StartDate: 2023-05-31 19:59:53+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: 4dc27d601c3e5b0826783d31464cb7b82f8cb647 CommitTime: 2023-05-31 16:12:51 +0200 CommitAuthor: Matthias Krack CommitSubject: Update arch files #################### Building Image cp2k-aiida #################### Dockerfile: /tools/docker/Dockerfile.test_aiida Build-Path: / Build-Args: GIT_COMMIT_SHA=4dc27d601c3e5b0826783d31464cb7b82f8cb647 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 370.9MB Step 1/41 : FROM ubuntu:22.04 22.04: Pulling from library/ubuntu dbf6a9befcde: Pulling fs layer dbf6a9befcde: Verifying Checksum dbf6a9befcde: Download complete dbf6a9befcde: Pull complete Digest: sha256:dfd64a3b4296d8c9b62aa3309984f8620b98d87e47492599ee20739e8eb54fbf Status: Downloaded newer image for ubuntu:22.04 ---> 3b418d7b466a Step 2/41 : WORKDIR /opt/cp2k-toolchain ---> Using cache ---> 619f01a4797f Step 3/41 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> Using cache ---> 0fd24d6c852f Step 4/41 : RUN ./install_requirements.sh ubuntu:22.04 ---> Using cache ---> e7e4b42ee3f5 Step 5/41 : RUN mkdir scripts ---> Using cache ---> 0a29c146d904 Step 6/41 : 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 ---> 509d20118c77 Step 7/41 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> Using cache ---> 6439e74b3eed Step 8/41 : RUN ./install_cp2k_toolchain.sh --install-all --with-gcc=system --dry-run ---> Using cache ---> eb25a197c011 Step 9/41 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> Using cache ---> 99358388ec15 Step 10/41 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Using cache ---> ce1ab1b124db Step 11/41 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> Using cache ---> edb0e447fae4 Step 12/41 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Using cache ---> 4fed8f846752 Step 13/41 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> Using cache ---> 790fb3f9852e Step 14/41 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Using cache ---> d3f3df99faae Step 15/41 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> Using cache ---> 1c5731343d77 Step 16/41 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Using cache ---> bcd3851c1a0d Step 17/41 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> Using cache ---> 93a1498f5f7e Step 18/41 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Using cache ---> e42098060d4e Step 19/41 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> Using cache ---> 91ad51a4d9c4 Step 20/41 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Using cache ---> 340ef2e4d182 Step 21/41 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> Using cache ---> 95ca16df110d Step 22/41 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Using cache ---> c4549534df56 Step 23/41 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> Using cache ---> 02386ccc1507 Step 24/41 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Using cache ---> 775597c36ab9 Step 25/41 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> Using cache ---> 6df1445a448b Step 26/41 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Using cache ---> 275038e1cf2a Step 27/41 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> Using cache ---> 62b935fe4c37 Step 28/41 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Using cache ---> 175d6b22a389 Step 29/41 : WORKDIR /opt/cp2k ---> Using cache ---> bb6d68503a80 Step 30/41 : COPY ./Makefile . ---> Using cache ---> d47cc02c4b1d Step 31/41 : COPY ./src ./src ---> Using cache ---> 96f7294de867 Step 32/41 : COPY ./exts ./exts ---> Using cache ---> 31b37317b0dd Step 33/41 : COPY ./tools/build_utils ./tools/build_utils ---> Using cache ---> bc2aa83d0256 Step 34/41 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/ && echo 'Compiling