StartDate: 2025-12-07 06:04:02+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: fd1133a1d752a42d11dc7a87656b773279a69479 CommitTime: 2025-12-06 15:14:52 +0100 CommitAuthor: Jan Wilhelm CommitSubject: Sligt improvements of comments in gw_small_cell_full_kp.F #################### Building Image cp2k-aiida #################### Dockerfile: /tools/docker/Dockerfile.test_aiida Build-Path: / Build-Args: GIT_COMMIT_SHA=fd1133a1d752a42d11dc7a87656b773279a69479 SPACK_CACHE=gs://cp2k-spack-cache Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 408.1MB Step 1/43 : FROM ubuntu:24.04 24.04: Pulling from library/ubuntu 20043066d3d5: Pulling fs layer 20043066d3d5: Verifying Checksum 20043066d3d5: Download complete 20043066d3d5: Pull complete Digest: sha256:c35e29c9450151419d9448b0fd75374fec4fff364a27f176fb458d472dfc9e54 Status: Downloaded newer image for ubuntu:24.04 ---> c3a134f2ace4 Step 2/43 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 0b31b6ae1e95 Step 3/43 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 5b2226013a1e Step 4/43 : RUN ./install_requirements.sh ubuntu:24.04 ---> Using cache ---> 7f5759d76167 Step 5/43 : RUN mkdir scripts ---> Using cache ---> 1ae308ef7b98 Step 6/43 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./scripts/ ---> Using cache ---> f9ca6c0ba5ba Step 7/43 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> 443be9757d53 Step 8/43 : RUN ./install_cp2k_toolchain.sh --install-all --mpi-mode=no --with-dbcsr --with-gcc=system --with-tblite=no --dry-run ---> Using cache ---> 2ef52b7fb3ee Step 9/43 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> a0e84332be6c Step 10/43 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> 3ac4936e82c7 Step 11/43 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> Using cache ---> c769e7af5783 Step 12/43 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Using cache ---> 83be5a8041a7 Step 13/43 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> Using cache ---> fafe9d550d22 Step 14/43 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Using cache ---> 83e5c373042e Step 15/43 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> Using cache ---> e5eae547e6b4 Step 16/43 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Using cache ---> 266e7a0f6c58 Step 17/43 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> Using cache ---> e4c885805c92 Step 18/43 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Using cache ---> 2c65f888142e Step 19/43 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> Using cache ---> 5e0c318a1db7 Step 20/43 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Using cache ---> 1fc3f524ef4d Step 21/43 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> Using cache ---> 6ae3cac62dc2 Step 22/43 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Using cache ---> 721b36cd49d1 Step 23/43 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> Using cache ---> 078827ac46d5 Step 24/43 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Using cache ---> 48480a983ef8 Step 25/43 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> Using cache ---> f24b497f8be6 Step 26/43 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Using cache ---> 5b627a9b2b32 Step 27/43 : COPY ./tools/toolchain/scripts/stage9/ ./scripts/stage9/ ---> Using cache ---> ef6ecb8a4b45 Step 28/43 : RUN ./scripts/stage9/install_stage9.sh && rm -rf ./build ---> Using cache ---> d0a93193deb1 Step 29/43 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> Using cache ---> 87657812f671 Step 30/43 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Using cache ---> 89020f58bef8 Step 31/43 : WORKDIR /opt/cp2k ---> Using cache ---> 602fd9617749 Step 32/43 : COPY ./src ./src ---> Using cache ---> 42059650ffb8 Step 33/43 : COPY ./data ./data ---> Using cache ---> 5f8f9faf89d8 Step 34/43 : COPY ./tests ./tests ---> Using cache ---> 8e21d0a4b019 Step 35/43 : COPY ./tools/build_utils ./tools/build_utils ---> Using cache ---> d188f3c89366 Step 36/43 : COPY ./cmake ./cmake ---> Using cache ---> f224d86b7485 Step 37/43 : COPY ./CMakeLists.txt . ---> Using cache ---> a1941757e7c0 Step 38/43 : COPY ./tools/docker/scripts/build_cp2k_cmake.sh . ---> Using cache ---> c516c5d4c2fc Step 39/43 : RUN ./build_cp2k_cmake.sh toolchain ssmp ---> Running in 8066cae28312 ==================== Building CP2K ==================== -- The Fortran compiler identification is GNU 13.3.0 -- The C compiler identification is GNU 13.3.0 -- The CXX compiler identification is GNU 13.3.0 -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /usr/bin/gfortran - skipped -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/gcc - 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: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Found Python: /usr/bin/python3.12 (found version "3.12.3") found components: Interpreter -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Checking for module 'mpi-c' -- Package 'mpi-c', required by 'virtual:world', not found -- Could NOT find MPI_C (missing: MPI_C_LIB_NAMES MPI_C_HEADER_DIR MPI_C_WORKS) -- Checking for module 'mpi-cxx' -- Package 'mpi-cxx', required by 'virtual:world', not found -- Could NOT find MPI_CXX (missing: MPI_CXX_LIB_NAMES MPI_CXX_HEADER_DIR MPI_CXX_WORKS) -- Checking for module 'mpi-fort' -- Package 'mpi-fort', required by 'virtual:world', not found -- Could NOT find MPI_Fortran (missing: MPI_Fortran_LIB_NAMES MPI_Fortran_F77_HEADER_DIR MPI_Fortran_MODULE_DIR MPI_Fortran_WORKS) -- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND MPI_Fortran_FOUND CXX C Fortran) -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX C Fortran -- Could NOT find MKL (missing: CP2K_MKL_INCLUDE_DIRS) -- Checking for module 'openblas' -- Found openblas, version 0.3.30 -- Found OpenBLAS: /opt/cp2k-toolchain/install/openblas-0.3.30/include -- Found Blas: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so -- Found Lapack: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so -- Checking for module 'libxsmm-shared' -- Found libxsmm-shared, version 1.17.0 -- Checking for module 'libxsmmf-shared' -- Found libxsmmf-shared, version 1.17.0 -- Checking for module 'libxsmmext-shared' -- Found libxsmmext-shared, version 1.17.0 -- Checking for module 'libxsmmnoblas-shared' -- Found libxsmmnoblas-shared, version 1.17.0 -- Found LibXSMM: /opt/cp2k-toolchain/install/libxsmm-e0c4a2389afba36c453233ad7de07bd92c715bec/include -- Using LIBXSMM for Small Matrix Multiplication ------------------------------------------------------------ - OPENMP - ------------------------------------------------------------ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: Fortran C CXX ------------------------------------------------------------ - DBCSR - ------------------------------------------------------------ -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") ------------------------------------------------------------ - Other dependencies - ------------------------------------------------------------ -- Found HDF5: hdf5-shared;hdf5_fortran-shared (found version "1.14.6") found components: C Fortran -- Found LibVORI: /opt/cp2k-toolchain/install/libvori-220621/lib/libvori.a -- Checking for one of the modules 'fftw3' -- Checking for one of the modules 'fftw3f' -- Checking for one of the modules 'fftw3l' -- Checking for one of the modules 'fftw3q' -- Found Fftw: /opt/cp2k-toolchain/install/fftw-3.3.10/include -- Checking for module 'libint2' -- Found libint2, version 2.6.0 -- Found Libint2: /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include;/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include/libint2 -- Component omp of Spglib: NOT FOUND -- Component fortran of Spglib: FOUND (LIB_TYPE: static) -- Found package: Spglib -- Looking for Fortran sgemm -- Looking for Fortran sgemm - not found -- Looking for Fortran sgemm -- Looking for Fortran sgemm - found -- Found BLAS: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so -- mctc-lib: Find installed package -- multicharge: Find installed package -- Looking for Fortran cheev -- Looking for Fortran cheev - found -- Found LAPACK: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so;-lm;-ldl -- Found ACE: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/include -- Found ACE: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libpace.a -- Found ACE: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libyaml-cpp-pace.a -- Found ACE: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libcnpy.a -- Checking for module 'mpi-c' -- Package 'mpi-c', required by 'virtual:world', not found -- Could NOT find MPI_C (missing: MPI_C_LIB_NAMES MPI_C_HEADER_DIR MPI_C_WORKS) -- Checking for module 'mpi-cxx' -- Package 'mpi-cxx', required by 'virtual:world', not found -- Could NOT find MPI_CXX (missing: MPI_CXX_LIB_NAMES MPI_CXX_HEADER_DIR MPI_CXX_WORKS) -- Checking for module 'mpi-fort' -- Package 'mpi-fort', required by 'virtual:world', not found -- Could NOT find MPI_Fortran (missing: MPI_Fortran_LIB_NAMES MPI_Fortran_F77_HEADER_DIR MPI_Fortran_MODULE_DIR MPI_Fortran_WORKS) -- Could NOT find MPI (missing: MPI_C_FOUND MPI_CXX_FOUND MPI_Fortran_FOUND CXX C Fortran) -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX C Fortran -- Found Torch: /opt/cp2k-toolchain/install/libtorch-2.7.1/lib/libtorch.so -- Torch setting CMAKE_CXX_STANDARD to 17 -- Checking for module 'trexio' -- Found trexio, version 2.5.0 -- Found TrexIO: /opt/cp2k-toolchain/install/trexio-2.5.0/include;/opt/cp2k-toolchain/install/hdf5-1.14.6/include -- Setting build type to 'Release' as none was specified. -- Performing Test f2008-norm2 -- Performing Test f2008-norm2 - Success -- Performing Test f2008-block_construct -- Performing Test f2008-block_construct - Success -- Performing Test f2008-contiguous -- Performing Test f2008-contiguous - Success -- Performing Test f95-reshape-order-allocatable -- Performing Test f95-reshape-order-allocatable - Success -- FYPP preprocessor found. -------------------------------------------------------------------- - - - Summary of enabled dependencies - - - -------------------------------------------------------------------- - BLAS - vendor: OpenBLAS - include directories: /opt/cp2k-toolchain/install/openblas-0.3.30/include - libraries: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so - LAPACK - include directories: /opt/cp2k-toolchain/install/openblas-0.3.30/include - libraries: /opt/cp2k-toolchain/install/openblas-0.3.30/lib/libopenblas.so - LibXC - version: 7.0.0 - include directories: /opt/cp2k-toolchain/install/libxc-7.0.0/include/ - libraries: /opt/cp2k-toolchain/install/libxc-7.0.0/lib/libxcf03.a;/opt/cp2k-toolchain/install/libxc-7.0.0/lib/libxc.a - Spglib - include directories: /opt/cp2k-toolchain/install/spglib-2.5.0/include - LibTorch - extra CXX flags: -D_GLIBCXX_USE_CXX11_ABI=1 - include directories: /opt/cp2k-toolchain/install/libtorch-2.7.1/include;/opt/cp2k-toolchain/install/libtorch-2.7.1/include/torch/csrc/api/include - libraries: /opt/cp2k-toolchain/install/libtorch-2.7.1/lib/libtorch.so - HDF5 - version: 1.14.6 - include directories: /opt/cp2k-toolchain/install/hdf5-1.14.6/include - libraries: hdf5-shared;hdf5_fortran-shared - FFTW3 - include directories: /opt/cp2k-toolchain/install/fftw-3.3.10/include - libraries: /opt/cp2k-toolchain/install/fftw-3.3.10/lib/libfftw3.a - LIBXSMM - include directories: /opt/cp2k-toolchain/install/libxsmm-e0c4a2389afba36c453233ad7de07bd92c715bec/include - libraries: /opt/cp2k-toolchain/install/libxsmm-e0c4a2389afba36c453233ad7de07bd92c715bec/lib/libxsmmext.so;:libxsmm.a;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/librt.a;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libc.so;/opt/cp2k-toolchain/install/libxsmm-e0c4a2389afba36c453233ad7de07bd92c715bec/lib/libxsmmf.so;:libxsmmext.a;:libxsmm.a;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/librt.a;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so;/usr/lib/x86_64-linux-gnu/libc.so - DFTD4 - include directories : /opt/cp2k-toolchain/install/dftd4-3.7.0/include;/opt/cp2k-toolchain/install/dftd4-3.7.0/include/dftd4/GNU-13.3.0 - libraries : - DeePMD - ACE - include directories: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/include - libraries: /opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libpace.a;/opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libyaml-cpp-pace.a;/opt/cp2k-toolchain/install/lammps-user-pace-v.2023.11.25.fix2/lib/libcnpy.a - Libint2 - include directories: /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include;/opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/include/libint2 - libraries: /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5/lib/libint2.a - Libvori - libraries: /opt/cp2k-toolchain/install/libvori-220621/lib/libvori.a - GRPP - TREXIO - include directories: /opt/cp2k-toolchain/install/trexio-2.5.0/include;/opt/cp2k-toolchain/install/hdf5-1.14.6/include - libraries: /opt/cp2k-toolchain/install/trexio-2.5.0/lib/libtrexio.so;/opt/cp2k-toolchain/install/hdf5-1.14.6/lib/libhdf5.so - GreenX - include directories: /opt/cp2k-toolchain/install/greenX-2.2/include/modules - libraries: /opt/cp2k-toolchain/install/greenX-2.2/lib/libGXCommon.so.0.0.1;/opt/cp2k-toolchain/install/greenX-2.2/lib/libgx_minimax.so.0.0.1;/opt/cp2k-toolchain/install/greenX-2.2/lib/libgx_ac.so.0.0.1 -------------------------------------------------------------------- - - - List of dependencies not included in this build - - - -------------------------------------------------------------------- - MPI - PEXSI - TBLITE - SIRIUS - LibSMEAGOL - COSMA - SpLA - GPU acceleration is disabled - ELPA - DLA-Future - PLUMED To run the regtests you need to run the following commands cd .. export CP2K_DATA_DIR=/opt/cp2k/data/ ./tests/do_regtest.py /opt/cp2k/build/bin ssmp -- Configuring done (4.7s) -- Generating done (0.3s) -- Build files have been written to: /opt/cp2k/build Compiling CP2K ... done ---> Removed intermediate container 8066cae28312 ---> f8f84f45e653 Step 40/43 : COPY ./tools/docker/scripts/test_aiida.sh ./ ---> 2012059bbb13 Step 41/43 : RUN ./test_aiida.sh 2>&1 | tee report.log ---> Running in 9407df3d50df ========== Installing Dependencies ========== debconf: delaying package configuration, since apt-utils is not installed (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 15455 files and directories currently installed.) Preparing to unpack .../00-python3.12-dev_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking python3.12-dev (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../01-libpython3.12-dev_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking libpython3.12-dev:amd64 (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../02-libpython3.12t64_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking libpython3.12t64:amd64 (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../03-python3.12_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking python3.12 (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../04-libpython3.12-stdlib_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../05-python3.12-minimal_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking python3.12-minimal (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Preparing to unpack .../06-libpython3.12-minimal_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.3-1ubuntu0.9) over (3.12.3-1ubuntu0.8) ... Selecting previously unselected package libapparmor1:amd64. Preparing to unpack .../07-libapparmor1_4.0.1really4.0.1-0ubuntu0.24.04.4_amd64.deb ... Unpacking libapparmor1:amd64 (4.0.1really4.0.1-0ubuntu0.24.04.4) ... Selecting previously unselected package libargon2-1:amd64. Preparing to unpack .../08-libargon2-1_0~20190702+dfsg-4build1_amd64.deb ... Unpacking libargon2-1:amd64 (0~20190702+dfsg-4build1) ... Selecting previously unselected package libdevmapper1.02.1:amd64. Preparing to unpack .../09-libdevmapper1.02.1_2%3a1.02.185-3ubuntu3.2_amd64.deb ... Unpacking libdevmapper1.02.1:amd64 (2:1.02.185-3ubuntu3.2) ... Selecting previously unselected package libjson-c5:amd64. Preparing to unpack .../10-libjson-c5_0.17-1build1_amd64.deb ... Unpacking libjson-c5:amd64 (0.17-1build1) ... Selecting previously unselected package libcryptsetup12:amd64. Preparing to unpack .../11-libcryptsetup12_2%3a2.7.0-1ubuntu4.2_amd64.deb ... Unpacking libcryptsetup12:amd64 (2:2.7.0-1ubuntu4.2) ... Selecting previously unselected package libfdisk1:amd64. Preparing to unpack .../12-libfdisk1_2.39.3-9ubuntu6.3_amd64.deb ... Unpacking libfdisk1:amd64 (2.39.3-9ubuntu6.3) ... Selecting previously unselected package libkmod2:amd64. Preparing to unpack .../13-libkmod2_31+20240202-2ubuntu7.1_amd64.deb ... Unpacking libkmod2:amd64 (31+20240202-2ubuntu7.1) ... Selecting previously unselected package libsystemd-shared:amd64. Preparing to unpack .../14-libsystemd-shared_255.4-1ubuntu8.11_amd64.deb ... Unpacking libsystemd-shared:amd64 (255.4-1ubuntu8.11) ... Selecting previously unselected package systemd-dev. Preparing to unpack .../15-systemd-dev_255.4-1ubuntu8.11_all.deb ... Unpacking systemd-dev (255.4-1ubuntu8.11) ... Selecting previously unselected package systemd. Preparing to unpack .../16-systemd_255.4-1ubuntu8.11_amd64.deb ... Unpacking systemd (255.4-1ubuntu8.11) ... Selecting previously unselected package adduser. Preparing to unpack .../17-adduser_3.137ubuntu1_all.deb ... Unpacking adduser (3.137ubuntu1) ... Setting up adduser (3.137ubuntu1) ... Selecting previously unselected package cron-daemon-common. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 16529 files and directories currently installed.) Preparing to unpack .../cron-daemon-common_3.0pl1-184ubuntu2_all.deb ... Unpacking cron-daemon-common (3.0pl1-184ubuntu2) ... Setting up libapparmor1:amd64 (4.0.1really4.0.1-0ubuntu0.24.04.4) ... Setting up libargon2-1:amd64 (0~20190702+dfsg-4build1) ... Setting up libdevmapper1.02.1:amd64 (2:1.02.185-3ubuntu3.2) ... Setting up libjson-c5:amd64 (0.17-1build1) ... Setting up libcryptsetup12:amd64 (2:2.7.0-1ubuntu4.2) ... Setting up libfdisk1:amd64 (2.39.3-9ubuntu6.3) ... Setting up libkmod2:amd64 (31+20240202-2ubuntu7.1) ... Setting up libsystemd-shared:amd64 (255.4-1ubuntu8.11) ... Setting up systemd-dev (255.4-1ubuntu8.11) ... Setting up systemd (255.4-1ubuntu8.11) ... Created symlink /etc/systemd/system/getty.target.wants/getty@tty1.service → /usr/lib/systemd/system/getty@.service. Created symlink /etc/systemd/system/multi-user.target.wants/remote-fs.target → /usr/lib/systemd/system/remote-fs.target. Created symlink /etc/systemd/system/sysinit.target.wants/systemd-pstore.service → /usr/lib/systemd/system/systemd-pstore.service. Initializing machine ID from random generator. /usr/lib/tmpfiles.d/cron-daemon-common.conf:1: Failed to resolve group 'crontab': No such process /usr/lib/tmpfiles.d/systemd-network.conf:10: Failed to resolve user 'systemd-network': No such process /usr/lib/tmpfiles.d/systemd-network.conf:11: Failed to resolve user 'systemd-network': No such process /usr/lib/tmpfiles.d/systemd-network.conf:12: Failed to resolve user 'systemd-network': No such process /usr/lib/tmpfiles.d/systemd-network.conf:13: Failed to resolve user 'systemd-network': No such process /usr/lib/tmpfiles.d/systemd.conf:22: Failed to resolve group 'systemd-journal': No such process /usr/lib/tmpfiles.d/systemd.conf:23: Failed to resolve group 'systemd-journal': No such process /usr/lib/tmpfiles.d/systemd.conf:28: Failed to resolve group 'systemd-journal': No such process /usr/lib/tmpfiles.d/systemd.conf:29: Failed to resolve group 'systemd-journal': No such process /usr/lib/tmpfiles.d/systemd.conf:30: Failed to resolve group 'systemd-journal': No such process Creating group 'systemd-journal' with GID 999. Creating group 'systemd-network' with GID 998. Creating user 'systemd-network' (systemd Network Management) with UID 998 and GID 998. Setting up cron-daemon-common (3.0pl1-184ubuntu2) ... Creating group 'crontab' with GID 997. Selecting previously unselected package cron. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 16548 files and directories currently installed.) Preparing to unpack .../00-cron_3.0pl1-184ubuntu2_amd64.deb ... Unpacking cron (3.0pl1-184ubuntu2) ... Selecting previously unselected package libbsd0:amd64. Preparing to unpack .../01-libbsd0_0.12.1-1build1.1_amd64.deb ... Unpacking libbsd0:amd64 (0.12.1-1build1.1) ... Selecting previously unselected package libedit2:amd64. Preparing to unpack .../02-libedit2_3.1-20230828-1build1_amd64.deb ... Unpacking libedit2:amd64 (3.1-20230828-1build1) ... Selecting previously unselected package libcbor0.10:amd64. Preparing to unpack .../03-libcbor0.10_0.10.2-1.2ubuntu2_amd64.deb ... Unpacking libcbor0.10:amd64 (0.10.2-1.2ubuntu2) ... Selecting previously unselected package libfido2-1:amd64. Preparing to unpack .../04-libfido2-1_1.14.0-1build3_amd64.deb ... Unpacking libfido2-1:amd64 (1.14.0-1build3) ... Selecting previously unselected package openssh-client. Preparing to unpack .../05-openssh-client_1%3a9.6p1-3ubuntu13.14_amd64.deb ... Unpacking openssh-client (1:9.6p1-3ubuntu13.14) ... Selecting previously unselected package openssh-sftp-server. Preparing to unpack .../06-openssh-sftp-server_1%3a9.6p1-3ubuntu13.14_amd64.deb ... Unpacking openssh-sftp-server (1:9.6p1-3ubuntu13.14) ... Selecting previously unselected package ucf. Preparing to unpack .../07-ucf_3.0043+nmu1_all.deb ... Moving old data out of the way Unpacking ucf (3.0043+nmu1) ... Selecting previously unselected package libwrap0:amd64. Preparing to unpack .../08-libwrap0_7.6.q-33_amd64.deb ... Unpacking libwrap0:amd64 (7.6.q-33) ... Selecting previously unselected package openssh-server. Preparing to unpack .../09-openssh-server_1%3a9.6p1-3ubuntu13.14_amd64.deb ... Unpacking openssh-server (1:9.6p1-3ubuntu13.14) ... Selecting previously unselected package libjson-perl. Preparing to unpack .../10-libjson-perl_4.10000-1_all.deb ... Unpacking libjson-perl (4.10000-1) ... Selecting previously unselected package postgresql-client-common. Preparing to unpack .../11-postgresql-client-common_257build1.1_all.deb ... Unpacking postgresql-client-common (257build1.1) ... Selecting previously unselected package ssl-cert. Preparing to unpack .../12-ssl-cert_1.1.2ubuntu1_all.deb ... Unpacking ssl-cert (1.1.2ubuntu1) ... Selecting previously unselected package postgresql-common. Preparing to unpack .../13-postgresql-common_257build1.1_all.deb ... Adding 'diversion of /usr/bin/pg_config to /usr/bin/pg_config.libpq-dev by postgresql-common' Unpacking postgresql-common (257build1.1) ... Selecting previously unselected package libelf1t64:amd64. Preparing to unpack .../14-libelf1t64_0.190-1.1ubuntu0.1_amd64.deb ... Unpacking libelf1t64:amd64 (0.190-1.1ubuntu0.1) ... Selecting previously unselected package libpopt0:amd64. Preparing to unpack .../15-libpopt0_1.19+dfsg-1build1_amd64.deb ... Unpacking libpopt0:amd64 (1.19+dfsg-1build1) ... Selecting previously unselected package locales. Preparing to unpack .../16-locales_2.39-0ubuntu8.6_all.deb ... Unpacking locales (2.39-0ubuntu8.6) ... Selecting previously unselected package logrotate. Preparing to unpack .../17-logrotate_3.21.0-2build1_amd64.deb ... Unpacking logrotate (3.21.0-2build1) ... Selecting previously unselected package sudo. Preparing to unpack .../18-sudo_1.9.15p5-3ubuntu5.24.04.1_amd64.deb ... Unpacking sudo (1.9.15p5-3ubuntu5.24.04.1) ... Selecting previously unselected package libnl-3-200:amd64. Preparing to unpack .../19-libnl-3-200_3.7.0-0.3build1.1_amd64.deb ... Unpacking libnl-3-200:amd64 (3.7.0-0.3build1.1) ... Selecting previously unselected package libnl-route-3-200:amd64. Preparing to unpack .../20-libnl-route-3-200_3.7.0-0.3build1.1_amd64.deb ... Unpacking libnl-route-3-200:amd64 (3.7.0-0.3build1.1) ... Selecting previously unselected package libibverbs1:amd64. Preparing to unpack .../21-libibverbs1_50.0-2ubuntu0.2_amd64.deb ... Unpacking libibverbs1:amd64 (50.0-2ubuntu0.2) ... Selecting previously unselected package ibverbs-providers:amd64. Preparing to unpack .../22-ibverbs-providers_50.0-2ubuntu0.2_amd64.deb ... Unpacking ibverbs-providers:amd64 (50.0-2ubuntu0.2) ... Selecting previously unselected package libdrm-common. Preparing to unpack .../23-libdrm-common_2.4.122-1~ubuntu0.24.04.2_all.deb ... Unpacking libdrm-common (2.4.122-1~ubuntu0.24.04.2) ... Selecting previously unselected package libdrm2:amd64. Preparing to unpack .../24-libdrm2_2.4.122-1~ubuntu0.24.04.2_amd64.deb ... Unpacking libdrm2:amd64 (2.4.122-1~ubuntu0.24.04.2) ... Selecting previously unselected package libnuma1:amd64. Preparing to unpack .../25-libnuma1_2.0.18-1build1_amd64.deb ... Unpacking libnuma1:amd64 (2.0.18-1build1) ... Selecting previously unselected package libxau6:amd64. Preparing to unpack .../26-libxau6_1%3a1.0.9-1build6_amd64.deb ... Unpacking libxau6:amd64 (1:1.0.9-1build6) ... Selecting previously unselected package libxdmcp6:amd64. Preparing to unpack .../27-libxdmcp6_1%3a1.1.3-0ubuntu6_amd64.deb ... Unpacking libxdmcp6:amd64 (1:1.1.3-0ubuntu6) ... Selecting previously unselected package libxcb1:amd64. Preparing to unpack .../28-libxcb1_1.15-1ubuntu2_amd64.deb ... Unpacking libxcb1:amd64 (1.15-1ubuntu2) ... Selecting previously unselected package libx11-data. Preparing to unpack .../29-libx11-data_2%3a1.8.7-1build1_all.deb ... Unpacking libx11-data (2:1.8.7-1build1) ... Selecting previously unselected package libx11-6:amd64. Preparing to unpack .../30-libx11-6_2%3a1.8.7-1build1_amd64.deb ... Unpacking libx11-6:amd64 (2:1.8.7-1build1) ... Selecting previously unselected package libxext6:amd64. Preparing to unpack .../31-libxext6_2%3a1.3.4-1build2_amd64.deb ... Unpacking libxext6:amd64 (2:1.3.4-1build2) ... Selecting previously unselected package erlang-base. Preparing to unpack .../32-erlang-base_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-base (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-asn1. Preparing to unpack .../33-erlang-asn1_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-asn1 (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-crypto. Preparing to unpack .../34-erlang-crypto_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-crypto (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-public-key. Preparing to unpack .../35-erlang-public-key_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-public-key (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-mnesia. Preparing to unpack .../36-erlang-mnesia_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-mnesia (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-runtime-tools. Preparing to unpack .../37-erlang-runtime-tools_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-runtime-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-ssl. Preparing to unpack .../38-erlang-ssl_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-ssl (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-eldap. Preparing to unpack .../39-erlang-eldap_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-eldap (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-ftp. Preparing to unpack .../40-erlang-ftp_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-ftp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-tftp. Preparing to unpack .../41-erlang-tftp_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-tftp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-inets. Preparing to unpack .../42-erlang-inets_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-inets (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-snmp. Preparing to unpack .../43-erlang-snmp_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-snmp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-os-mon. Preparing to unpack .../44-erlang-os-mon_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-os-mon (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-parsetools. Preparing to unpack .../45-erlang-parsetools_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-parsetools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-syntax-tools. Preparing to unpack .../46-erlang-syntax-tools_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-syntax-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-tools. Preparing to unpack .../47-erlang-tools_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package erlang-xmerl. Preparing to unpack .../48-erlang-xmerl_1%3a25.3.2.8+dfsg-1ubuntu4.5_amd64.deb ... Unpacking erlang-xmerl (1:25.3.2.8+dfsg-1ubuntu4.5) ... Selecting previously unselected package libllvm17t64:amd64. Preparing to unpack .../49-libllvm17t64_1%3a17.0.6-9ubuntu1_amd64.deb ... Unpacking libllvm17t64:amd64 (1:17.0.6-9ubuntu1) ... Selecting previously unselected package libamd-comgr2:amd64. Preparing to unpack .../50-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_amd64.deb ... Unpacking libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... Selecting previously unselected package libdrm-amdgpu1:amd64. Preparing to unpack .../51-libdrm-amdgpu1_2.4.122-1~ubuntu0.24.04.2_amd64.deb ... Unpacking libdrm-amdgpu1:amd64 (2.4.122-1~ubuntu0.24.04.2) ... Selecting previously unselected package libhsakmt1:amd64. Preparing to unpack .../52-libhsakmt1_5.7.0-1build1_amd64.deb ... Unpacking libhsakmt1:amd64 (5.7.0-1build1) ... Selecting previously unselected package libhsa-runtime64-1. Preparing to unpack .../53-libhsa-runtime64-1_5.7.1-2build1_amd64.deb ... Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... Selecting previously unselected package libamdhip64-5. Preparing to unpack .../54-libamdhip64-5_5.7.1-3_amd64.deb ... Unpacking libamdhip64-5 (5.7.1-3) ... Selecting previously unselected package libevent-core-2.1-7t64:amd64. Preparing to unpack .../55-libevent-core-2.1-7t64_2.1.12-stable-9ubuntu2_amd64.deb ... Unpacking libevent-core-2.1-7t64:amd64 (2.1.12-stable-9ubuntu2) ... Selecting previously unselected package libevent-pthreads-2.1-7t64:amd64. Preparing to unpack .../56-libevent-pthreads-2.1-7t64_2.1.12-stable-9ubuntu2_amd64.deb ... Unpacking libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-9ubuntu2) ... Selecting previously unselected package libhwloc15:amd64. Preparing to unpack .../57-libhwloc15_2.10.0-1build1_amd64.deb ... Unpacking libhwloc15:amd64 (2.10.0-1build1) ... Selecting previously unselected package libpciaccess0:amd64. Preparing to unpack .../58-libpciaccess0_0.17-3ubuntu0.24.04.2_amd64.deb ... Unpacking libpciaccess0:amd64 (0.17-3ubuntu0.24.04.2) ... Selecting previously unselected package libmunge2:amd64. Preparing to unpack .../59-libmunge2_0.5.15-4build1_amd64.deb ... Unpacking libmunge2:amd64 (0.5.15-4build1) ... Selecting previously unselected package libxnvctrl0:amd64. Preparing to unpack .../60-libxnvctrl0_510.47.03-0ubuntu4_amd64.deb ... Unpacking libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... Selecting previously unselected package ocl-icd-libopencl1:amd64. Preparing to unpack .../61-ocl-icd-libopencl1_2.3.2-1build1_amd64.deb ... Unpacking ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... Selecting previously unselected package libhwloc-plugins:amd64. Preparing to unpack .../62-libhwloc-plugins_2.10.0-1build1_amd64.deb ... Unpacking libhwloc-plugins:amd64 (2.10.0-1build1) ... Selecting previously unselected package libpmix2t64:amd64. Preparing to unpack .../63-libpmix2t64_5.0.1-4.1build1_amd64.deb ... Unpacking libpmix2t64:amd64 (5.0.1-4.1build1) ... Selecting previously unselected package libpq5:amd64. Preparing to unpack .../64-libpq5_16.11-0ubuntu0.24.04.1_amd64.deb ... Unpacking libpq5:amd64 (16.11-0ubuntu0.24.04.1) ... Selecting previously unselected package libssl-dev:amd64. Preparing to unpack .../65-libssl-dev_3.0.13-0ubuntu3.6_amd64.deb ... Unpacking libssl-dev:amd64 (3.0.13-0ubuntu3.6) ... Selecting previously unselected package libpq-dev. Preparing to unpack .../66-libpq-dev_16.11-0ubuntu0.24.04.1_amd64.deb ... Unpacking libpq-dev (16.11-0ubuntu0.24.04.1) ... Selecting previously unselected package librdmacm1t64:amd64. Preparing to unpack .../67-librdmacm1t64_50.0-2ubuntu0.2_amd64.deb ... Unpacking librdmacm1t64:amd64 (50.0-2ubuntu0.2) ... Selecting previously unselected package libslurm40t64. Preparing to unpack .../68-libslurm40t64_23.11.4-1.2ubuntu5_amd64.deb ... Unpacking libslurm40t64 (23.11.4-1.2ubuntu5) ... Selecting previously unselected package libucx0:amd64. Preparing to unpack .../69-libucx0_1.16.0+ds-5ubuntu1_amd64.deb ... Unpacking libucx0:amd64 (1.16.0+ds-5ubuntu1) ... Selecting previously unselected package liburing2:amd64. Preparing to unpack .../70-liburing2_2.5-1build1_amd64.deb ... Unpacking liburing2:amd64 (2.5-1build1) ... Selecting previously unselected package libxslt1.1:amd64. Preparing to unpack .../71-libxslt1.1_1.1.39-0exp1ubuntu0.24.04.2_amd64.deb ... Unpacking libxslt1.1:amd64 (1.1.39-0exp1ubuntu0.24.04.2) ... Selecting previously unselected package plocate. Preparing to unpack .../72-plocate_1.1.19-2ubuntu2_amd64.deb ... Unpacking plocate (1.1.19-2ubuntu2) ... Selecting previously unselected package postgresql-client-16. Preparing to unpack .../73-postgresql-client-16_16.11-0ubuntu0.24.04.1_amd64.deb ... Unpacking postgresql-client-16 (16.11-0ubuntu0.24.04.1) ... Selecting previously unselected package postgresql-16. Preparing to unpack .../74-postgresql-16_16.11-0ubuntu0.24.04.1_amd64.deb ... Unpacking postgresql-16 (16.11-0ubuntu0.24.04.1) ... Selecting previously unselected package postgresql. Preparing to unpack .../75-postgresql_16+257build1.1_all.deb ... Unpacking postgresql (16+257build1.1) ... Selecting previously unselected package python3-colorama. Preparing to unpack .../76-python3-colorama_0.4.6-4_all.deb ... Unpacking python3-colorama (0.4.6-4) ... Selecting previously unselected package python3-click. Preparing to unpack .../77-python3-click_8.1.6-2_all.deb ... Unpacking python3-click (8.1.6-2) ... Selecting previously unselected package python3-pip-whl. Preparing to unpack .../78-python3-pip-whl_24.0+dfsg-1ubuntu1.3_all.deb ... Unpacking python3-pip-whl (24.0+dfsg-1ubuntu1.3) ... Selecting previously unselected package python3-six. Preparing to unpack .../79-python3-six_1.16.0-4_all.deb ... Unpacking python3-six (1.16.0-4) ... Selecting previously unselected package python3-reentry. Preparing to unpack .../80-python3-reentry_1.3.2-1_all.deb ... Unpacking python3-reentry (1.3.2-1) ... Selecting previously unselected package python3-setuptools-whl. Preparing to unpack .../81-python3-setuptools-whl_68.1.2-2ubuntu1.2_all.deb ... Unpacking python3-setuptools-whl (68.1.2-2ubuntu1.2) ... Selecting previously unselected package python3.12-venv. Preparing to unpack .../82-python3.12-venv_3.12.3-1ubuntu0.9_amd64.deb ... Unpacking python3.12-venv (3.12.3-1ubuntu0.9) ... Selecting previously unselected package python3-venv. Preparing to unpack .../83-python3-venv_3.12.3-0ubuntu2.1_amd64.deb ... Unpacking python3-venv (3.12.3-0ubuntu2.1) ... Selecting previously unselected package ssh. Preparing to unpack .../84-ssh_1%3a9.6p1-3ubuntu13.14_all.deb ... Unpacking ssh (1:9.6p1-3ubuntu13.14) ... Selecting previously unselected package hwloc-nox. Preparing to unpack .../85-hwloc-nox_2.10.0-1build1_amd64.deb ... Unpacking hwloc-nox (2.10.0-1build1) ... Selecting previously unselected package libmpich12:amd64. Preparing to unpack .../86-libmpich12_4.2.0-5build3_amd64.deb ... Unpacking libmpich12:amd64 (4.2.0-5build3) ... Selecting previously unselected package mpich. Preparing to unpack .../87-mpich_4.2.0-5build3_amd64.deb ... Unpacking mpich (4.2.0-5build3) ... Selecting previously unselected package socat. Preparing to unpack .../88-socat_1.8.0.0-4build3_amd64.deb ... Unpacking socat (1.8.0.0-4build3) ... Selecting previously unselected package rabbitmq-server. Preparing to unpack .../89-rabbitmq-server_3.12.1-1ubuntu1.2_all.deb ... Unpacking rabbitmq-server (3.12.1-1ubuntu1.2) ... Setting up libslurm40t64 (23.11.4-1.2ubuntu5) ... Setting up postgresql-client-common (257build1.1) ... Setting up libpciaccess0:amd64 (0.17-3ubuntu0.24.04.2) ... Setting up libxau6:amd64 (1:1.0.9-1build6) ... Setting up python3-setuptools-whl (68.1.2-2ubuntu1.2) ... Setting up erlang-base (1:25.3.2.8+dfsg-1ubuntu4.5) ... Created symlink /etc/systemd/system/multi-user.target.wants/epmd.service → /usr/lib/systemd/system/epmd.service. Created symlink /etc/systemd/system/sockets.target.wants/epmd.socket → /usr/lib/systemd/system/epmd.socket. Searching for services which depend on erlang and should be started... none found. Setting up python3-colorama (0.4.6-4) ... Setting up python3-pip-whl (24.0+dfsg-1ubuntu1.3) ... Setting up libcbor0.10:amd64 (0.10.2-1.2ubuntu2) ... Setting up erlang-xmerl (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up cron (3.0pl1-184ubuntu2) ... invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Created symlink /etc/systemd/system/multi-user.target.wants/cron.service → /usr/lib/systemd/system/cron.service. Setting up libpython3.12-minimal:amd64 (3.12.3-1ubuntu0.9) ... Setting up libpq5:amd64 (16.11-0ubuntu0.24.04.1) ... Setting up erlang-syntax-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up python3-click (8.1.6-2) ... Setting up locales (2.39-0ubuntu8.6) ... Generating locales (this might take a while)... Generation complete. Setting up libelf1t64:amd64 (0.190-1.1ubuntu0.1) ... Setting up python3-six (1.16.0-4) ... Setting up erlang-parsetools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libmunge2:amd64 (0.5.15-4build1) ... Setting up libwrap0:amd64 (7.6.q-33) ... Setting up libx11-data (2:1.8.7-1build1) ... Setting up ssl-cert (1.1.2ubuntu1) ... Created symlink /etc/systemd/system/multi-user.target.wants/ssl-cert.service → /usr/lib/systemd/system/ssl-cert.service. Setting up socat (1.8.0.0-4build3) ... Setting up libssl-dev:amd64 (3.0.13-0ubuntu3.6) ... Setting up libhwloc15:amd64 (2.10.0-1build1) ... Setting up sudo (1.9.15p5-3ubuntu5.24.04.1) ... Setting up ucf (3.0043+nmu1) ... Setting up erlang-asn1 (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up erlang-tftp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libnuma1:amd64 (2.0.18-1build1) ... Setting up ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... Setting up libjson-perl (4.10000-1) ... Setting up libxslt1.1:amd64 (1.1.39-0exp1ubuntu0.24.04.2) ... Setting up libnl-3-200:amd64 (3.7.0-0.3build1.1) ... Setting up erlang-mnesia (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libevent-core-2.1-7t64:amd64 (2.1.12-stable-9ubuntu2) ... Setting up erlang-crypto (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up liburing2:amd64 (2.5-1build1) ... Setting up libfido2-1:amd64 (1.14.0-1build3) ... Setting up libbsd0:amd64 (0.12.1-1build1.1) ... Setting up libdrm-common (2.4.122-1~ubuntu0.24.04.2) ... Setting up libpopt0:amd64 (1.19+dfsg-1build1) ... Setting up logrotate (3.21.0-2build1) ... Created symlink /etc/systemd/system/timers.target.wants/logrotate.timer → /usr/lib/systemd/system/logrotate.timer. Setting up python3.12-minimal (3.12.3-1ubuntu0.9) ... Setting up libxdmcp6:amd64 (1:1.1.3-0ubuntu6) ... Setting up libxcb1:amd64 (1.15-1ubuntu2) ... Setting up libpython3.12-stdlib:amd64 (3.12.3-1ubuntu0.9) ... Setting up python3-reentry (1.3.2-1) ... Setting up erlang-runtime-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-9ubuntu2) ... Setting up python3.12 (3.12.3-1ubuntu0.9) ... Setting up postgresql-client-16 (16.11-0ubuntu0.24.04.1) ... update-alternatives: using /usr/share/postgresql/16/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up libedit2:amd64 (3.1-20230828-1build1) ... Setting up hwloc-nox (2.10.0-1build1) ... Setting up erlang-tools (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libpq-dev (16.11-0ubuntu0.24.04.1) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3build1.1) ... Setting up libpython3.12t64:amd64 (3.12.3-1ubuntu0.9) ... Setting up erlang-snmp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libllvm17t64:amd64 (1:17.0.6-9ubuntu1) ... Setting up erlang-public-key (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up postgresql-common (257build1.1) ... Creating config file /etc/postgresql-common/createcluster.conf with new version Building PostgreSQL dictionaries from installed myspell/hunspell packages... Removing obsolete dictionary files: invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Created symlink /etc/systemd/system/multi-user.target.wants/postgresql.service → /usr/lib/systemd/system/postgresql.service. Setting up plocate (1.1.19-2ubuntu2) ... update-alternatives: using /usr/bin/plocate to provide /usr/bin/locate (locate) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/locate.1.gz because associated file /usr/share/man/man1/plocate.1.gz (of link group locate) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man8/updatedb.8.gz because associated file /usr/share/man/man8/updatedb.plocate.8.gz (of link group locate) doesn't exist info: Selecting GID from range 100 to 999 ... info: Adding group `plocate' (GID 104) ... Initializing plocate database; this may take some time... done Created symlink /etc/systemd/system/timers.target.wants/plocate-updatedb.timer → /usr/lib/systemd/system/plocate-updatedb.timer. Setting up libdrm2:amd64 (2.4.122-1~ubuntu0.24.04.2) ... Setting up libx11-6:amd64 (2:1.8.7-1build1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... Setting up erlang-ssl (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libdrm-amdgpu1:amd64 (2.4.122-1~ubuntu0.24.04.2) ... Setting up libibverbs1:amd64 (50.0-2ubuntu0.2) ... Setting up postgresql-16 (16.11-0ubuntu0.24.04.1) ... Creating new PostgreSQL cluster 16/main ... /usr/lib/postgresql/16/bin/initdb -D /var/lib/postgresql/16/main --auth-local peer --auth-host scram-sha-256 --no-instructions The files belonging to this database system will be owned by user "postgres". This user must also own the server process. The database cluster will be initialized with locale "C.UTF-8". The default database encoding has accordingly been set to "UTF8". The default text search configuration will be set to "english". Data page checksums are disabled. fixing permissions on existing directory /var/lib/postgresql/16/main ... ok creating subdirectories ... ok selecting dynamic shared memory implementation ... posix selecting default max_connections ... 