StartDate: 2021-05-14 11:02:14+00:00 CpuId: 8x Intel Xeon W 2000 / Scalable Bronze 3000 / Silver 4000 / Gold 5000 / 6000 / Platinum 8000 (Skylake), 14nm CommitSHA: d1bae2796f8b0f5158495e0858570007f519b8eb CommitTime: 2021-05-14 00:06:29 +0200 CommitAuthor: Frederick Stein CommitSubject: Adjust arch files to removed SRLDA functional Trying to pull image cp2k-toolchain-mpich... success :-) Trying to pull image cp2k-aiida... image not found. #################### Building Image cp2k-aiida #################### Dockerfile: /tools/docker/Dockerfile.test_aiida Build-Args: TOOLCHAIN=gcr.io/cp2k-org-project/img_cp2k-toolchain-mpich-arch-f73:gittree-204a562-buildargs-68b329d Sending build context to Docker daemon 74.24kB Step 1/10 : ARG TOOLCHAIN=cp2k/toolchain:latest Step 2/10 : FROM ${TOOLCHAIN} ---> e8188bda95cc Step 3/10 : WORKDIR /workspace ---> Running in ca74069f16eb Removing intermediate container ca74069f16eb ---> 2f11704be4e3 Step 4/10 : COPY ./scripts/install_basics.sh . ---> 75db2b6f90f7 Step 5/10 : RUN ./install_basics.sh ---> Running in 045c30630d33 Installing Ubuntu packages... debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpopt0:amd64. (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 ... 14718 files and directories currently installed.) Preparing to unpack .../libpopt0_1.16-14_amd64.deb ... Unpacking libpopt0:amd64 (1.16-14) ... Selecting previously unselected package rsync. Preparing to unpack .../rsync_3.1.3-8_amd64.deb ... Unpacking rsync (3.1.3-8) ... Setting up libpopt0:amd64 (1.16-14) ... Setting up rsync (3.1.3-8) ... invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Processing triggers for libc-bin (2.31-0ubuntu9.2) ... done. Cloning cp2k repository... done. Removing intermediate container 045c30630d33 ---> 6fe581dc17b6 Step 6/10 : ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8" ---> Running in dc8da03286e9 Removing intermediate container dc8da03286e9 ---> ffefceba2b7a Step 7/10 : COPY ./scripts/install_aiida.sh . ---> 827d57a55fd4 Step 8/10 : RUN ./install_aiida.sh ---> Running in 82ea62596f09 /bin/bash: warning: setlocale: LC_ALL: cannot change locale (en_US.UTF-8) perl: warning: Setting locale failed. perl: warning: Please check that your locale settings: LANGUAGE = "en_US:en", LC_ALL = "en_US.UTF-8", LANG = "en_US.UTF-8" are supported and installed on your system. perl: warning: Falling back to the standard locale ("C"). debconf: delaying package configuration, since apt-utils is not installed 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 ... 14754 files and directories currently installed.) Preparing to unpack .../00-cron_3.0pl1-136ubuntu1_amd64.deb ... Unpacking cron (3.0pl1-136ubuntu1) ... Selecting previously unselected package libbsd0:amd64. Preparing to unpack .../01-libbsd0_0.10.0-1_amd64.deb ... Unpacking libbsd0:amd64 (0.10.0-1) ... Selecting previously unselected package libedit2:amd64. Preparing to unpack .../02-libedit2_3.1-20191231-1_amd64.deb ... Unpacking libedit2:amd64 (3.1-20191231-1) ... Selecting previously unselected package libcbor0.6:amd64. Preparing to unpack .../03-libcbor0.6_0.6.0-0ubuntu1_amd64.deb ... Unpacking libcbor0.6:amd64 (0.6.0-0ubuntu1) ... Selecting previously unselected package libfido2-1:amd64. Preparing to unpack .../04-libfido2-1_1.3.1-1ubuntu2_amd64.deb ... Unpacking libfido2-1:amd64 (1.3.1-1ubuntu2) ... Selecting previously unselected package openssh-client. Preparing to unpack .../05-openssh-client_1%3a8.2p1-4ubuntu0.2_amd64.deb ... Unpacking openssh-client (1:8.2p1-4ubuntu0.2) ... Selecting previously unselected package openssh-sftp-server. Preparing to unpack .../06-openssh-sftp-server_1%3a8.2p1-4ubuntu0.2_amd64.deb ... Unpacking openssh-sftp-server (1:8.2p1-4ubuntu0.2) ... Selecting previously unselected package ucf. Preparing to unpack .../07-ucf_3.0038+nmu1_all.deb ... Moving old data out of the way Unpacking ucf (3.0038+nmu1) ... Selecting previously unselected package libwrap0:amd64. Preparing to unpack .../08-libwrap0_7.6.q-30_amd64.deb ... Unpacking libwrap0:amd64 (7.6.q-30) ... Selecting previously unselected