cp2k...' && source /opt/cp2k-toolchain/install/setup && ( make -j ARCH=local VERSION=sdbg &> /dev/null || true ) && rm -rf lib obj" ---> Using cache ---> 614ec7d74d82 Step 35/41 : COPY ./data ./data ---> Using cache ---> d508c97c1c1b Step 36/41 : COPY ./tests ./tests ---> Using cache ---> 1e590d0ec76d Step 37/41 : COPY ./tools/regtesting ./tools/regtesting ---> Using cache ---> ef1be9c9b6e9 Step 38/41 : COPY ./tools/docker/scripts/test_aiida.sh . ---> 756a91d6de46 Step 39/41 : RUN ./test_aiida.sh 2>&1 | tee report.log ---> Running in 875482cb663f ========== Compiling CP2K ========== Compiling cp2k... done. ========== Installing Dependencies ========== debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package cron. 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Generating locales (this might take a while)... Generation complete. Setting up tzdata (2023c-0ubuntu0.22.04.2) ... Current default time zone: 'Etc/UTC' Local time is now: Wed May 31 20:07:36 UTC 2023. Universal Time is now: Wed May 31 20:07:36 UTC 2023. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up python3-six (1.16.0-3ubuntu1) ... Setting up erlang-parsetools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libexpat1-dev:amd64 (2.4.7-1ubuntu0.2) ... Setting up libwrap0:amd64 (7.6.q-31build2) ... Setting up ssl-cert (1.1.2) ... Setting up socat (1.7.4.1-3ubuntu4) ... Setting up libssl-dev:amd64 (3.0.2-0ubuntu1.10) ... Setting up sudo (1.9.9-1ubuntu2.4) ... Setting up libpython3.10-dev:amd64 (3.10.6-1~22.04.2ubuntu1) ... Setting up ucf (3.0043) ... Setting up erlang-asn1 (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-tftp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up python3.10-dev (3.10.6-1~22.04.2ubuntu1) ... Setting up libmd0:amd64 (1.0.4-1build1) ... Setting up libjson-perl (4.04000-1) ... Setting up libxslt1.1:amd64 (1.1.34-4ubuntu0.22.04.1) ... Setting up erlang-mnesia (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up netbase (6.3) ... Setting up libjs-jquery (3.6.0+dfsg+~3.5.13-1) ... Setting up erlang-crypto (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libfido2-1:amd64 (1.10.0-1) ... Setting up libbsd0:amd64 (0.11.5-1) ... Setting up python3-lib2to3 (3.10.6-1~22.04) ... Setting up libjs-underscore (1.13.2~dfsg-2) ... Setting up libpopt0:amd64 (1.18-3build1) ... Setting up python3-distutils (3.10.6-1~22.04) ... Setting up logrotate (3.19.0-1ubuntu1.1) ... Setting up postgresql-client-common (238) ... Setting up libpython3-dev:amd64 (3.10.6-1~22.04) ... Setting up python3-setuptools (59.6.0-1.2ubuntu0.22.04.1) ... Setting up python3-reentry (1.3.2-1) ... Setting up erlang-runtime-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libedit2:amd64 (3.1-20210910-1build1) ... Setting up erlang-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libpq-dev (14.8-0ubuntu0.22.04.1) ... Setting up postgresql-client-14 (14.8-0ubuntu0.22.04.1) ... update-alternatives: using /usr/share/postgresql/14/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up python3-wheel (0.37.1-2ubuntu0.22.04.1) ... Setting up erlang-snmp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-public-key (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql-common (238) ... Adding user postgres to group ssl-cert Creating config file /etc/postgresql-common/createcluster.conf with new version Building PostgreSQL dictionaries from installed myspell/hunspell packages... Removing obsolete dictionary files: Setting up python3-pip (22.0.2+dfsg-1ubuntu0.2) ... Setting up libjs-sphinxdoc (4.3.2-1) ... Setting up libllvm14:amd64 (1:14.0.0-1ubuntu1) ... Setting up erlang-ssl (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql-14 (14.8-0ubuntu0.22.04.1) ... Creating new PostgreSQL cluster 14/main ... /usr/lib/postgresql/14/bin/initdb -D /var/lib/postgresql/14/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/14/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 update-alternatives: using /usr/share/postgresql/14/man/man1/postmaster.1.gz to provide /usr/share/man/man1/postmaster.1.gz (postmaster.1.gz) in auto mode invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up openssh-client (1:8.9p1-3ubuntu0.1) ... update-alternatives: using /usr/bin/ssh to provide /usr/bin/rsh (rsh) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rsh.1.gz because associated file /usr/share/man/man1/ssh.1.gz (of link group rsh) doesn't exist update-alternatives: using /usr/bin/slogin to provide /usr/bin/rlogin (rlogin) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rlogin.1.gz because associated file /usr/share/man/man1/slogin.1.gz (of link group rlogin) doesn't exist update-alternatives: using /usr/bin/scp to provide /usr/bin/rcp (rcp) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rcp.1.gz because associated file /usr/share/man/man1/scp.1.gz (of link group rcp) doesn't exist Setting up erlang-os-mon (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-eldap (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up python3-dev (3.10.6-1~22.04) ... Setting up erlang-ftp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql (14+238) ... Setting up openssh-sftp-server (1:8.9p1-3ubuntu0.1) ... Setting up openssh-server (1:8.9p1-3ubuntu0.1) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:8+RENqIvcVp1ePArECIuw4GZV8V+r7pXzgCqESLND5c root@875482cb663f (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:tELHuNLBbD4K7CFUgY2KEB/cCByWxmcaab8aGFIMVgA root@875482cb663f (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:PoKWlrA0RqyFdQ+vqK58uGlBDiJGlhtbYqM05iXH4fk root@875482cb663f (ED25519) invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up erlang-inets (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up rabbitmq-server (3.9.13-1ubuntu0.22.04.1) ... Adding group `rabbitmq' (GID 106) ... Done. Adding system user `rabbitmq' (UID 104) ... Adding new user `rabbitmq' (UID 104) with group `rabbitmq' ... Not creating home directory `/var/lib/rabbitmq'. invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up ssh (1:8.9p1-3ubuntu0.1) ... Processing triggers for libc-bin (2.35-0ubuntu3.1) ... ./test_aiida.sh: line 40: 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. Adding user `ubuntu' ... Adding new group `ubuntu' (1000) ... Adding new user `ubuntu' (1000) with group `ubuntu' ... Creating home directory `/home/ubuntu' ... Copying files from `/etc/skel' ... ========== 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 cp2k-output-tools Downloading cp2k_output_tools-0.5.0-py3-none-any.whl (22 kB) Collecting aiida-core<3.0.0,>=2.0.0 Downloading aiida_core-2.3.1-py3-none-any.whl (1.3 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.3/1.3 MB 20.7 MB/s eta 0:00:00 Collecting aiida-gaussian-datatypes Downloading aiida_gaussian_datatypes-0.5.1-py3-none-any.whl (25 kB) Collecting ruamel.yaml>=0.16.5 Downloading ruamel.yaml-0.17.31-py3-none-any.whl (112 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 112.1/112.1 KB 18.5 MB/s eta 0:00:00 Collecting ase Downloading ase-3.22.1-py3-none-any.whl (2.2 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 2.2/2.2 MB 82.2 MB/s eta 0:00:00 Collecting pgtest~=1.3 Downloading pgtest-1.3.2-py2.py3-none-any.whl (9.1 kB) Collecting pytest-cov~=2.11.1 Downloading pytest_cov-2.11.1-py2.py3-none-any.whl (20 kB) Collecting pytest~=6.0 Downloading pytest-6.2.5-py3-none-any.whl (280 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 280.7/280.7 KB 44.2 MB/s eta 0:00:00 Collecting pre-commit~=2.19 Downloading pre_commit-2.21.0-py2.py3-none-any.whl (201 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 201.9/201.9 