100 selecting default shared_buffers ... 128MB selecting default time zone ... Etc/UTC creating configuration files ... ok running bootstrap script ... ok performing post-bootstrap initialization ... ok syncing data to disk ... ok invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up ibverbs-providers:amd64 (50.0-2ubuntu0.2) ... Setting up python3.12-venv (3.12.3-1ubuntu0.9) ... Setting up openssh-client (1:9.6p1-3ubuntu13.14) ... Setting up erlang-os-mon (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libxext6:amd64 (2:1.3.4-1build2) ... Setting up libpython3.12-dev:amd64 (3.12.3-1ubuntu0.9) ... Setting up libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... Setting up erlang-eldap (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up python3-venv (3.12.3-0ubuntu2.1) ... Setting up python3.12-dev (3.12.3-1ubuntu0.9) ... Setting up erlang-ftp (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up librdmacm1t64:amd64 (50.0-2ubuntu0.2) ... Setting up postgresql (16+257build1.1) ... Setting up libhsakmt1:amd64 (5.7.0-1build1) ... Setting up openssh-sftp-server (1:9.6p1-3ubuntu13.14) ... Setting up openssh-server (1:9.6p1-3ubuntu13.14) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:9Ch9xtbbj6Kj9RKx+jJRxHiyxR2fgUDGxfemMRTQlSI root@9407df3d50df (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:o7eh/umv+uvz38zB+26i5hYbcs3XkgrbznQIa4rc9fM root@9407df3d50df (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:RR2f3f0S1j3jPelQKdZ1TVjccBUjQcmS6GBJxPxm834 root@9407df3d50df (ED25519) invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Created symlink /etc/systemd/system/sockets.target.wants/ssh.socket → /usr/lib/systemd/system/ssh.socket. Created symlink /etc/systemd/system/ssh.service.requires/ssh.socket → /usr/lib/systemd/system/ssh.socket. Setting up erlang-inets (1:25.3.2.8+dfsg-1ubuntu4.5) ... Setting up libhwloc-plugins:amd64 (2.10.0-1build1) ... Setting up libpmix2t64:amd64 (5.0.1-4.1build1) ... Setting up libhsa-runtime64-1 (5.7.1-2build1) ... Setting up rabbitmq-server (3.12.1-1ubuntu1.2) ... info: Selecting GID from range 100 to 999 ... info: Adding group `rabbitmq' (GID 107) ... info: Selecting UID from range 100 to 999 ... info: Adding system user `rabbitmq' (UID 103) ... info: Adding new user `rabbitmq' (UID 103) with group `rabbitmq' ... info: Not creating home directory `/var/lib/rabbitmq'. Created symlink /etc/systemd/system/multi-user.target.wants/rabbitmq-server.service → /usr/lib/systemd/system/rabbitmq-server.service. invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up ssh (1:9.6p1-3ubuntu13.14) ... Setting up libamdhip64-5 (5.7.1-3) ... Setting up libucx0:amd64 (1.16.0+ds-5ubuntu1) ... Setting up libmpich12:amd64 (4.2.0-5build3) ... Setting up mpich (4.2.0-5build3) ... update-alternatives: using /usr/bin/mpicc.mpich to provide /usr/bin/mpicc (mpi) in auto mode update-alternatives: using /usr/bin/mpirun.mpich to provide /usr/bin/mpirun (mpirun) in auto mode Processing triggers for libc-bin (2.39-0ubuntu8.6) ... ./test_aiida.sh: line 33: warning: setlocale: LC_ALL: cannot change locale (en_US.UTF-8) /bin/bash: warning: setlocale: LC_ALL: cannot change locale (en_US.UTF-8) Generating locales (this might take a while)... en_US.UTF-8... done Generation complete. ========== Installing AiiDA-CP2K plugin ========== Processing /opt/aiida-cp2k Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting aiida-core<3.0.0,>=2.0.0 (from aiida-cp2k==2.1.1) Downloading aiida_core-2.7.1-py3-none-any.whl.metadata (11 kB) Collecting aiida-gaussian-datatypes (from aiida-cp2k==2.1.1) Downloading aiida_gaussian_datatypes-0.5.1-py3-none-any.whl.metadata (8.1 kB) Collecting ase (from aiida-cp2k==2.1.1) Downloading ase-3.26.0-py3-none-any.whl.metadata (4.1 kB) Collecting ruamel.yaml>=0.16.5 (from aiida-cp2k==2.1.1) Downloading ruamel.yaml-0.18.16-py3-none-any.whl.metadata (25 kB) Collecting cp2k-output-tools (from aiida-cp2k==2.1.1) Downloading cp2k_output_tools-0.5.0-py3-none-any.whl.metadata (15 kB) Collecting aiida-pseudo~=1.2 (from aiida-cp2k==2.1.1) Downloading aiida_pseudo-1.8.0-py3-none-any.whl.metadata (10 kB) Collecting upf-to-json>=0.9 (from aiida-cp2k==2.1.1) Downloading upf_to_json-1.0.0-py3-none-any.whl.metadata (3.1 kB) Collecting bumpver==2022.1119 (from aiida-cp2k==2.1.1) Downloading bumpver-2022.1119-py2.py3-none-any.whl.metadata (49 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 50.0/50.0 kB 4.8 MB/s eta 0:00:00 Collecting pgtest~=1.3 (from aiida-cp2k==2.1.1) Downloading pgtest-1.3.2-py2.py3-none-any.whl.metadata (3.3 kB) Collecting pytest~=6.0 (from aiida-cp2k==2.1.1) Downloading pytest-6.2.5-py3-none-any.whl.metadata (7.5 kB) Collecting pytest-cov~=2.11.1 (from aiida-cp2k==2.1.1) Downloading pytest_cov-2.11.1-py2.py3-none-any.whl.metadata (21 kB) Collecting coverage (from aiida-cp2k==2.1.1) Downloading coverage-7.12.0-cp312-cp312-manylinux1_x86_64.manylinux_2_28_x86_64.manylinux_2_5_x86_64.whl.metadata (9.1 kB) Collecting pre-commit~=3.6 (from aiida-cp2k==2.1.1) Downloading pre_commit-3.8.0-py2.py3-none-any.whl.metadata (1.3 kB) Collecting pathlib2 (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading pathlib2-2.3.7.post1-py2.py3-none-any.whl.metadata (3.5 kB) Collecting toml (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading toml-0.10.2-py2.py3-none-any.whl.metadata (7.1 kB) Collecting lexid (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading lexid-2021.1006-py2.py3-none-any.whl.metadata (7.0 kB) Collecting colorama>=0.4 (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading colorama-0.4.6-py2.py3-none-any.whl.metadata (17 kB) Collecting setuptools>=45.0.0 (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading setuptools-80.9.0-py3-none-any.whl.metadata (6.6 kB) Collecting click (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading click-8.3.1-py3-none-any.whl.metadata (2.6 kB) Collecting alembic~=1.2 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading alembic-1.17.2-py3-none-any.whl.metadata (7.2 kB) Collecting archive-path~=0.4.2 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading archive_path-0.4.2-py3-none-any.whl.metadata (3.7 kB) Collecting asyncssh~=2.19.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading asyncssh-2.19.0-py3-none-any.whl.metadata (9.9 kB) Collecting circus~=0.19.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading circus-0.19.0-py3-none-any.whl.metadata (2.1 kB) Collecting click-spinner~=0.1.8 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading click_spinner-0.1.10-py2.py3-none-any.whl.metadata (1.5 kB) Collecting click (from bumpver==2022.1119->aiida-cp2k==2.1.1) Downloading click-8.1.8-py3-none-any.whl.metadata (2.3 kB) Collecting disk-objectstore~=1.3.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading disk_objectstore-1.3.0-py3-none-any.whl.metadata (4.8 kB) Collecting docstring-parser (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading docstring_parser-0.17.0-py3-none-any.whl.metadata (3.5 kB) Collecting graphviz~=0.19 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading graphviz-0.21-py3-none-any.whl.metadata (12 kB) Collecting plumpy~=0.25.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading plumpy-0.25.1-py3-none-any.whl.metadata (5.1 kB) Collecting ipython>=7 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading ipython-9.8.0-py3-none-any.whl.metadata (4.5 kB) Collecting jedi<0.19 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading jedi-0.18.2-py2.py3-none-any.whl.metadata (22 kB) Collecting jinja2~=3.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading jinja2-3.1.6-py3-none-any.whl.metadata (2.9 kB) Collecting kiwipy~=0.8.4 (from kiwipy[rmq]~=0.8.4->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading kiwipy-0.8.5-py3-none-any.whl.metadata (7.9 kB) Collecting importlib-metadata~=6.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading importlib_metadata-6.11.0-py3-none-any.whl.metadata (4.9 kB) Collecting numpy~=1.21 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading numpy-1.26.4-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (61 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 61.0/61.0 kB 7.2 MB/s eta 0:00:00 Collecting paramiko~=3.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading paramiko-3.5.1-py3-none-any.whl.metadata (4.6 kB) Collecting pgsu~=0.3.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading pgsu-0.3.0-py3-none-any.whl.metadata (4.6 kB) Collecting psutil~=5.6 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading psutil-5.9.8-cp36-abi3-manylinux_2_12_x86_64.manylinux2010_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (21 kB) Collecting psycopg~=3.0 (from psycopg[binary]~=3.0->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading psycopg-3.3.2-py3-none-any.whl.metadata (4.3 kB) Collecting pydantic~=2.4 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading pydantic-2.12.5-py3-none-any.whl.metadata (90 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 90.6/90.6 kB 17.9 MB/s eta 0:00:00 Collecting pytz~=2021.1 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading pytz-2021.3-py2.py3-none-any.whl.metadata (21 kB) Collecting pyyaml~=6.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading pyyaml-6.0.3-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl.metadata (2.4 kB) Collecting requests~=2.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading requests-2.32.5-py3-none-any.whl.metadata (4.9 kB) Collecting sqlalchemy~=2.