package openssh-server. Preparing to unpack .../09-openssh-server_1%3a8.2p1-4ubuntu0.2_amd64.deb ... Unpacking openssh-server (1:8.2p1-4ubuntu0.2) ... Selecting previously unselected package ssh. Preparing to unpack .../10-ssh_1%3a8.2p1-4ubuntu0.2_all.deb ... Unpacking ssh (1:8.2p1-4ubuntu0.2) ... Selecting previously unselected package logrotate. Preparing to unpack .../11-logrotate_3.14.0-4ubuntu3_amd64.deb ... Unpacking logrotate (3.14.0-4ubuntu3) ... Selecting previously unselected package netbase. Preparing to unpack .../12-netbase_6.1_all.deb ... Unpacking netbase (6.1) ... Selecting previously unselected package python3-pkg-resources. Preparing to unpack .../13-python3-pkg-resources_45.2.0-1_all.deb ... Unpacking python3-pkg-resources (45.2.0-1) ... Selecting previously unselected package sudo. Preparing to unpack .../14-sudo_1.8.31-1ubuntu1.2_amd64.deb ... Unpacking sudo (1.8.31-1ubuntu1.2) ... Selecting previously unselected package erlang-base. Preparing to unpack .../15-erlang-base_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-base (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-asn1. Preparing to unpack .../16-erlang-asn1_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-asn1 (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-crypto. Preparing to unpack .../17-erlang-crypto_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-crypto (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-public-key. Preparing to unpack .../18-erlang-public-key_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-public-key (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-mnesia. Preparing to unpack .../19-erlang-mnesia_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-mnesia (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-runtime-tools. Preparing to unpack .../20-erlang-runtime-tools_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-runtime-tools (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-ssl. Preparing to unpack .../21-erlang-ssl_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-ssl (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-eldap. Preparing to unpack .../22-erlang-eldap_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-eldap (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-ftp. Preparing to unpack .../23-erlang-ftp_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-ftp (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-tftp. Preparing to unpack .../24-erlang-tftp_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-tftp (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-inets. Preparing to unpack .../25-erlang-inets_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-inets (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-snmp. Preparing to unpack .../26-erlang-snmp_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-snmp (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-os-mon. Preparing to unpack .../27-erlang-os-mon_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-os-mon (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-parsetools. Preparing to unpack .../28-erlang-parsetools_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-parsetools (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-syntax-tools. Preparing to unpack .../29-erlang-syntax-tools_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-syntax-tools (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-tools. Preparing to unpack .../30-erlang-tools_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-tools (1:22.2.7+dfsg-1) ... Selecting previously unselected package erlang-xmerl. Preparing to unpack .../31-erlang-xmerl_1%3a22.2.7+dfsg-1_amd64.deb ... Unpacking erlang-xmerl (1:22.2.7+dfsg-1) ... Selecting previously unselected package libexpat1-dev:amd64. Preparing to unpack .../32-libexpat1-dev_2.2.9-1build1_amd64.deb ... Unpacking libexpat1-dev:amd64 (2.2.9-1build1) ... Selecting previously unselected package libllvm10:amd64. Preparing to unpack .../33-libllvm10_1%3a10.0.0-4ubuntu1_amd64.deb ... Unpacking libllvm10:amd64 (1:10.0.0-4ubuntu1) ... Selecting previously unselected package libpq5:amd64. Preparing to unpack .../34-libpq5_12.6-0ubuntu0.20.04.1_amd64.deb ... Unpacking libpq5:amd64 (12.6-0ubuntu0.20.04.1) ... Selecting previously unselected package libpython3.8:amd64. Preparing to unpack .../35-libpython3.8_3.8.5-1~20.04.2_amd64.deb ... Unpacking libpython3.8:amd64 (3.8.5-1~20.04.2) ... Selecting previously unselected package libpython3.8-dev:amd64. Preparing to unpack .../36-libpython3.8-dev_3.8.5-1~20.04.2_amd64.deb ... Unpacking libpython3.8-dev:amd64 (3.8.5-1~20.04.2) ... Selecting previously unselected package libpython3-dev:amd64. Preparing to unpack .../37-libpython3-dev_3.8.2-0ubuntu2_amd64.deb ... Unpacking libpython3-dev:amd64 (3.8.2-0ubuntu2) ... Selecting previously unselected package libxslt1.1:amd64. Preparing to unpack .../38-libxslt1.1_1.1.34-4_amd64.deb ... Unpacking libxslt1.1:amd64 (1.1.34-4) ... Selecting previously unselected package locales-all. Preparing to unpack .../39-locales-all_2.31-0ubuntu9.2_amd64.deb ... Unpacking locales-all (2.31-0ubuntu9.2) ... Selecting previously unselected package postgresql-client-common. Preparing to unpack .../40-postgresql-client-common_214ubuntu0.1_all.deb ... Unpacking postgresql-client-common (214ubuntu0.1) ... Selecting previously unselected package postgresql-client-12. Preparing to unpack .../41-postgresql-client-12_12.6-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-client-12 (12.6-0ubuntu0.20.04.1) ... Selecting previously unselected package ssl-cert. Preparing to unpack .../42-ssl-cert_1.0.39_all.deb ... Unpacking ssl-cert (1.0.39) ... Selecting previously unselected package postgresql-common. Preparing to unpack .../43-postgresql-common_214ubuntu0.1_all.deb ... Adding 'diversion of /usr/bin/pg_config to /usr/bin/pg_config.libpq-dev by postgresql-common' Unpacking postgresql-common (214ubuntu0.1) ... Selecting previously unselected package postgresql-12. Preparing to unpack .../44-postgresql-12_12.6-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-12 (12.6-0ubuntu0.20.04.1) ... Selecting previously unselected package postgresql. Preparing to unpack .../45-postgresql_12+214ubuntu0.1_all.deb ... Unpacking postgresql (12+214ubuntu0.1) ... Selecting previously unselected package python-pip-whl. Preparing to unpack .../46-python-pip-whl_20.0.2-5ubuntu1.4_all.deb ... Unpacking python-pip-whl (20.0.2-5ubuntu1.4) ... Selecting previously unselected package python3.8-dev. Preparing to unpack .../47-python3.8-dev_3.8.5-1~20.04.2_amd64.deb ... Unpacking python3.8-dev (3.8.5-1~20.04.2) ... Selecting previously unselected package python3-lib2to3. Preparing to unpack .../48-python3-lib2to3_3.8.5-1~20.04.1_all.deb ... Unpacking python3-lib2to3 (3.8.5-1~20.04.1) ... Selecting previously unselected package python3-distutils. Preparing to unpack .../49-python3-distutils_3.8.5-1~20.04.1_all.deb ... Unpacking python3-distutils (3.8.5-1~20.04.1) ... Selecting previously unselected package python3-dev. Preparing to unpack .../50-python3-dev_3.8.2-0ubuntu2_amd64.deb ... Unpacking python3-dev (3.8.2-0ubuntu2) ... Selecting previously unselected package python3-setuptools. Preparing to unpack .../51-python3-setuptools_45.2.0-1_all.deb ... Unpacking python3-setuptools (45.2.0-1) ... Selecting previously unselected package python3-wheel. Preparing to unpack .../52-python3-wheel_0.34.2-1_all.deb ... Unpacking python3-wheel (0.34.2-1) ... Selecting previously unselected package python3-pip. Preparing to unpack .../53-python3-pip_20.0.2-5ubuntu1.4_all.deb ... Unpacking python3-pip (20.0.2-5ubuntu1.4) ... Selecting previously unselected package socat. Preparing to unpack .../54-socat_1.7.3.3-2_amd64.deb ... Unpacking socat (1.7.3.3-2) ... Selecting previously unselected package rabbitmq-server. Preparing to unpack .../55-rabbitmq-server_3.8.2-0ubuntu1.2_all.deb ... Unpacking rabbitmq-server (3.8.2-0ubuntu1.2) ... Setting up python3-pkg-resources (45.2.0-1) ... Setting up erlang-base (1:22.2.7+dfsg-1) ... Searching for services which depend on erlang and should be started... none