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qcscine / database

https://scine.ethz.ch
BSD 3-Clause "New" or "Revised" License
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Test failures due to missing database connection #3

Closed awvwgk closed 2 years ago

awvwgk commented 2 years ago

I'm trying to build chemoton for a colleague, but I cannot get the database testsuite to pass. I noticed test failures while packaging for conda-forge and therefore started a local build. Most tests currently fail with

unknown file: Failure
C++ exception with description "No connection to a database available." thrown in the test body.
build log ``` ❯ cmake -B _build -G Ninja -DSCINE_MARCH="" -DCMAKE_INSTALL_PREFIX=$CONDA_PREFIX -- The C compiler identification is GNU 11.2.0 -- The CXX compiler identification is GNU 11.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /home/abt-grimme/opt/conda/envs/gcc/bin/x86_64-conda-linux-gnu-cc - 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: /home/abt-grimme/opt/conda/envs/gcc/bin/x86_64-conda-linux-gnu-c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Setting build type to default 'RelWithDebInfo' -- Scine::UtilsOS found locally at /home/abt-grimme/opt/conda/envs/scine/lib/cmake/ScineUtilsOS -- Found MKL: /software/intel/parallel_studio_xe_2019/compilers_and_libraries_2019.6.324/linux/mkl/include -- Found Intel MKL libraries: -- /software/intel/parallel_studio_xe_2019/compilers_and_libraries_2019.6.324/linux/mkl/include -- /software/intel/parallel_studio_xe_2019/compilers_and_libraries_2019.6.324/linux/mkl/lib/intel64/libmkl_avx2.so -- /software/intel/parallel_studio_xe_2019/compilers_and_libraries_2019.6.324/linux/mkl/lib/intel64/libmkl_vml_avx2.so -- /home/abt-grimme/opt/conda/envs/scine/lib/libmkl_core.so -- /home/abt-grimme/opt/conda/envs/scine/lib/libmkl_intel_lp64.so -- /home/abt-grimme/opt/conda/envs/scine/lib/libmkl_gnu_thread.so -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Found MKL for use with Eigen3 CMake Warning at /home/abt-grimme/opt/conda/envs/scine/lib/cmake/libmongocxx-3.6.7/libmongocxx-config.cmake:15 (message): This CMake target is deprecated. Use 'mongo::mongocxx_shared' instead. Consult the example projects for further details. Call Stack (most recent call first): dev/cmake/ImportMongoCxx.cmake:9 (find_package) src/Database/CMakeLists.txt:10 (import_mongocxx) CMake Warning at /home/abt-grimme/opt/conda/envs/scine/lib/cmake/libbsoncxx-3.6.7/libbsoncxx-config.cmake:15 (message): This CMake target is deprecated. Use 'mongo::bsoncxx_shared' instead. Consult the example projects for further details. Call Stack (most recent call first): /home/abt-grimme/opt/conda/envs/scine/lib/cmake/libmongocxx-3.6.7/libmongocxx-config.cmake:22 (find_package) dev/cmake/ImportMongoCxx.cmake:9 (find_package) src/Database/CMakeLists.txt:10 (import_mongocxx) -- GTest and GMock were not found in your PATH, they are being downloaded. CMake Deprecation Warning at _build/googletest-src/CMakeLists.txt:4 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake. Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions. CMake Deprecation Warning at _build/googletest-src/googlemock/CMakeLists.txt:45 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake. Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions. CMake Deprecation Warning at _build/googletest-src/googletest/CMakeLists.txt:56 (cmake_minimum_required): Compatibility with CMake < 2.8.12 will be removed from a future version of CMake. Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions. -- Found PythonInterp: /home/abt-grimme/opt/conda/envs/gcc/bin/python (found version "3.10.4") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- GTest and GMock sources were downloaded. -- Configuring done -- Generating done -- Build files have been written to: /tmp1/ehlert/scine/database/_build ❯ ninja -C _build/ ninja: Entering directory `_build/' [47/47] Linking CXX executable src/Database/Database_tests ❯ ctest --test-dir _build --output-on-failure Internal ctest changing into directory: /tmp1/ehlert/scine/database/_build Test project /tmp1/ehlert/scine/database/_build Start 1: Database 1/1 Test #1: Database .........................