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading sqlalchemy-2.0.44-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (9.5 kB) Collecting tabulate<0.10.0,>=0.8.0 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading tabulate-0.9.0-py3-none-any.whl.metadata (34 kB) Collecting tqdm~=4.45 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading tqdm-4.67.1-py3-none-any.whl.metadata (57 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 57.7/57.7 kB 8.7 MB/s eta 0:00:00 Collecting upf-to-json>=0.9 (from aiida-cp2k==2.1.1) Downloading upf_to_json-0.9.5-py3-none-any.whl.metadata (1.3 kB) Collecting wrapt~=1.11 (from aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading wrapt-1.17.3-cp312-cp312-manylinux1_x86_64.manylinux_2_28_x86_64.manylinux_2_5_x86_64.whl.metadata (6.4 kB) Collecting pint<0.25.0,>=0.23.0 (from aiida-pseudo~=1.2->aiida-cp2k==2.1.1) Downloading Pint-0.24.4-py3-none-any.whl.metadata (8.5 kB) Collecting pg8000>=1.10 (from pgtest~=1.3->aiida-cp2k==2.1.1) Downloading pg8000-1.31.5-py3-none-any.whl.metadata (88 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 88.8/88.8 kB 16.6 MB/s eta 0:00:00 Collecting cfgv>=2.0.0 (from pre-commit~=3.6->aiida-cp2k==2.1.1) Downloading cfgv-3.5.0-py2.py3-none-any.whl.metadata (8.9 kB) Collecting identify>=1.0.0 (from pre-commit~=3.6->aiida-cp2k==2.1.1) Downloading identify-2.6.15-py2.py3-none-any.whl.metadata (4.4 kB) Collecting nodeenv>=0.11.1 (from pre-commit~=3.6->aiida-cp2k==2.1.1) Downloading nodeenv-1.9.1-py2.py3-none-any.whl.metadata (21 kB) Collecting virtualenv>=20.10.0 (from pre-commit~=3.6->aiida-cp2k==2.1.1) Downloading virtualenv-20.35.4-py3-none-any.whl.metadata (4.6 kB) Collecting attrs>=19.2.0 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pexpect-4.9.0-py2.py3-none-any.whl.metadata (2.5 kB) Collecting prompt_toolkit<3.1.0,>=3.0.41 (from ipython>=7->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading prompt_toolkit-3.0.52-py3-none-any.whl.metadata (6.4 kB) Collecting pygments>=2.11.0 (from ipython>=7->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading pygments-2.19.2-py3-none-any.whl.metadata (2.5 kB) Collecting stack_data>=0.6.0 (from ipython>=7->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading stack_data-0.6.3-py3-none-any.whl.metadata (18 kB) Collecting traitlets>=5.13.0 (from ipython>=7->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading traitlets-5.14.3-py3-none-any.whl.metadata (10 kB) Collecting parso<0.9.0,>=0.8.0 (from jedi<0.19->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading parso-0.8.5-py2.py3-none-any.whl.metadata (8.3 kB) Collecting MarkupSafe>=2.0 (from jinja2~=3.0->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.1.1) Downloading 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executing-2.2.1-py2.py3-none-any.whl (28 kB) Downloading ptyprocess-0.7.0-py2.py3-none-any.whl (13 kB) Downloading pure_eval-0.2.3-py3-none-any.whl (11 kB) Downloading wcwidth-0.2.14-py2.py3-none-any.whl (37 kB) Downloading yarl-1.22.0-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (377 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 377.3/377.3 kB 37.6 MB/s eta 0:00:00 Downloading multidict-6.7.0-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (256 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 256.1/256.1 kB 30.0 MB/s eta 0:00:00 Downloading propcache-0.4.1-cp312-cp312-manylinux2014_x86_64.manylinux_2_17_x86_64.manylinux_2_28_x86_64.whl (221 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 221.6/221.6 kB 26.7 MB/s eta 0:00:00 Downloading pycparser-2.23-py3-none-any.whl (118 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 118.1/118.1 kB 14.9 MB/s eta 0:00:00 Building wheels for collected packages: aiida-cp2k, regex Building wheel for aiida-cp2k (pyproject.toml): started Building wheel for aiida-cp2k (pyproject.toml): finished with status 'done' Created wheel for aiida-cp2k: filename=aiida_cp2k-2.1.1-py3-none-any.whl size=31638 sha256=4a17baa2649ce4ebfa313f963b168e4620f1857b52d6b1b65799773088300ef8 Stored in directory: /root/.cache/pip/wheels/4e/24/a0/7a0581c360f9d500508c9c633c14cdc863134021e033029eef Building wheel for regex (pyproject.toml): started Building wheel for regex (pyproject.toml): finished with status 'done' Created wheel for regex: filename=regex-2021.11.10-cp312-cp312-linux_x86_64.whl size=740277 sha256=ee7969791ad94db3f2cf0d3a3f8ad878b8e493d402414a04dbf3a6511ef96e24 Stored in directory: /root/.cache/pip/wheels/44/c1/d0/0ca63734c59075565608e726a561ed36b95b201cc00a9634dd Successfully built aiida-cp2k regex Installing collected packages: upf-to-json, regex, pytz, pure-eval, ptyprocess, distlib, click-spinner, asn1crypto, zipp, wrapt, wcwidth, urllib3, typing-extensions, traitlets, tqdm, tornado, toml, tabulate, six, shortuuid, setuptools, scramp, ruamel.yaml.clib, pyzmq, pyyaml, pyparsing, pygments, pycparser, py, psycopg-binary, psutil, propcache, pluggy, platformdirs, pillow, pexpect, parso, pamqp, packaging, numpy, nodeenv, nest_asyncio, multidict, MarkupSafe, lexid, kiwisolver, iniconfig, idna, identify, greenlet, graphviz, fonttools, filelock, executing, docstring-parser, decorator, cycler, coverage, colorama, click, charset_normalizer, cfgv, certifi, bcrypt, attrs, asttokens, archive-path, annotated-types, yarl, virtualenv, typing-inspection, transitions, stack_data, sqlalchemy, scipy, ruamel.yaml, requests, python-dateutil, pytest, pydantic-core, psycopg, prompt_toolkit, pint, pathlib2, matplotlib-inline, Mako, jinja2, jedi, ipython-pygments-lexers, importlib-metadata, deprecation, cp2k-output-tools, contourpy, circus, cffi, pytray, pytest-cov, pynacl, pydantic, pre-commit, pg8000, matplotlib, kiwipy, ipython, disk-objectstore, cryptography, bumpver, alembic, aiormq, pgtest, pgsu, paramiko, cp2k-input-tools, asyncssh, ase, aio-pika, plumpy, aiida-core, aiida-pseudo, aiida-gaussian-datatypes, aiida-cp2k Successfully installed Mako-1.3.10 MarkupSafe-3.0.3 aiida-core-2.7.1 aiida-cp2k-2.1.1 aiida-gaussian-datatypes-0.5.1 aiida-pseudo-1.8.0 aio-pika-9.4.3 aiormq-6.8.1 alembic-1.17.2 annotated-types-0.7.0 archive-path-0.4.2 ase-3.26.0 asn1crypto-1.5.1 asttokens-3.0.1 asyncssh-2.19.0 attrs-25.4.0 bcrypt-5.0.0 bumpver-2022.1119 certifi-2025.11.12 cffi-2.0.0 cfgv-3.5.0 charset_normalizer-3.4.4 circus-0.19.0 click-8.1.8 click-spinner-0.1.10 colorama-0.4.6 contourpy-1.3.3 coverage-7.12.0 cp2k-input-tools-0.9.1 cp2k-output-tools-0.5.0 cryptography-46.0.3 cycler-0.12.1 decorator-5.2.1 deprecation-2.1.0 disk-objectstore-1.3.0 distlib-0.4.0 docstring-parser-0.17.0 executing-2.2.1 filelock-3.20.0 fonttools-4.61.0 graphviz-0.21 greenlet-3.3.0 identify-2.6.15 idna-3.11 importlib-metadata-6.11.0 iniconfig-2.3.0 ipython-9.8.0 ipython-pygments-lexers-1.1.1 jedi-0.18.2 jinja2-3.1.6 kiwipy-0.8.5 kiwisolver-1.4.9 lexid-2021.1006 matplotlib-3.10.7 matplotlib-inline-0.2.1 multidict-6.7.0 nest_asyncio-1.6.0 nodeenv-1.9.1 numpy-1.26.4 packaging-25.0 pamqp-3.3.0 paramiko-3.5.1 parso-0.8.5 pathlib2-2.3.7.post1 pexpect-4.9.0 pg8000-1.31.5 pgsu-0.3.0 pgtest-1.3.2 pillow-12.0.0 pint-0.23 platformdirs-4.5.1 pluggy-1.6.0 plumpy-0.25.0 pre-commit-3.8.0 prompt_toolkit-3.0.52 propcache-0.4.1 psutil-5.9.8 psycopg-3.3.2 psycopg-binary-3.3.2 ptyprocess-0.7.0 pure-eval-0.2.3 py-1.11.0 pycparser-2.23 pydantic-2.12.5 pydantic-core-2.41.5 pygments-2.19.2 pynacl-1.6.1 pyparsing-3.2.5 pytest-6.2.5 pytest-cov-2.11.1 python-dateutil-2.9.0.post0 pytray-0.3.4 pytz-2021.3 pyyaml-6.0.3 pyzmq-27.1.0 regex-2021.11.10 requests-2.32.5 ruamel.yaml-0.18.16 ruamel.yaml.clib-0.2.15 scipy-1.16.3 scramp-1.4.6 setuptools-80.9.0 shortuuid-1.0.13 six-1.17.0 sqlalchemy-2.0.44 stack_data-0.6.3 tabulate-0.9.0 toml-0.10.2 tornado-6.5.2 tqdm-4.67.1 traitlets-5.14.3 transitions-0.9.3 typing-extensions-4.15.0 typing-inspection-0.4.2 upf-to-json-0.9.5 urllib3-2.6.0 virtualenv-20.35.4 wcwidth-0.2.14 wrapt-1.17.3 yarl-1.22.0 zipp-3.23.0 ========== Configuring AiiDA ========== * Starting RabbitMQ Messaging Server rabbitmq-server ...done. * Starting PostgreSQL 16 database server ...done. /opt/venv/lib/python3.12/site-packages/aiida/manage/configuration/settings.py:109: UserWarning: Creating AiiDA configuration folder `/home/ubuntu/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') Report: Option `--use-postgres` not enabled: configuring the profile to use SQLite. Report: RabbitMQ server detected: configuring the profile with a broker. Report: Initialising the storage backend. Report: Storage initialisation completed. Success: Created new profile `presto`. Success: Configured the localhost as a computer. ========== Running AiiDA-CP2K Tests ========== ============================= test session starts ============================== platform linux -- Python 3.12.3, pytest-6.2.5, py-1.11.0, pluggy-1.6.0 rootdir: /opt/aiida-cp2k, configfile: pyproject.toml plugins: cov-2.11.1 collected 59 items / 1 deselected / 58 selected examples/gaussian_datatypes/example_automatic.py . [ 1%] examples/gaussian_datatypes/example_explicit.py . [ 3%] examples/single_calculations/example_bands.py . [ 5%] examples/single_calculations/example_dft.py . [ 6%] examples/single_calculations/example_dft_atomic_kinds.py . [ 8%] examples/single_calculations/example_failure.py . [ 10%] examples/single_calculations/example_geopt.py . [ 12%] examples/single_calculations/example_geopt_advanced_parser.py . [ 13%] examples/single_calculations/example_max_error.py . [ 15%] examples/single_calculations/example_mm.py . [ 17%] examples/single_calculations/example_mm_md.py . [ 18%] examples/single_calculations/example_multiple_force_eval.py . [ 20%] examples/single_calculations/example_no_struct.py . [ 22%] examples/single_calculations/example_precision.py . [ 24%] examples/single_calculations/example_restart.py . [ 25%] examples/single_calculations/example_structure_through_file.py . [ 27%] examples/workchains/example_base_energy_restart.py . [ 29%] examples/workchains/example_base_failed_restart.py . [ 31%] examples/workchains/example_base_geo_opt_ignore_converge_restart.py . [ 32%] examples/workchains/example_base_geoopt_restart.py . [ 34%] examples/workchains/example_base_md_restart.py . [ 36%] test/test_datatype_helpers.py .... [ 43%] test/test_gaussian_datatypes.py ........ [ 56%] test/test_input_generator.py ......... [ 72%] test/test_parser.py ............... [ 98%] test/test_xyz.py . [100%] =============================== warnings summary =============================== ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:689: 28 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:689: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead and isinstance(item.value, ast.Str) ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:691: 28 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:691: DeprecationWarning: Attribute s is deprecated and will be removed in Python 3.14; use value instead doc = item.value.s ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:958: 67 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:958: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead inlocs = ast.Compare(ast.Str(name.id), [ast.In()], [locs]) ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:961: 67 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:961: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead expr = ast.IfExp(test, self.display(name), ast.Str(name.id)) ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:933: 38 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:933: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead assertmsg = ast.Str("") ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:935: 58 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:935: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead template = ast.BinOp(assertmsg, ast.Add(), ast.Str(explanation)) ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:823: 265 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:823: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead keys = [ast.Str(key) for key in current.keys()] ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:947: 58 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:947: DeprecationWarning: ast.NameConstant is deprecated and will be removed in Python 3.14; use ast.Constant instead clear = ast.Assign(variables, ast.NameConstant(None)) ../venv/lib/python3.12/site-packages/aiida/manage/tests/pytest_fixtures.py:56 /opt/venv/lib/python3.12/site-packages/aiida/manage/tests/pytest_fixtures.py:56: AiidaDeprecationWarning: The module `aiida.manage.tests.pytest_fixtures` is deprecated, please use `aiida.tools.pytest_fixtures` instead. (this will be removed in v3) warn_deprecation( ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:1071: 50 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:1071: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead syms.append(ast.Str(sym)) ../venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:1073: 50 warnings /opt/venv/lib/python3.12/site-packages/_pytest/assertion/rewrite.py:1073: DeprecationWarning: ast.Str is deprecated and will be removed in Python 3.14; use ast.Constant instead expls.append(ast.Str(expl)) examples/gaussian_datatypes/example_automatic.py::example_gdt /opt/venv/lib/python3.12/site-packages/aiida/manage/configuration/settings.py:109: UserWarning: Creating AiiDA configuration folder `/tmp/pytest-of-ubuntu/pytest-0/config0/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') examples/gaussian_datatypes/example_automatic.py::example_gdt /opt/venv/lib/python3.12/site-packages/pgtest/pgtest.py:559: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). endtime = datetime.datetime.utcnow() + datetime.timedelta(seconds=wait) examples/gaussian_datatypes/example_automatic.py::example_gdt /opt/venv/lib/python3.12/site-packages/pgtest/pgtest.py:562: DeprecationWarning: datetime.datetime.utcnow() is deprecated and scheduled for removal in a future version. Use timezone-aware objects to represent datetimes in UTC: datetime.datetime.now(datetime.UTC). if datetime.datetime.utcnow() > endtime: examples/gaussian_datatypes/example_automatic.py::example_gdt /opt/venv/lib/python3.12/site-packages/pgsu/__init__.py:102: UserWarning: The dsn contained the key `database` which was renamed to `dbname` in psycopg v3. Renamed the database key to dbname warnings.warn( examples/gaussian_datatypes/example_automatic.py::example_gdt /opt/venv/lib/python3.12/site-packages/cp2k_input_tools/pseudopotentials/cp2k.py:28: PydanticDeprecatedSince212: Using `@model_validator` with mode='after' on a classmethod is deprecated. Instead, use an instance method. See the documentation at https://docs.pydantic.dev/2.12/concepts/validators/#model-after-validator. Deprecated in Pydantic V2.12 to be removed in V3.0. @model_validator(mode="after") examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 2 warnings examples/workchains/example_base_energy_restart.py: 1 warning examples/workchains/example_base_failed_restart.py: 1 warning examples/workchains/example_base_geo_opt_ignore_converge_restart.py: 5 warnings examples/workchains/example_base_geoopt_restart.py: 6 warnings examples/workchains/example_base_md_restart.py: 5 warnings test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/backend.py:272: SAWarning: Object of type not in session, add operation along 'DbUser.dbnodes' will not proceed with session.begin_nested() as savepoint: examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:51: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("name", name) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:52: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("element", element) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:53: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("tags", tags) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:54: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("aliases", aliases) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:55: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("n_el", n_el) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:56: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("blocks", blocks) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:57: AiidaDeprecationWarning: `BasisSet.set_attribute` is deprecated, use `BasisSet.base.attributes.set` instead. (this will be removed in v3) self.set_attribute("version", version) examples/gaussian_datatypes/example_automatic.py: 5 warnings examples/gaussian_datatypes/example_explicit.py: 4 warnings test/test_gaussian_datatypes.py: 35 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:102: AiidaDeprecationWarning: `BasisSet.get_attribute` is deprecated, use `BasisSet.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("element", None) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:72: AiidaDeprecationWarning: `Pseudopotential.set_attribute` is deprecated, use `Pseudopotential.base.attributes.set` instead. (this will be removed in v3) self.set_attribute(attr, locals()[attr]) examples/gaussian_datatypes/example_automatic.py: 4 warnings examples/gaussian_datatypes/example_explicit.py: 4 warnings test/test_gaussian_datatypes.py: 29 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:117: AiidaDeprecationWarning: `Pseudopotential.get_attribute` is deprecated, use `Pseudopotential.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("element", None) examples/gaussian_datatypes/example_automatic.py: 4 warnings examples/gaussian_datatypes/example_explicit.py: 4 warnings examples/single_calculations/example_bands.py: 4 warnings examples/single_calculations/example_dft.py: 4 warnings examples/single_calculations/example_dft_atomic_kinds.py: 5 warnings examples/single_calculations/example_failure.py: 3 warnings examples/single_calculations/example_geopt.py: 6 warnings examples/single_calculations/example_geopt_advanced_parser.py: 6 warnings examples/single_calculations/example_max_error.py: 5 warnings examples/single_calculations/example_mm.py: 4 warnings examples/single_calculations/example_mm_md.py: 6 warnings examples/single_calculations/example_multiple_force_eval.py: 4 warnings examples/single_calculations/example_no_struct.py: 4 warnings examples/single_calculations/example_precision.py: 6 warnings examples/single_calculations/example_restart.py: 11 warnings examples/single_calculations/example_structure_through_file.py: 4 warnings examples/workchains/example_base_energy_restart.py: 4 warnings examples/workchains/example_base_failed_restart.py: 4 warnings examples/workchains/example_base_geo_opt_ignore_converge_restart.py: 12 warnings examples/workchains/example_base_geoopt_restart.py: 14 warnings examples/workchains/example_base_md_restart.py: 13 warnings test/test_datatype_helpers.py: 8 warnings test/test_gaussian_datatypes.py: 23 warnings /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/orm/utils.py:84: SAWarning: Object of type not in session, add operation along 'DbUser.dbnodes' will not proceed (This warning originated from the Session 'autoflush' process, which was invoked automatically in response to a user-initiated operation. Consider using ``no_autoflush`` context manager if this warning happened while initializing objects.) return getattr(self._model, item) examples/gaussian_datatypes/example_automatic.py: 5 warnings examples/gaussian_datatypes/example_explicit.py: 4 warnings test/test_gaussian_datatypes.py: 36 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:111: AiidaDeprecationWarning: `BasisSet.get_attribute` is deprecated, use `BasisSet.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("name", None) examples/gaussian_datatypes/example_automatic.py: 5 warnings examples/gaussian_datatypes/example_explicit.py: 4 warnings test/test_gaussian_datatypes.py: 34 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:126: AiidaDeprecationWarning: `Pseudopotential.get_attribute` is deprecated, use `Pseudopotential.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("name", None) examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning examples/single_calculations/example_bands.py: 1 warning examples/single_calculations/example_dft.py: 1 warning examples/single_calculations/example_dft_atomic_kinds.py: 1 warning examples/single_calculations/example_failure.py: 1 warning examples/single_calculations/example_geopt.py: 1 warning examples/single_calculations/example_geopt_advanced_parser.py: 1 warning examples/single_calculations/example_max_error.py: 1 warning examples/single_calculations/example_mm.py: 1 warning examples/single_calculations/example_mm_md.py: 1 warning examples/single_calculations/example_multiple_force_eval.py: 1 warning examples/single_calculations/example_no_struct.py: 1 warning examples/single_calculations/example_precision.py: 1 warning examples/single_calculations/example_restart.py: 2 warnings examples/single_calculations/example_structure_through_file.py: 1 warning examples/workchains/example_base_energy_restart.py: 1 warning examples/workchains/example_base_failed_restart.py: 1 warning examples/workchains/example_base_geo_opt_ignore_converge_restart.py: 1 warning examples/workchains/example_base_geoopt_restart.py: 1 warning examples/workchains/example_base_md_restart.py: 1 warning test/test_datatype_helpers.py: 8 warnings test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/orm/querybuilder/main.py:181: SAWarning: Object of type not in session, add operation along 'DbUser.dbnodes' will not proceed (This warning originated from the Session 'autoflush' process, which was invoked automatically in response to a user-initiated operation. Consider using ``no_autoflush`` context manager if this warning happened while initializing objects.) result = build.query.count() examples/gaussian_datatypes/example_automatic.py: 3 warnings examples/gaussian_datatypes/example_explicit.py: 3 warnings test/test_gaussian_datatypes.py: 25 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:138: AiidaDeprecationWarning: `BasisSet.get_attribute` is deprecated, use `BasisSet.