found. Setting up erlang-xmerl (1:22.2.7+dfsg-1) ... Setting up cron (3.0pl1-136ubuntu1) ... Adding group `crontab' (GID 102) ... Done. invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up libpq5:amd64 (12.6-0ubuntu0.20.04.1) ... Setting up erlang-syntax-tools (1:22.2.7+dfsg-1) ... Setting up libcbor0.6:amd64 (0.6.0-0ubuntu1) ... Setting up python3-wheel (0.34.2-1) ... Setting up locales-all (2.31-0ubuntu9.2) ... Setting up erlang-parsetools (1:22.2.7+dfsg-1) ... Setting up libexpat1-dev:amd64 (2.2.9-1build1) ... Setting up libwrap0:amd64 (7.6.q-30) ... Setting up ssl-cert (1.0.39) ... Setting up libpython3.8:amd64 (3.8.5-1~20.04.2) ... Setting up socat (1.7.3.3-2) ... Setting up sudo (1.8.31-1ubuntu1.2) ... Setting up ucf (3.0038+nmu1) ... Setting up erlang-asn1 (1:22.2.7+dfsg-1) ... Setting up erlang-tftp (1:22.2.7+dfsg-1) ... Setting up libxslt1.1:amd64 (1.1.34-4) ... Setting up erlang-mnesia (1:22.2.7+dfsg-1) ... Setting up netbase (6.1) ... Setting up python-pip-whl (20.0.2-5ubuntu1.4) ... Setting up erlang-crypto (1:22.2.7+dfsg-1) ... Setting up libfido2-1:amd64 (1.3.1-1ubuntu2) ... Setting up libbsd0:amd64 (0.10.0-1) ... Setting up python3-lib2to3 (3.8.5-1~20.04.1) ... Setting up python3-distutils (3.8.5-1~20.04.1) ... Setting up logrotate (3.14.0-4ubuntu3) ... Setting up postgresql-client-common (214ubuntu0.1) ... Setting up python3-setuptools (45.2.0-1) ... Setting up erlang-runtime-tools (1:22.2.7+dfsg-1) ... Setting up libedit2:amd64 (3.1-20191231-1) ... Setting up erlang-tools (1:22.2.7+dfsg-1) ... Setting up libllvm10:amd64 (1:10.0.0-4ubuntu1) ... Setting up erlang-snmp (1:22.2.7+dfsg-1) ... Setting up postgresql-client-12 (12.6-0ubuntu0.20.04.1) ... update-alternatives: using /usr/share/postgresql/12/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up libpython3.8-dev:amd64 (3.8.5-1~20.04.2) ... Setting up erlang-public-key (1:22.2.7+dfsg-1) ... Setting up postgresql-common (214ubuntu0.1) ... 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: invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up python3-pip (20.0.2-5ubuntu1.4) ... Setting up python3.8-dev (3.8.5-1~20.04.2) ... Setting up postgresql-12 (12.6-0ubuntu0.20.04.1) ... Creating new PostgreSQL cluster 12/main ... /usr/lib/postgresql/12/bin/initdb -D /var/lib/postgresql/12/main --auth-local peer --auth-host md5 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/12/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 Success. You can now start the database server using: pg_ctlcluster 12 main start Ver Cluster Port Status Owner Data directory Log file 12 main 5432 down postgres /var/lib/postgresql/12/main /var/log/postgresql/postgresql-12-main.log update-alternatives: using /usr/share/postgresql/12/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 erlang-ssl (1:22.2.7+dfsg-1) ... Setting up libpython3-dev:amd64 (3.8.2-0ubuntu2) ... Setting up openssh-client (1:8.2p1-4ubuntu0.2) ... Setting up erlang-os-mon (1:22.2.7+dfsg-1) ... Setting up erlang-eldap (1:22.2.7+dfsg-1) ... Setting up python3-dev (3.8.2-0ubuntu2) ... Setting up erlang-ftp (1:22.2.7+dfsg-1) ... Setting up postgresql (12+214ubuntu0.1) ... Setting up openssh-sftp-server (1:8.2p1-4ubuntu0.2) ... Setting up openssh-server (1:8.2p1-4ubuntu0.2) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:brf+NmFesHkU0fJn1w1Ik61bU0OGBZg7qs02Zp8dj/k root@82ea62596f09 (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:4I4D0EPbpAtc/UPgGFrFxfHj6PgSUupujt082tPUlsQ root@82ea62596f09 (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:WuHzmloDgV9NQ61jwXs1xMs69bO6kWK4rO0H2XcI4Xo root@82ea62596f09 (ED25519) invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up erlang-inets (1:22.2.7+dfsg-1) ... Setting up rabbitmq-server (3.8.2-0ubuntu1.2) ... 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 (1:8.2p1-4ubuntu0.2) ... Processing triggers for libc-bin (2.31-0ubuntu9.2) ... 