine-sparrow_1649515310241/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place/bin' -B _build -G Ninja -DSCINE_MARCH=
-- The C compiler identification is Clang 12.0.1
-- The CXX compiler identification is Clang 12.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: $BUILD_PREFIX/bin/x86_64-apple-darwin13.4.0-clang - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: $BUILD_PREFIX/bin/x86_64-apple-darwin13.4.0-clang++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Scine::UtilsOS found locally at $PREFIX/lib/cmake/ScineUtilsOS
-- Cereal was not found in your PATH, so it was downloaded.
-- Found OpenMP_C: -fopenmp=libomp (found version "5.0") 
-- Found OpenMP_CXX: -fopenmp=libomp (found version "5.0") 
-- Found OpenMP: TRUE (found version "5.0")  
-- Found Boost: $PREFIX/lib/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0") found components: program_options filesystem 
-- Found GTest locally at: GTest::gtest
-- Found PythonInterp: /Users/runner/miniforge3/bin/python (found version "3.9.10") 
-- Doxygen not found - Documentation for Sparrow will not be built.
-- Configuring done
-- Generating done
CMake Warning:
  Manually-specified variables were not used by the project:

    CMAKE_INSTALL_LIBDIR
    CMAKE_LIBTOOL


-- Build files have been written to: $SRC_DIR/_build

system information

     active environment : base
    active env location : /Users/runner/miniforge3
            shell level : 1
       user config file : /Users/runner/.condarc
 populated config files : /Users/runner/miniforge3/.condarc
          conda version : 4.12.0
    conda-build version : 3.21.8
         python version : 3.9.10.final.0
       virtual packages : __osx=10.15.7=0
                          __unix=0=0
                          __archspec=1=x86_64
       base environment : /Users/runner/miniforge3  (writable)
      conda av data dir : /Users/runner/miniforge3/etc/conda
  conda av metadata url : None
           channel URLs : https://conda.anaconda.org/conda-forge/osx-64
                          https://conda.anaconda.org/conda-forge/noarch
          package cache : /Users/runner/miniforge3/pkgs
                          /Users/runner/.conda/pkgs
       envs directories : /Users/runner/miniforge3/envs
                          /Users/runner/.conda/envs
               platform : osx-64
             user-agent : conda/4.12.0 requests/2.27.1 CPython/3.9.10 Darwin/19.6.0 OSX/10.15.7
                UID:GID : 501:20
             netrc file : None
           offline mode : False

[weymutht]

Thanks a lot for reporting this. We will try to reproduce this on our Linux machines, but if it turns out to be specific to OSX, there is unfortunately next to nothing we can do.