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("version", None) examples/gaussian_datatypes/example_automatic.py::example_gdt examples/gaussian_datatypes/example_explicit.py::example_gdt /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/backend.py:272: SAWarning: Object of type not in session, add operation along 'DbComputer.dbnodes' will not proceed with session.begin_nested() as savepoint: examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 2 warnings test/test_gaussian_datatypes.py: 17 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:82: AiidaDeprecationWarning: `BasisSet.attributes` is deprecated, use `BasisSet.base.attributes.all` instead. (this will be removed in v3) _dict2basissetdata(self.attributes) examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 3 warnings test/test_gaussian_datatypes.py: 22 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:120: AiidaDeprecationWarning: `BasisSet.get_attribute` is deprecated, use `BasisSet.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("aliases", []) examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 2 warnings test/test_gaussian_datatypes.py: 17 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:129: AiidaDeprecationWarning: `BasisSet.get_attribute` is deprecated, use `BasisSet.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("tags", []) examples/gaussian_datatypes/example_automatic.py: 3 warnings examples/gaussian_datatypes/example_explicit.py: 3 warnings test/test_gaussian_datatypes.py: 24 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:153: AiidaDeprecationWarning: `Pseudopotential.get_attribute` is deprecated, use `Pseudopotential.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("version", None) examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 2 warnings test/test_gaussian_datatypes.py: 16 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:97: AiidaDeprecationWarning: `Pseudopotential.attributes` is deprecated, use `Pseudopotential.base.attributes.all` instead. (this will be removed in v3) _dict2pseudodata(self.attributes) examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 3 warnings test/test_gaussian_datatypes.py: 20 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:135: AiidaDeprecationWarning: `Pseudopotential.get_attribute` is deprecated, use `Pseudopotential.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("aliases", []) examples/gaussian_datatypes/example_automatic.py: 2 warnings examples/gaussian_datatypes/example_explicit.py: 2 warnings test/test_gaussian_datatypes.py: 16 warnings /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:144: AiidaDeprecationWarning: `Pseudopotential.get_attribute` is deprecated, use `Pseudopotential.base.attributes.get` instead. (this will be removed in v3) return self.get_attribute("tags", []) examples/gaussian_datatypes/example_automatic.py::example_gdt examples/gaussian_datatypes/example_explicit.py::example_gdt test/test_gaussian_datatypes.py::test_validation test/test_gaussian_datatypes.py::test_validation_mfe test/test_gaussian_datatypes.py::test_without_kinds test/test_gaussian_datatypes.py::test_multiple_kinds test/test_gaussian_datatypes.py::test_multiple_kinds_auto /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/basisset/data.py:301: AiidaDeprecationWarning: `BasisSet.attributes` is deprecated, use `BasisSet.base.attributes.all` instead. (this will be removed in v3) for line in _dict2basissetdata(self.attributes).cp2k_format_line_iter(): examples/gaussian_datatypes/example_automatic.py::example_gdt examples/gaussian_datatypes/example_explicit.py::example_gdt test/test_gaussian_datatypes.py::test_validation test/test_gaussian_datatypes.py::test_validation_mfe test/test_gaussian_datatypes.py::test_without_kinds test/test_gaussian_datatypes.py::test_multiple_kinds test/test_gaussian_datatypes.py::test_multiple_kinds_auto /opt/venv/lib/python3.12/site-packages/aiida_gaussian_datatypes/pseudopotential/data.py:337: AiidaDeprecationWarning: `Pseudopotential.attributes` is deprecated, use `Pseudopotential.base.attributes.all` instead. (this will be removed in v3) for line in _dict2pseudodata(self.attributes).cp2k_format_line_iter(): examples/gaussian_datatypes/example_automatic.py: 1 warning examples/gaussian_datatypes/example_explicit.py: 1 warning examples/single_calculations/example_bands.py: 1 warning examples/single_calculations/example_dft.py: 1 warning examples/single_calculations/example_dft_atomic_kinds.py: 1 warning examples/single_calculations/example_failure.py: 1 warning examples/single_calculations/example_geopt.py: 1 warning examples/single_calculations/example_geopt_advanced_parser.py: 1 warning examples/single_calculations/example_max_error.py: 1 warning examples/single_calculations/example_mm.py: 1 warning examples/single_calculations/example_mm_md.py: 1 warning examples/single_calculations/example_multiple_force_eval.py: 1 warning examples/single_calculations/example_no_struct.py: 1 warning examples/single_calculations/example_precision.py: 1 warning examples/single_calculations/example_restart.py: 2 warnings examples/single_calculations/example_structure_through_file.py: 1 warning examples/workchains/example_base_energy_restart.py: 1 warning examples/workchains/example_base_failed_restart.py: 1 warning examples/workchains/example_base_geo_opt_ignore_converge_restart.py: 2 warnings examples/workchains/example_base_geoopt_restart.py: 2 warnings examples/workchains/example_base_md_restart.py: 2 warnings test/test_gaussian_datatypes.py: 5 warnings /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/orm/utils.py:84: SAWarning: Object of type not in session, add operation along 'DbComputer.dbnodes' will not proceed (This warning originated from the Session 'autoflush' process, which was invoked automatically in response to a user-initiated operation. Consider using ``no_autoflush`` context manager if this warning happened while initializing objects.) return getattr(self._model, item) examples/single_calculations/example_bands.py: 1 warning examples/single_calculations/example_dft.py: 1 warning examples/single_calculations/example_dft_atomic_kinds.py: 1 warning examples/single_calculations/example_failure.py: 1 warning examples/single_calculations/example_geopt.py: 1 warning examples/single_calculations/example_geopt_advanced_parser.py: 1 warning examples/single_calculations/example_max_error.py: 1 warning examples/single_calculations/example_mm.py: 1 warning examples/single_calculations/example_mm_md.py: 1 warning examples/single_calculations/example_multiple_force_eval.py: 1 warning examples/single_calculations/example_no_struct.py: 1 warning examples/single_calculations/example_precision.py: 1 warning examples/single_calculations/example_restart.py: 2 warnings examples/single_calculations/example_structure_through_file.py: 1 warning test/test_gaussian_datatypes.py: 8 warnings /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/orm/nodes.py:224: SAWarning: Object of type not in session, add operation along 'DbComputer.dbnodes' will not proceed session.commit() examples/single_calculations/example_dft_atomic_kinds.py::example_dft_atomic_kinds examples/single_calculations/example_max_error.py::example_dft examples/single_calculations/example_restart.py::example_restart examples/workchains/example_base_geoopt_restart.py::example_base examples/workchains/example_base_md_restart.py::example_base /opt/venv/lib/python3.12/site-packages/aiida/storage/psql_dos/orm/utils.py:119: SAWarning: Object of type not in session, add operation along 'DbUser.dbnodes' will not proceed self.session.commit() test/test_gaussian_datatypes.py::test_validation test/test_gaussian_datatypes.py::test_validation_fail test/test_gaussian_datatypes.py::test_validation_unused[multiple_o] test/test_gaussian_datatypes.py::test_validation_mfe_noauto test/test_gaussian_datatypes.py::test_validation_mfe test/test_gaussian_datatypes.py::test_without_kinds test/test_gaussian_datatypes.py::test_multiple_kinds test/test_gaussian_datatypes.py::test_multiple_kinds_auto /opt/venv/lib/python3.12/site-packages/aiida/manage/tests/pytest_fixtures.py:386: AiidaDeprecationWarning: the clear_database_after_test fixture is deprecated, use aiida_profile_clean instead (this will be removed in v3) warn_deprecation('the clear_database_after_test fixture is deprecated, use aiida_profile_clean instead', version=3) ../venv/lib/python3.12/site-packages/_pytest/cacheprovider.py:428 /opt/venv/lib/python3.12/site-packages/_pytest/cacheprovider.py:428: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/nodeids config.cache.set("cache/nodeids", sorted(self.cached_nodeids)) ../venv/lib/python3.12/site-packages/_pytest/stepwise.py:49 /opt/venv/lib/python3.12/site-packages/_pytest/stepwise.py:49: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/stepwise session.config.cache.set(STEPWISE_CACHE_DIR, []) -- Docs: https://docs.pytest.org/en/stable/warnings.html ========= 58 passed, 1 deselected, 1469 warnings in 251.18s (0:04:11) ========== Summary: aiida-cp2k commit c6b973e works fine. Status: OK ---> Removed intermediate container 9407df3d50df ---> 554a049592c9 Step 42/43 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in da22bae1305a ---> Removed intermediate container da22bae1305a ---> 7250a9da9c67 Step 43/43 : ENTRYPOINT [] ---> Running in 35734b47e4c3 ---> Removed intermediate container 35734b47e4c3 ---> 29986076529e [Warning] One or more build-args [GIT_COMMIT_SHA SPACK_CACHE] were not consumed Successfully built 29986076529e Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-aiida:master Pushing new image... done. #################### Running Image cp2k-aiida #################### EndDate: 2025-12-07 06:23:10+00:00