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' ... './local.pdbg' -> '/opt/cp2k-toolchain/install/arch/local.pdbg' './local.psmp' -> '/opt/cp2k-toolchain/install/arch/local.psmp' './local.sdbg' -> '/opt/cp2k-toolchain/install/arch/local.sdbg' './local.ssmp' -> '/opt/cp2k-toolchain/install/arch/local.ssmp' './local_coverage.pdbg' -> '/opt/cp2k-toolchain/install/arch/local_coverage.pdbg' './local_valgrind.psmp' -> '/opt/cp2k-toolchain/install/arch/local_valgrind.psmp' './local_valgrind.ssmp' -> '/opt/cp2k-toolchain/install/arch/local_valgrind.ssmp' './local_warn.psmp' -> '/opt/cp2k-toolchain/install/arch/local_warn.psmp' Warming cache by trying to compile... done. Removing intermediate container 82ea62596f09 ---> 7bd8b01fcd60 Step 9/10 : COPY ./scripts/ci_entrypoint.sh ./scripts/test_aiida.sh ./ ---> 01f230a50955 Step 10/10 : CMD ["./ci_entrypoint.sh", "./test_aiida.sh"] ---> Running in c786367edb45 Removing intermediate container c786367edb45 ---> 1595237fc87e Successfully built 1595237fc87e Successfully tagged gcr.io/cp2k-org-project/img_cp2k-aiida-arch-f73:gittree-3b5c76b-buildargs-aa8b369 Pushing image cp2k-aiida... done. #################### Running Image cp2k-aiida #################### ========== Fetching Git Commit ========== CommitSHA: d1bae2796f8b0f5158495e0858570007f519b8eb CommitTime: 2021-05-14 00:06:29 +0200 CommitAuthor: Frederick Stein CommitSubject: Adjust arch files to removed SRLDA functional ========== Running Test ========== ========== Compiling CP2K ========== Compiling cp2k... done. ========== Installing AiiDA-CP2K plugin ========== Already up to date. 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 wheel metadata: started Preparing wheel metadata: finished with status 'done' Requirement already satisfied: cp2k-output-tools in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.3.1) Requirement already satisfied: aiida-gaussian-datatypes in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.4.0) Requirement already satisfied: aiida-core<2.0.0,>=1.1.0 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (1.6.3) Requirement already satisfied: ruamel.yaml>=0.16.5 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.17.4) Requirement already satisfied: ase in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (3.21.1) Requirement already satisfied: pgtest~=1.3; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (1.3.2) Requirement already satisfied: pytest~=6.0; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (6.2.4) Requirement already satisfied: coverage; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (5.5) Requirement already satisfied: pytest-cov~=2.11.1; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (2.11.1) Requirement already satisfied: regex<2021.0,>=2020.1 in /usr/local/lib/python3.8/dist-packages (from cp2k-output-tools->aiida-cp2k==1.3.0) (2020.11.13) Requirement already satisfied: numpy<2.0,>=1.19 in /usr/local/lib/python3.8/dist-packages (from cp2k-output-tools->aiida-cp2k==1.3.0) (1.20.3) Requirement already satisfied: voluptuous>=0.11.7 in /usr/local/lib/python3.8/dist-packages (from aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (0.12.1) Requirement already satisfied: archive-path~=0.2.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.1) Requirement already satisfied: django~=2.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.2.23) Requirement already satisfied: tqdm~=4.45 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (4.60.0) Requirement already satisfied: sqlalchemy-utils~=0.36.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.36.8) Requirement already satisfied: pyyaml~=5.1.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.1.2) Requirement already satisfied: tzlocal~=2.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.1) Requirement already satisfied: kiwipy[rmq]~=0.7.4 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.7.4) Requirement already satisfied: aldjemy~=0.9.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.9.1) Requirement already satisfied: paramiko>=2.7.2,~=2.7 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.7.2) Requirement already satisfied: aio-pika~=6.6 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (6.8.0) Requirement already satisfied: wrapt~=1.11.