StartDate: 2020-12-05 11:02:30+00:00 CpuId: 16x Intel Core i7-5000 Extreme Edition (Haswell R2) / Xeon E5-x600 / Xeon E5-4800 / Xeon E5-8800 v3 (Haswell-EP), 22nm CommitSHA: 4747ff56644d0a416f9c889ebc7097206f2a01a2 CommitTime: 2020-12-05 11:37:31 +0100 CommitAuthor: Dmitry Ryndyk CommitSubject: Update link in INSTALL.md 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-132:gittree-28cebdf-buildargs-68b329d Sending build context to Docker daemon 71.68kB Step 1/10 : ARG TOOLCHAIN=cp2k/toolchain:latest Step 2/10 : FROM ${TOOLCHAIN} ---> 79ea340c6ede Step 3/10 : WORKDIR /workspace ---> Running in 90e75401f317 Removing intermediate container 90e75401f317 ---> 08901216579d Step 4/10 : COPY ./scripts/install_basics.sh . ---> 73242695467f Step 5/10 : RUN ./install_basics.sh ---> Running in 73d9efed2898 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 ... 15982 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 (2.31-0ubuntu9.1) ... done. Cloning cp2k repository... done. Removing intermediate container 73d9efed2898 ---> 0569f26f1ba9 Step 6/10 : ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8" ---> Running in 2fc1c996ee56 Removing intermediate container 2fc1c996ee56 ---> 370a04e58078 Step 7/10 : COPY ./scripts/install_aiida.sh . ---> a1dd18b14f34 Step 8/10 : RUN ./install_aiida.sh ---> Running in eaab5b5d6bf9 /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 ... 16018 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%3a8.2p1-4ubuntu0.1_amd64.deb ... Unpacking openssh-client (1:8.2p1-4ubuntu0.1) ... Selecting previously unselected package openssh-sftp-server. Preparing to unpack .../06-openssh-sftp-server_1%3a8.2p1-4ubuntu0.1_amd64.deb ... Unpacking openssh-sftp-server (1:8.2p1-4ubuntu0.1) ... 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%3a8.2p1-4ubuntu0.1_amd64.deb ... Unpacking openssh-server (1:8.2p1-4ubuntu0.1) ... Selecting previously unselected package ssh. Preparing to unpack .../10-ssh_1%3a8.2p1-4ubuntu0.1_all.deb ... Unpacking ssh (1:8.2p1-4ubuntu0.1) ... 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_1.8.31-1ubuntu1.1_amd64.deb ... Unpacking sudo (1.8.31-1ubuntu1.1) ... 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_12.5-0ubuntu0.20.04.1_amd64.deb ... Unpacking libpq5:amd64 (12.5-0ubuntu0.20.04.1) ... Selecting previously unselected package libpython3.8:amd64. Preparing to unpack .../35-libpython3.8_3.8.5-1~20.04_amd64.deb ... Unpacking libpython3.8:amd64 (3.8.5-1~20.04) ... Selecting previously unselected package libpython3.8-dev:amd64. Preparing to unpack .../36-libpython3.8-dev_3.8.5-1~20.04_amd64.deb ... Unpacking libpython3.8-dev:amd64 (3.8.5-1~20.04) ... 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_2.31-0ubuntu9.1_amd64.deb ... Unpacking locales-all (2.31-0ubuntu9.1) ... 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_12.5-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-client-12 (12.5-0ubuntu0.20.04.1) ... 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_12.5-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-12 (12.5-0ubuntu0.20.04.1) ... 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_20.0.2-5ubuntu1.1_all.deb ... Unpacking python-pip-whl (20.0.2-5ubuntu1.1) ... Selecting previously unselected package python3.8-dev. Preparing to unpack .../47-python3.8-dev_3.8.5-1~20.04_amd64.deb ... Unpacking python3.8-dev (3.8.5-1~20.04) ... 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_20.0.2-5ubuntu1.1_all.deb ... Unpacking python3-pip (20.0.2-5ubuntu1.1) ... 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_3.8.2-0ubuntu1.1_all.deb ... Unpacking rabbitmq-server (3.8.2-0ubuntu1.1) ... 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 (12.5-0ubuntu0.20.04.1) ... 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 (2.31-0ubuntu9.1) ... 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) ... Setting up socat (1.7.3.3-2) ... Setting up sudo (1.8.31-1ubuntu1.1) ... 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 (20.0.2-5ubuntu1.1) ... 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 (12.5-0ubuntu0.20.04.1) ... 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) ... 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 (20.0.2-5ubuntu1.1) ... Setting up python3.8-dev (3.8.5-1~20.04) ... Setting up postgresql-12 (12.5-0ubuntu0.20.04.1) ... 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 (1:8.2p1-4ubuntu0.1) ... 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 (1:8.2p1-4ubuntu0.1) ... Setting up openssh-server (1:8.2p1-4ubuntu0.1) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:g+Kb21Oq6CDigedPb7o8E2j52vgDGvtPGe21vtPl+VE root@eaab5b5d6bf9 (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:LLuvrCFeLK9I6m2YCEvIHu3rZhjseGlFVEColwoxjXY root@eaab5b5d6bf9 (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:eFT+UbwGqqp3rffjojwlpiQb1c9CWYSPypB+VLvGs6c root@eaab5b5d6bf9 (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 (3.8.2-0ubuntu1.1) ... 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 (1:8.2p1-4ubuntu0.1) ... Processing triggers for libc-bin (2.31-0ubuntu9.1) ... 