KB 35.3 MB/s eta 0:00:00 Collecting bumpver==2022.1119 Downloading bumpver-2022.1119-py2.py3-none-any.whl (56 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 56.9/56.9 KB 11.5 MB/s eta 0:00:00 Collecting coverage Downloading coverage-7.2.7-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (228 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 228.7/228.7 KB 1.4 MB/s eta 0:00:00 Requirement already satisfied: click in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (8.0.3) Collecting pathlib2 Downloading pathlib2-2.3.7.post1-py2.py3-none-any.whl (18 kB) Requirement already satisfied: colorama>=0.4 in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (0.4.4) Collecting toml Downloading toml-0.10.2-py2.py3-none-any.whl (16 kB) Collecting lexid Downloading lexid-2021.1006-py2.py3-none-any.whl (7.6 kB) Requirement already satisfied: setuptools>=45.0.0 in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (59.6.0) Collecting click-spinner~=0.1.8 Downloading click_spinner-0.1.10-py2.py3-none-any.whl (4.0 kB) Collecting kiwipy[rmq]~=0.7.7 Downloading kiwipy-0.7.7-py3-none-any.whl (29 kB) Collecting tabulate~=0.8.5 Downloading tabulate-0.8.10-py3-none-any.whl (29 kB) Collecting tqdm~=4.45 Downloading tqdm-4.65.0-py3-none-any.whl (77 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 77.1/77.1 KB 13.9 MB/s eta 0:00:00 Collecting docstring-parser Downloading docstring_parser-0.15-py3-none-any.whl (36 kB) Collecting graphviz~=0.19 Downloading graphviz-0.20.1-py3-none-any.whl (47 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 47.0/47.0 KB 9.1 MB/s eta 0:00:00 Collecting sqlalchemy~=1.4.22 Downloading SQLAlchemy-1.4.48-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 83.4 MB/s eta 0:00:00 Collecting jinja2~=3.0 Downloading Jinja2-3.1.2-py3-none-any.whl (133 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 133.1/133.1 KB 23.3 MB/s eta 0:00:00 Collecting alembic~=1.2 Downloading alembic-1.11.1-py3-none-any.whl (224 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 224.5/224.5 KB 36.8 MB/s eta 0:00:00 Collecting psycopg2-binary~=2.8 Downloading psycopg2_binary-2.9.6-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.0 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 118.5 MB/s eta 0:00:00 Collecting psutil~=5.6 Downloading psutil-5.9.5-cp36-abi3-manylinux_2_12_x86_64.manylinux2010_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (282 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 282.1/282.1 KB 33.1 MB/s eta 0:00:00 Collecting ipython<9,>=7 Downloading ipython-8.13.2-py3-none-any.whl (797 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 797.7/797.7 KB 64.3 MB/s eta 0:00:00 Collecting importlib-metadata~=4.13 Downloading importlib_metadata-4.13.0-py3-none-any.whl (23 kB) Collecting wrapt~=1.11 Downloading wrapt-1.15.0-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (78 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 78.4/78.4 KB 19.6 MB/s eta 0:00:00 Collecting plumpy~=0.21.6 Downloading plumpy-0.21.7-py3-none-any.whl (73 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 73.5/73.5 KB 14.5 MB/s eta 0:00:00 Collecting disk-objectstore~=0.6.0 Downloading disk_objectstore-0.6.0-py3-none-any.whl (64 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 64.9/64.9 KB 12.8 MB/s eta 0:00:00 Collecting click Downloading click-8.1.3-py3-none-any.whl (96 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 96.6/96.6 KB 18.7 MB/s eta 0:00:00 Collecting numpy~=1.19 Downloading numpy-1.24.