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.11.2) Requirement already satisfied: click-completion~=0.5.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.5.2) Requirement already satisfied: circus~=0.17.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.17.1) Requirement already satisfied: python-dateutil~=2.8 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.8.1) Requirement already satisfied: jinja2~=2.10 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.11.3) Requirement already satisfied: simplejson~=3.16 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.17.2) Requirement already satisfied: graphviz~=0.13 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.16) Requirement already satisfied: ete3~=3.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.1.2) Requirement already satisfied: reentry~=1.3 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.3.2) Requirement already satisfied: pytz~=2019.3 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2019.3) Requirement already satisfied: pgsu~=0.2.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.0) Requirement already satisfied: click~=7.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (7.1.2) Requirement already satisfied: psycopg2-binary>=2.8.3,~=2.8 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.8.6) Requirement already satisfied: psutil~=5.6 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.8.0) Requirement already satisfied: upf-to-json~=0.9.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.9.3) Requirement already satisfied: tabulate~=0.8.5 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.8.9) Requirement already satisfied: ipython~=7.20 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (7.23.1) Requirement already satisfied: sqlalchemy~=1.3.10 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.3.24) Requirement already satisfied: click-config-file~=0.6.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.6.0) Requirement already satisfied: jsonschema~=3.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.2.0) Requirement already satisfied: alembic~=1.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.6.2) Requirement already satisfied: click-spinner~=0.1.8 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.1.10) Requirement already satisfied: plumpy~=0.19.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.19.0) Requirement already satisfied: pamqp~=2.3 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.3.0) Requirement already satisfied: ruamel.yaml.clib>=0.1.2; platform_python_implementation == "CPython" and python_version < "3.10" in /usr/local/lib/python3.8/dist-packages (from ruamel.yaml>=0.16.5->aiida-cp2k==1.3.0) (0.2.2) Requirement already satisfied: scipy>=0.18.1 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (1.6.3) Requirement already satisfied: matplotlib>=2.0.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (3.4.2) Requirement already satisfied: pg8000>=1.10 in /usr/local/lib/python3.8/dist-packages (from pgtest~=1.3; extra == "test"->aiida-cp2k==1.3.0) (1.19.4) Requirement already satisfied: py>=1.8.2 in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (1.10.0) Requirement already satisfied: packaging in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (20.9) Requirement already 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(from kiwipy[rmq]~=0.7.4->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.3.1) Requirement already satisfied: deprecation in /usr/local/lib/python3.8/dist-packages (from kiwipy[rmq]~=0.7.4->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.1.0) Requirement already satisfied: async-generator in /usr/local/lib/python3.8/dist-packages (from kiwipy[rmq]~=0.7.4->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.10) Requirement already satisfied: shortuuid in /usr/local/lib/python3.8/dist-packages (from kiwipy[rmq]~=0.7.4->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.0.1) Requirement already satisfied: bcrypt>=3.1.3 in /usr/local/lib/python3.8/dist-packages (from