***Failed 0.63 sec Running main() from /tmp1/ehlert/scine/database/_build/googletest-src/googletest/src/gtest_main.cc [==========] Running 215 tests from 19 test suites. [----------] Global test environment set-up. [----------] 4 tests from BoolPropertyTest unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUpTestSuite(). [ RUN ] BoolPropertyTest.Create1 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] BoolPropertyTest.Create1 (0 ms) [ RUN ] BoolPropertyTest.Create2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] BoolPropertyTest.Create2 (0 ms) [ RUN ] BoolPropertyTest.Data unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] BoolPropertyTest.Data (0 ms) [ RUN ] BoolPropertyTest.DataFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] BoolPropertyTest.DataFails (0 ms) unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDownTestSuite(). [----------] 4 tests from BoolPropertyTest (0 ms total) [----------] 11 tests from CollectionTest unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUpTestSuite(). [ RUN ] CollectionTest.QueryID unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.QueryID (0 ms) [ RUN ] CollectionTest.ReturnObjectByID unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.ReturnObjectByID (0 ms) [ RUN ] CollectionTest.ReturnObjectByIDFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.ReturnObjectByIDFails (0 ms) [ RUN ] CollectionTest.QueryByJSON unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.QueryByJSON (0 ms) [ RUN ] CollectionTest.GetOne unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.GetOne (0 ms) [ RUN ] CollectionTest.GetOneWithSort unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.GetOneWithSort (0 ms) [ RUN ] CollectionTest.GetOneAndModify unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.GetOneAndModify (0 ms) [ RUN ] CollectionTest.GetOneAndModifyWithSort unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.GetOneAndModifyWithSort (0 ms) [ RUN ] CollectionTest.RandomSelect unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.RandomSelect (0 ms) [ RUN ] CollectionTest.CountByJSON unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.CountByJSON (1 ms) [ RUN ] CollectionTest.TestLoop unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] CollectionTest.TestLoop (0 ms) unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDownTestSuite(). [----------] 11 tests from CollectionTest (1 ms total) [----------] 4 tests from DenseMatrixPropertyTest unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUpTestSuite(). [ RUN ] DenseMatrixPropertyTest.Create1 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] DenseMatrixPropertyTest.Create1 (0 ms) [ RUN ] DenseMatrixPropertyTest.Create2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] DenseMatrixPropertyTest.Create2 (0 ms) [ RUN ] DenseMatrixPropertyTest.Data unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] DenseMatrixPropertyTest.Data (0 ms) [ RUN ] DenseMatrixPropertyTest.DataFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] DenseMatrixPropertyTest.DataFails (0 ms) unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDownTestSuite(). [----------] 4 tests from DenseMatrixPropertyTest (0 ms total) [----------] 18 tests from ElementaryStepTest unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUpTestSuite(). [ RUN ] ElementaryStepTest.Create unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.Create (0 ms) [ RUN ] ElementaryStepTest.ReactantLHS unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.ReactantLHS (0 ms) [ RUN ] ElementaryStepTest.ReactantRHS unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.ReactantRHS (0 ms) [ RUN ] ElementaryStepTest.ReactantBOTH unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.ReactantBOTH (0 ms) [ RUN ] ElementaryStepTest.ReactantFails1 [ OK ] ElementaryStepTest.ReactantFails1 (0 ms) [ RUN ] ElementaryStepTest.ReactantFails2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.ReactantFails2 (0 ms) [ RUN ] ElementaryStepTest.Type unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.Type (0 ms) [ RUN ] ElementaryStepTest.TypeFails1 [ OK ] ElementaryStepTest.TypeFails1 (1 ms) [ RUN ] ElementaryStepTest.TypeFails2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.TypeFails2 (0 ms) [ RUN ] ElementaryStepTest.TransitionState unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.TransitionState (0 ms) [ RUN ] ElementaryStepTest.TransitionStateFails1 [ OK ] ElementaryStepTest.TransitionStateFails1 (0 ms) [ RUN ] ElementaryStepTest.TransitionStateFails2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.TransitionStateFails2 (0 ms) [ RUN ] ElementaryStepTest.Reaction unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.Reaction (0 ms) [ RUN ] ElementaryStepTest.ReactionFails1 [ OK ] ElementaryStepTest.ReactionFails1 (0 ms) [ RUN ] ElementaryStepTest.ReactionFails2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.ReactionFails2 (0 ms) [ RUN ] ElementaryStepTest.Spline unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.Spline (0 ms) [ RUN ] ElementaryStepTest.SplineFails1 [ OK ] ElementaryStepTest.SplineFails1 (0 ms) [ RUN ] ElementaryStepTest.SplineFails2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] ElementaryStepTest.SplineFails2 (0 ms) [----------] 18 tests from ElementaryStepTest (1 ms total) [----------] 13 tests from ExceptionsTest [ RUN ] ExceptionsTest.DuplicateIDException_HasWhat [ OK ] ExceptionsTest.DuplicateIDException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingTimestampException_HasWhat [ OK ] ExceptionsTest.MissingTimestampException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingCredentialsException_HasWhat [ OK ] ExceptionsTest.MissingCredentialsException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingLinkedCollectionException_HasWhat [ OK ] ExceptionsTest.MissingLinkedCollectionException_HasWhat (0 ms) [ RUN ] ExceptionsTest.DatabaseDisconnectedException_HasWhat [ OK ] ExceptionsTest.DatabaseDisconnectedException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingCollectionException_HasWhat [ OK ] ExceptionsTest.MissingCollectionException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingIDException_HasWhat [ OK ] ExceptionsTest.MissingIDException_HasWhat (0 ms) [ RUN ] ExceptionsTest.IDNotFoundException_HasWhat [ OK ] ExceptionsTest.IDNotFoundException_HasWhat (0 ms) [ RUN ] ExceptionsTest.UnpopulatedObjectException_HasWhat [ OK ] ExceptionsTest.UnpopulatedObjectException_HasWhat (0 ms) [ RUN ] ExceptionsTest.ObjectTypeMismatchException_HasWhat [ OK ] ExceptionsTest.ObjectTypeMismatchException_HasWhat (0 ms) [ RUN ] ExceptionsTest.MissingIdOrField_HasWhat [ OK ] ExceptionsTest.MissingIdOrField_HasWhat (0 ms) [ RUN ] ExceptionsTest.FieldException_HasWhat [ OK ] ExceptionsTest.FieldException_HasWhat (0 ms) [ RUN ] ExceptionsTest.VersionMismatch_HasWhat [ OK ] ExceptionsTest.VersionMismatch_HasWhat (0 ms) [----------] 13 tests from ExceptionsTest (1 ms total) [----------] 4 tests from NumberPropertyTest unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUpTestSuite(). [ RUN ] NumberPropertyTest.Create1 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] NumberPropertyTest.Create1 (0 ms) [ RUN ] NumberPropertyTest.Create2 unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] NumberPropertyTest.Create2 (0 ms) [ RUN ] NumberPropertyTest.Data unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] NumberPropertyTest.Data (0 ms) [ RUN ] NumberPropertyTest.DataFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in the test body. [ FAILED ] NumberPropertyTest.DataFails (0 ms) unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDownTestSuite(). [----------] 4 tests from NumberPropertyTest (1 ms total) [----------] 15 tests from ManagerTest [ RUN ] ManagerTest.ConnectionRefused_WrongCredentials unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.ConnectionRefused_WrongCredentials (0 ms) [ RUN ] ManagerTest.CredentialGetter_Working unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.CredentialGetter_Working (1 ms) [ RUN ] ManagerTest.DatabaseName_Working unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.DatabaseName_Working (0 ms) [ RUN ] ManagerTest.ConnectionCredentialsInitAndWipe unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.ConnectionCredentialsInitAndWipe (0 ms) [ RUN ] ManagerTest.RemoteWipe unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.RemoteWipe (1 ms) [ RUN ] ManagerTest.ServerTime unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.ServerTime (0 ms) [ RUN ] ManagerTest.Reconnect unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.Reconnect (1 ms) [ RUN ] ManagerTest.GetCollection unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.GetCollection (0 ms) [ RUN ] ManagerTest.CheckVersion unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.CheckVersion (0 ms) [ RUN ] ManagerTest.GetVersion unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.GetVersion (1 ms) [ RUN ] ManagerTest.GetCollectionFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.GetCollectionFails (0 ms) [ RUN ] ManagerTest.ExpectedDBFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.ExpectedDBFails (1 ms) [ RUN ] ManagerTest.HasCollectionFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.HasCollectionFails (0 ms) [ RUN ] ManagerTest.WipeFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.WipeFails (1 ms) [ RUN ] ManagerTest.InitFails unknown file: Failure C++ exception with description "No connection to a database available." thrown in SetUp(). unknown file: Failure C++ exception with description "No connection to a database available." thrown in TearDown(). [ FAILED ] ManagerTest.InitFails (0 ms) [----------] 15 tests from ManagerTest (6 ms total) ... ``` and more of this
mamba list ``` ❯ mamba list -n gcc # packages in environment at /home/abt-grimme/opt/conda/envs/gcc: # # Name Version Build Channel _libgcc_mutex 0.1 conda_forge conda-forge _openmp_mutex 4.5 1_gnu conda-forge binutils 2.36.1 hdd6e379_2 conda-forge binutils_impl_linux-64 2.36.1 h193b22a_2 conda-forge binutils_linux-64 2.36 hf3e587d_4 conda-forge bzip2 1.0.8 h7f98852_4 conda-forge c-ares 1.18.1 h7f98852_0 conda-forge ca-certificates 2022.6.15 ha878542_0 conda-forge clang 13.0.1 ha770c72_0 conda-forge clang-13 13.0.1 default_hc23dcda_0 conda-forge clangxx 13.0.1 default_ha53f305_0 conda-forge cmake 3.23.2 h5432695_0 conda-forge expat 2.4.8 h27087fc_0 conda-forge gcc 11.2.0 h702ea55_2 conda-forge gcc_impl_linux-64 11.2.0 h82a94d6_11 conda-forge gcc_linux-64 11.2.0 h39a9532_4 conda-forge gdb 11.1 py310hba97a52_3 conda-forge gfortran 11.2.0 h8811e0c_2 conda-forge gfortran_impl_linux-64 11.2.0 h7a446d4_11 conda-forge gfortran_linux-64 11.2.0 h777b47f_4 conda-forge gmp 6.2.1 h58526e2_0 conda-forge gxx 11.2.0 h702ea55_2 conda-forge gxx_impl_linux-64 11.2.0 h82a94d6_11 conda-forge gxx_linux-64 11.2.0 hacbe6df_4 conda-forge kernel-headers_linux-64 2.6.32 he073ed8_15 conda-forge keyutils 1.6.1 h166bdaf_0 conda-forge krb5 1.19.3 h08a2579_0 conda-forge ld_impl_linux-64 2.36.1 hea4e1c9_2 conda-forge libclang-cpp13 13.0.1 default_hc23dcda_0 conda-forge libcurl 7.83.1 h2283fc2_0 conda-forge libedit 3.1.20191231 he28a2e2_2 conda-forge libev 4.33 h516909a_1 conda-forge libffi 3.4.2 h7f98852_5 conda-forge libgcc-devel_linux-64 11.2.0 h0952999_11 conda-forge libgcc-ng 12.1.0 h8d9b700_16 conda-forge libgfortran-ng 11.2.0 h69a702a_11 conda-forge libgfortran5 11.2.0 h5c6108e_11 conda-forge libgomp 12.1.0 h8d9b700_16 conda-forge libllvm13 13.0.1 hf817b99_2 conda-forge libnghttp2 1.47.0 he49606f_0 conda-forge libnsl 2.0.0 h7f98852_0 conda-forge libsanitizer 11.2.0 he4da1e4_11 conda-forge libssh2 1.10.0 ha35d2d1_2 conda-forge libstdcxx-devel_linux-64 11.2.0 h0952999_11 conda-forge libstdcxx-ng 12.1.0 ha89aaad_16 conda-forge libuuid 2.32.1 h7f98852_1000 conda-forge libuv 1.43.0 h7f98852_0 conda-forge libzlib 1.2.11 h36c2ea0_1013 conda-forge lz4-c 1.9.3 h9c3ff4c_1 conda-forge mpi 1.0 openmpi conda-forge ncurses 6.3 h27087fc_1 conda-forge ninja 1.11.0 h924138e_0 conda-forge openmpi 4.1.1 hbfc84c5_0 conda-forge openssl 3.0.4 h166bdaf_2 conda-forge pip 22.0.4 pyhd8ed1ab_0 conda-forge pkg-config 0.29.2 h36c2ea0_1008 conda-forge pygments 2.11.2 pyhd8ed1ab_0 conda-forge python 3.10.4 h2660328_0_cpython conda-forge python_abi 3.10 2_cp310 conda-forge readline 8.1 h46c0cb4_0 conda-forge rhash 1.4.3 h166bdaf_0 conda-forge setuptools 62.1.0 py310hff52083_0 conda-forge six 1.16.0 pyh6c4a22f_0 conda-forge sqlite 3.38.2 h4ff8645_0 conda-forge sysroot_linux-64 2.12 he073ed8_15 