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (17.3 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 17.3/17.3 MB 90.1 MB/s eta 0:00:00 Collecting circus~=0.18.0 Downloading circus-0.18.0-py3-none-any.whl (200 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 200.6/200.6 KB 32.4 MB/s eta 0:00:00 Collecting upf_to_json~=0.9.2 Downloading upf_to_json-0.9.5-py3-none-any.whl (12 kB) Collecting jsonschema~=3.0 Downloading jsonschema-3.2.0-py2.py3-none-any.whl (56 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 56.3/56.3 KB 10.5 MB/s eta 0:00:00 Collecting pyyaml~=6.0 Downloading PyYAML-6.0-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_12_x86_64.manylinux2010_x86_64.whl (682 kB) 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/root/.cache/pip/wheels/f5/4d/c5/96aec96e5895bbad36e5a2f8f744774ccd9991aebbc95ebb6f Building wheel for pgsu (pyproject.toml): started Building wheel for pgsu (pyproject.toml): finished with status 'done' Created wheel for pgsu: filename=pgsu-0.2.3-py3-none-any.whl size=8899 sha256=e328ab77276ab6edbdf98ff7cc651bbf47e71081acde25a23cd0fb747db1e518 Stored in directory: /root/.cache/pip/wheels/2b/59/ca/c012ffa6234eecc59f1f29afad1a4e24d792d54a05afcf7c47 Successfully built aiida-cp2k pgsu Installing collected packages: wcwidth, upf_to_json, regex, pytz, pure-eval, ptyprocess, pickleshare, pamqp, executing, distlib, click-spinner, backcall, asn1crypto, zipp, wrapt, urllib3, typing-extensions, transitions, traitlets, tqdm, tornado, toml, tabulate, shortuuid, scramp, ruamel.yaml.clib, pyzmq, pyyaml, python-dateutil, pyrsistent, pyparsing, pygments, pycparser, py, psycopg2-binary, psutil, prompt-toolkit, pluggy, platformdirs, pillow, pexpect, pathlib2, parso, packaging, numpy, nodeenv, nest_asyncio, multidict, MarkupSafe, lexid, kiwisolver, iniconfig, idna, identify, greenlet, graphviz, fonttools, filelock, docstring-parser, decorator, cycler, coverage, click, charset-normalizer, cfgv, certifi, bcrypt, attrs, async-generator, asttokens, archive-path, yarl, virtualenv, stack-data, sqlalchemy, scipy, ruamel.yaml, requests, pytest, pydantic, pint, pgsu, pg8000, matplotlib-inline, Mako, jsonschema, jinja2, jedi, importlib-metadata, deprecation, cp2k-output-tools, contourpy, circus, cffi, bumpver, pytray, pytest-cov, pynacl, pre-commit, pgtest, matplotlib, ipython, disk-objectstore, cryptography, cp2k-input-tools, alembic, aiormq, paramiko, kiwipy, ase, aio-pika, plumpy, aiida-core, aiida-gaussian-datatypes, aiida-cp2k Attempting uninstall: click Found existing installation: click 8.0.3 Not uninstalling click at /usr/lib/python3/dist-packages, outside environment /usr Can't uninstall 'click'. No files were found to uninstall. Successfully installed Mako-1.2.4 MarkupSafe-2.1.2 aiida-core-2.3.1 aiida-cp2k-2.0.0 aiida-gaussian-datatypes-0.5.1 aio-pika-6.8.1 aiormq-3.3.1 alembic-1.11.1 archive-path-0.4.2 ase-3.22.1 asn1crypto-1.5.1 asttokens-2.2.1 async-generator-1.10 attrs-23.1.0 backcall-0.2.0 bcrypt-4.0.1 bumpver-2022.1119 certifi-2023.5.7 cffi-1.15.1 cfgv-3.3.1 charset-normalizer-3.1.0 circus-0.18.0 click-8.1.3 click-spinner-0.1.10 contourpy-1.0.7 coverage-7.2.7 cp2k-input-tools-0.8.2 cp2k-output-tools-0.5.0 cryptography-41.0.0 cycler-0.11.0 decorator-5.1.1 deprecation-2.1.0 disk-objectstore-0.6.0 distlib-0.3.6 docstring-parser-0.15 executing-1.2.0 filelock-3.12.0 fonttools-4.39.4 graphviz-0.20.1 greenlet-2.0.2 identify-2.5.24 idna-3.4 importlib-metadata-4.13.0 iniconfig-2.0.0 ipython-8.13.2 jedi-0.18.2 jinja2-3.1.2 jsonschema-3.2.0 kiwipy-0.7.7 kiwisolver-1.4.4 lexid-2021.1006 matplotlib-3.7.1 matplotlib-inline-0.1.6 multidict-6.0.4 nest_asyncio-1.5.6 nodeenv-1.8.0 numpy-1.24.3 packaging-23.1 pamqp-2.3.0 paramiko-2.12.0 parso-0.8.3 pathlib2-2.3.7.post1 pexpect-4.8.0 pg8000-1.29.6 pgsu-0.2.3 pgtest-1.3.2 pickleshare-0.7.5 pillow-9.5.0 pint-0.17 platformdirs-3.5.1 pluggy-1.0.0 plumpy-0.21.7 pre-commit-2.21.0 prompt-toolkit-3.0.38 psutil-5.9.5 psycopg2-binary-2.9.6 ptyprocess-0.7.0 pure-eval-0.2.2 py-1.11.0 pycparser-2.21 pydantic-1.10.8 pygments-2.15.1 pynacl-1.5.0 