paramiko>=2.7.2,~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.2.0) Requirement already satisfied: cryptography>=2.5 in /usr/local/lib/python3.8/dist-packages (from paramiko>=2.7.2,~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.4.7) Requirement already satisfied: pynacl>=1.0.1 in /usr/local/lib/python3.8/dist-packages (from paramiko>=2.7.2,~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.4.0) Requirement already satisfied: aiormq<4,>=3.2.3 in /usr/local/lib/python3.8/dist-packages (from aio-pika~=6.6->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.3.1) Requirement already satisfied: yarl in /usr/local/lib/python3.8/dist-packages (from aio-pika~=6.6->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.6.3) Requirement already satisfied: shellingham in /usr/local/lib/python3.8/dist-packages (from click-completion~=0.5.1->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.4.0) Requirement already satisfied: tornado>=5.0.2 in /usr/local/lib/python3.8/dist-packages (from circus~=0.17.1->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (6.1) Requirement already satisfied: pyzmq>=17.0 in /usr/local/lib/python3.8/dist-packages (from circus~=0.17.1->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (22.0.3) Requirement already satisfied: MarkupSafe>=0.23 in /usr/local/lib/python3.8/dist-packages (from jinja2~=2.10->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.0.0) Requirement already satisfied: setuptools>=36.2 in /usr/lib/python3/dist-packages (from reentry~=1.3->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (45.2.0) Requirement already satisfied: decorator in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.0.7) Requirement already satisfied: prompt-toolkit!=3.0.0,!=3.0.1,<3.1.0,>=2.0.0 in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.0.18) Requirement already satisfied: pexpect>4.3; sys_platform != "win32" in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (4.8.0) Requirement already satisfied: backcall in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.0) Requirement already satisfied: traitlets>=4.2 in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.0.5) Requirement already satisfied: pickleshare in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.7.5) Requirement already satisfied: matplotlib-inline in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.1.2) Requirement already satisfied: pygments in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.9.0) Requirement already satisfied: jedi>=0.16 in /usr/local/lib/python3.8/dist-packages (from ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.18.0) Requirement already satisfied: configobj>=5.0.6 in /usr/local/lib/python3.8/dist-packages (from click-config-file~=0.6.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.0.6) Requirement already satisfied: pyrsistent>=0.14.0 in /usr/local/lib/python3.8/dist-packages (from jsonschema~=3.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.17.3) Requirement already satisfied: Mako in /usr/local/lib/python3.8/dist-packages (from alembic~=1.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.1.4) Requirement already satisfied: python-editor>=0.3 in /usr/local/lib/python3.8/dist-packages (from alembic~=1.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.0.4) Requirement already satisfied: nest-asyncio~=1.4.0 in /usr/local/lib/python3.8/dist-packages (from plumpy~=0.19.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.4.3) Requirement already satisfied: pillow>=6.2.0 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.3.0) (8.2.0) Requirement already satisfied: pyparsing>=2.2.1 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.3.0) (2.4.7) Requirement already satisfied: kiwisolver>=1.0.1 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.3.0) (1.3.1) Requirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.3.0) (0.10.0) Requirement already satisfied: scramp==1.4.0 in /usr/local/lib/python3.8/dist-packages (from pg8000>=1.10->pgtest~=1.3; extra == "test"->aiida-cp2k==1.3.0) (1.4.0) Requirement already satisfied: cffi>=1.1 in /usr/local/lib/python3.8/dist-packages (from bcrypt>=3.1.3->paramiko>=2.7.2,~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.14.5) Requirement already satisfied: multidict>=4.0 in /usr/local/lib/python3.8/dist-packages (from yarl->aio-pika~=6.6->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.1.0) Requirement already satisfied: idna>=2.0 in /usr/local/lib/python3.8/dist-packages (from yarl->aio-pika~=6.6->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.1) Requirement already satisfied: wcwidth in /usr/local/lib/python3.8/dist-packages (from prompt-toolkit!