conda-forge tk 8.6.12 h27826a3_0 conda-forge tzdata 2022a h191b570_0 conda-forge wheel 0.37.1 pyhd8ed1ab_0 conda-forge xz 5.2.5 h516909a_1 conda-forge zlib 1.2.11 h36c2ea0_1013 conda-forge zstd 1.5.2 h8a70e8d_1 conda-forge ❯ mamba list -n scine # packages in environment at /home/abt-grimme/opt/conda/envs/scine: # # Name Version Build Channel _libgcc_mutex 0.1 conda_forge conda-forge _openmp_mutex 4.5 2_kmp_llvm conda-forge boost-cpp 1.74.0 h75c5d50_8 conda-forge bzip2 1.0.8 h7f98852_4 conda-forge ca-certificates 2022.6.15 ha878542_0 conda-forge cyrus-sasl 2.1.27 h7604b24_5 conda-forge eigen 3.4.0 h4bd325d_0 conda-forge icu 70.1 h27087fc_0 conda-forge keyutils 1.6.1 h166bdaf_0 conda-forge krb5 1.19.3 h08a2579_0 conda-forge libblas 3.9.0 15_linux64_openblas conda-forge libbson 1.21.2 h27087fc_0 conda-forge libedit 3.1.20191231 he28a2e2_2 conda-forge libgcc-ng 12.1.0 h8d9b700_16 conda-forge libgfortran-ng 12.1.0 h69a702a_16 conda-forge libgfortran5 12.1.0 hdcd56e2_16 conda-forge libgomp 12.1.0 h8d9b700_16 conda-forge liblapack 3.9.0 15_linux64_openblas conda-forge libmongoc 1.21.2 h0506597_0 conda-forge libmongocxx 3.6.7 h6e2fe03_0 conda-forge libntlm 1.4 h7f98852_1002 conda-forge libopenblas 0.3.20 pthreads_h78a6416_0 conda-forge libstdcxx-ng 12.1.0 ha89aaad_16 conda-forge libzlib 1.2.12 h166bdaf_1 conda-forge llvm-openmp 14.0.4 he0ac6c6_0 conda-forge lz4-c 1.9.3 h9c3ff4c_1 conda-forge mctc-lib 0.3.0 hc3ea6d6_0 conda-forge mkl 2022.1.0 h84fe81f_915 conda-forge nauty 2.7.2 h7f98852_0 conda-forge ncurses 6.3 h27087fc_1 conda-forge openssl 3.0.4 h166bdaf_2 conda-forge scine-core 4.0.1 h6e2fe03_0 conda-forge scine-readuct 4.0.0 he3004b7_0 conda-forge scine-sparrow 3.0.1 he3004b7_1 conda-forge scine-utilsos 5.0.0 h99171d1_0 conda-forge scine-xtb 1.0.1 h886c582_1 conda-forge snappy 1.1.9 hbd366e4_1 conda-forge tbb 2021.5.0 h924138e_1 conda-forge xtb 6.5.0 h9d67668_0 conda-forge xz 5.2.5 h516909a_1 conda-forge yaml-cpp 0.7.0 h27087fc_1 conda-forge zstd 1.5.2 h8a70e8d_2 conda-forge ```
mamba info ``` active environment : scine active env location : /home/abt-grimme/opt/conda/envs/scine shell level : 3 user config file : /home/ehlert/.condarc populated config files : /home/abt-grimme/opt/conda/.condarc /home/ehlert/.condarc conda version : 4.12.0 conda-build version : not installed python version : 3.9.10.final.0 virtual packages : __linux=4.12.14=0 __glibc=2.26=0 __unix=0=0 __archspec=1=x86_64 base environment : /home/abt-grimme/opt/conda (writable) conda av data dir : /home/abt-grimme/opt/conda/etc/conda conda av metadata url : None channel URLs : https://conda.anaconda.org/conda-forge/linux-64 https://conda.anaconda.org/conda-forge/noarch package cache : /home/abt-grimme/opt/conda/pkgs /home/ehlert/.conda/pkgs envs directories : /home/abt-grimme/opt/conda/envs /home/ehlert/.conda/envs platform : linux-64 user-agent : conda/4.12.0 requests/2.27.1 CPython/3.9.10 Linux/4.12.14-lp151.28.13-default opensuse-leap/15.1 glibc/2.26 UID:GID : 1748:1001 netrc file : None offline mode : False ```
weymutht commented 2 years ago

Do you have a MongoDB running? This is necessary for several of the tests.

awvwgk commented 2 years ago

Probably not, would be nice if CMake could just spawn it for the tests. Just noticed the line in the README:

Note that the tests, by default, require a MongoDB to be running on the local host

Any example on how to set it up to get the tests passing? I could look it up myself, but I already spend too many hours on trying to build the scine stack and want to safe myself some time.

weymutht commented 2 years ago

Just download the DB binary and run it with default settings. That should work.

awvwgk commented 2 years ago

Seems to work with this steps.

❯ mamba install mongodb
❯ nohup mongod --dbpath $PWD/_database &
❯ ctest --test-dir _build --output-on-failure
Internal ctest changing into directory: /tmp1/ehlert/scine/database/_build
Test project /tmp1/ehlert/scine/database/_build
    Start 1: Database
1/1 Test #1: Database .........................   Passed   59.42 sec

100% tests passed, 0 tests failed out of 1

Total Test time (real) =  59.43 sec
❯ killall mongod

Thanks, only five projects left to build.