pyparsing-3.0.9 pyrsistent-0.19.3 pytest-6.2.5 pytest-cov-2.11.1 python-dateutil-2.8.2 pytray-0.3.4 pytz-2021.3 pyyaml-6.0 pyzmq-25.1.0 regex-2021.11.10 requests-2.31.0 ruamel.yaml-0.17.31 ruamel.yaml.clib-0.2.7 scipy-1.10.1 scramp-1.4.4 shortuuid-1.0.11 sqlalchemy-1.4.48 stack-data-0.6.2 tabulate-0.8.10 toml-0.10.2 tornado-6.3.2 tqdm-4.65.0 traitlets-5.9.0 transitions-0.7.2 typing-extensions-4.6.2 upf_to_json-0.9.5 urllib3-2.0.2 virtualenv-20.23.0 wcwidth-0.2.6 wrapt-1.15.0 yarl-1.9.2 zipp-3.15.0 WARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv ========== Configuring AiiDA ========== * Starting RabbitMQ Messaging Server rabbitmq-server ...done. * Starting PostgreSQL 14 database server ...done. ========== Running AiiDA-CP2K Tests ========== ============================= test session starts ============================== platform linux -- Python 3.10.6, pytest-6.2.5, py-1.11.0, pluggy-1.0.0 rootdir: /opt/aiida-cp2k, configfile: pyproject.toml plugins: cov-2.11.1 collected 40 items examples/gaussian_datatypes/example_automatic.py . [ 2%] examples/gaussian_datatypes/example_explicit.py . [ 5%] examples/single_calculations/example_bands.py . [ 7%] examples/single_calculations/example_dft.py . [ 10%] examples/single_calculations/example_dft_atomic_kinds.py . [ 12%] examples/single_calculations/example_failure.py . [ 15%] examples/single_calculations/example_geopt.py . [ 17%] examples/single_calculations/example_max_error.py . [ 20%] examples/single_calculations/example_mm.py . [ 22%] examples/single_calculations/example_multiple_force_eval.py . [ 25%] examples/single_calculations/example_no_struct.py . [ 27%] examples/single_calculations/example_precision.py . [ 30%] examples/single_calculations/example_restart.py . [ 32%] examples/single_calculations/example_structure_through_file.py . [ 35%] examples/workchains/example_base_energy_restart.py . [ 37%] examples/workchains/example_base_failed_restart.py . [ 40%] examples/workchains/example_base_geoopt_restart.py . [ 42%] test/test_gaussian_datatypes.py ........ [ 62%] test/test_input_generator.py ......... [ 85%] test/test_parser.py ..... [ 97%] test/test_xyz.py . [100%] =============================== warnings summary =============================== ../../usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59 /usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59: UserWarning: Creating AiiDA configuration folder `/home/ubuntu/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') examples/gaussian_datatypes/example_automatic.py::example_gdt /usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59: UserWarning: Creating AiiDA configuration folder `/tmp/pytest-of-ubuntu/pytest-0/config0/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') ../../usr/local/lib/python3.10/dist-packages/_pytest/cacheprovider.py:428 /usr/local/lib/python3.10/dist-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)) ../../usr/local/lib/python3.10/dist-packages/_pytest/stepwise.py:49 /usr/local/lib/python3.10/dist-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 ================== 40 passed, 4 warnings in 304.86s (0:05:04) ================== Summary: aiida-cp2k commit 3807418 works fine. Status: OK Removing intermediate container 875482cb663f ---> 05d5a2d5199f Step 40/41 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in ba584194521f Removing intermediate container ba584194521f ---> c0bc9fdba411 Step 41/41 : ENTRYPOINT [] ---> Running in bfeac2de7a61 Removing intermediate container bfeac2de7a61 ---> 1a7351dfd774 [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built 1a7351dfd774 Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-aiida:master Pushing new image... done. #################### Running Image cp2k-aiida #################### EndDate: 2023-05-31 20:16:53+00:00