=3.0.0,!=3.0.1,<3.1.0,>=2.0.0->ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.5) Requirement already satisfied: ptyprocess>=0.5 in /usr/local/lib/python3.8/dist-packages (from pexpect>4.3; sys_platform != "win32"->ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.7.0) Requirement already satisfied: ipython-genutils in /usr/local/lib/python3.8/dist-packages (from traitlets>=4.2->ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.0) Requirement already satisfied: parso<0.9.0,>=0.8.0 in /usr/local/lib/python3.8/dist-packages (from jedi>=0.16->ipython~=7.20->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.8.2) Requirement already satisfied: asn1crypto==1.4.0 in /usr/local/lib/python3.8/dist-packages (from scramp==1.4.0->pg8000>=1.10->pgtest~=1.3; extra == "test"->aiida-cp2k==1.3.0) (1.4.0) Requirement already satisfied: pycparser in /usr/local/lib/python3.8/dist-packages (from cffi>=1.1->bcrypt>=3.1.3->paramiko>=2.7.2,~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.20) Building wheels for collected packages: aiida-cp2k Building wheel for aiida-cp2k (PEP 517): started Building wheel for aiida-cp2k (PEP 517): finished with status 'done' Created wheel for aiida-cp2k: filename=aiida_cp2k-1.3.0-py3-none-any.whl size=26743 sha256=eb43477d7394830c6448789b2746e9ff3a7777749536363271cf4b392c875c1f Stored in directory: /root/.cache/pip/wheels/54/13/ab/54b2d3871b02524c3d05f223bad3c8ff45da85d09642ac792e Successfully built aiida-cp2k Installing collected packages: aiida-cp2k Successfully installed aiida-cp2k-1.3.0 ========== Configuring AiiDA ========== * Starting RabbitMQ Messaging Server rabbitmq-server ...done. * Starting PostgreSQL 12 database server ...done. ========== Running AiiDA-CP2K Tests ========== ============================= test session starts ============================== platform linux -- Python 3.8.5, pytest-6.2.4, py-1.10.0, pluggy-0.13.1 rootdir: /opt/aiida-cp2k, configfile: pyproject.toml plugins: cov-2.11.1 collected 36 items examples/gaussian_datatypes/example_automatic.py . [ 2%] examples/gaussian_datatypes/example_explicit.py . [ 5%] examples/single_calculations/example_dft.py . [ 8%] examples/single_calculations/example_dft_atomic_kinds.py . [ 11%] examples/single_calculations/example_failure.py . [ 13%] examples/single_calculations/example_geopt.py . [ 16%] examples/single_calculations/example_mm.py . [ 19%] examples/single_calculations/example_multiple_force_eval.py . [ 22%] examples/single_calculations/example_no_struct.py . [ 25%] examples/single_calculations/example_precision.py . [ 27%] examples/single_calculations/example_restart.py . [ 30%] examples/single_calculations/example_structure_through_file.py . [ 33%] examples/workchains/example_base_failed_restart.py . [ 36%] examples/workchains/example_base_restart.py . [ 38%] test/test_gaussian_datatypes.py ........ [ 61%] test/test_input_generator.py ......... [ 86%] test/test_parser.py ... [ 94%] test/test_version_agreement.py . [ 97%] test/test_xyz.py . [100%] =============================== warnings summary =============================== ../../usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:428 /usr/local/lib/python3.8/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/python3.8/dist-packages/_pytest/stepwise.py:49 /usr/local/lib/python3.8/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 ================== 36 passed, 2 warnings in 348.82s (0:05:48) ================== Summary: aiida-cp2k commit ffe2943 works fine. Status: OK EndDate: 2021-05-14 11:39:48+00:00