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 eaab5b5d6bf9 ---> 547d9a982ccb Step 9/10 : COPY ./scripts/ci_entrypoint.sh ./scripts/test_aiida.sh ./ ---> f508b92414c5 Step 10/10 : CMD ["./ci_entrypoint.sh", "./test_aiida.sh"] ---> Running in b99b68d2f619 Removing intermediate container b99b68d2f619 ---> 56080246db51 Successfully built 56080246db51 Successfully tagged gcr.io/cp2k-org-project/img_cp2k-aiida-arch-132:gittree-2ee85ee-buildargs-23f7506 Pushing image cp2k-aiida... done. #################### Running Image cp2k-aiida #################### ========== Fetching Git Commit ========== CommitSHA: 4747ff56644d0a416f9c889ebc7097206f2a01a2 CommitTime: 2020-12-05 11:37:31 +0100 CommitAuthor: Dmitry Ryndyk CommitSubject: Update link in INSTALL.md ========== Running Test ========== ========== Compiling CP2K ========== Compiling cp2k... done. ========== Installing AiiDA-CP2K plugin ========== Already up to date. Processing /opt/aiida-cp2k Requirement already satisfied: aiida-core<2.0.0,>=1.1.0 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (1.5.0) Requirement already satisfied: ase in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (3.20.1) Requirement already satisfied: ruamel.yaml>=0.16.5 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (0.16.12) Requirement already satisfied: aiida-gaussian-datatypes in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (0.3.4) Requirement already satisfied: coverage in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (5.3) Requirement already satisfied: pgtest==1.2.0 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (1.2.0) Requirement already satisfied: pytest-cov<3.0.0,>=2.6.1 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.2.1) (2.10.1) Requirement already satisfied: pytest<5.0.0,>=4.4 in /usr/local/lib/python3.8/dist-packages (from 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/usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (7.1.2) Requirement already satisfied: topika~=0.2.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.2.2) Requirement already satisfied: numpy~=1.17 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (1.19.4) Requirement already satisfied: sqlalchemy>=1.3.10,~=1.3 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (1.3.20) 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==1.2.1) (3.1.2) 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==1.2.1) (0.9.2) Requirement already satisfied: pgsu~=0.1.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.1.0) 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==1.2.1) (4.54.1) 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==1.2.1) (0.9.1) 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==1.2.1) (0.15) 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==1.2.1) (2.11.2) 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==1.2.1) (0.8.7) 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==1.2.1) (0.1.10) 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==1.2.1) (3.17.2) 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==1.2.1) (5.7.3) Requirement already satisfied: tornado<5.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (4.5.3) Requirement already satisfied: ipython~=7.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (7.19.0) 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==1.2.1) (5.1.2) 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==1.2.1) (2019.3) 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==1.2.1) (1.3.1) Requirement already satisfied: wrapt~=1.11.1 in 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(0.6.0) Requirement already satisfied: circus~=0.16.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.16.1) Requirement already satisfied: plumpy~=0.15.1 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.15.1) Requirement already satisfied: scipy>=0.18.1 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.2.1) (1.5.4) Requirement already satisfied: matplotlib>=2.0.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.2.1) (3.3.3) Requirement already satisfied: ruamel.yaml.clib>=0.1.2; platform_python_implementation == "CPython" and python_version < "3.9" in /usr/local/lib/python3.8/dist-packages (from ruamel.yaml>=0.16.5->aiida-cp2k==1.2.1) (0.2.2) Requirement already satisfied: voluptuous>=0.11.7 in /usr/local/lib/python3.8/dist-packages (from aiida-gaussian-datatypes->aiida-cp2k==1.2.1) (0.12.0) Requirement already satisfied: pg8000>=1.10 in /usr/local/lib/python3.8/dist-packages (from pgtest==1.2.0->aiida-cp2k==1.2.1) (1.16.6) Requirement already satisfied: wcwidth in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (0.2.5) Requirement already satisfied: pluggy<1.0,>=0.12 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (0.13.1) Requirement already satisfied: atomicwrites>=1.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (1.4.0) Requirement already satisfied: py>=1.5.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (1.9.0) Requirement already satisfied: more-itertools>=4.0.0; python_version > "2.7" in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (8.6.0) Requirement already satisfied: six>=1.10.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (1.15.0) Requirement already satisfied: packaging in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (20.7) Requirement already satisfied: attrs>=17.4.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.2.1) (20.3.0) Requirement already satisfied: shortuuid in /usr/local/lib/python3.8/dist-packages (from kiwipy[rmq]~=0.5.5->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (1.0.1) Requirement already satisfied: furl in /usr/local/lib/python3.8/dist-packages (from topika~=0.2.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (2.1.0) 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==1.2.1) (1.1.1) Requirement already satisfied: decorator in /usr/local/lib/python3.8/dist-packages (from ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (4.4.2) Requirement already satisfied: jedi>=0.10 in /usr/local/lib/python3.8/dist-packages (from 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matplotlib>=2.0.0->ase->aiida-cp2k==1.2.1) (8.0.1) Requirement already satisfied: pyparsing!=2.0.4,!=2.1.2,!=2.1.6,>=2.0.3 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.2.1) (2.4.7) Requirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.2.1) (0.10.0) Requirement already satisfied: kiwisolver>=1.0.1 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=2.0.0->ase->aiida-cp2k==1.2.1) (1.3.1) Requirement already satisfied: scramp==1.2.0 in /usr/local/lib/python3.8/dist-packages (from pg8000>=1.10->pgtest==1.2.0->aiida-cp2k==1.2.1) (1.2.0) Requirement already satisfied: orderedmultidict>=1.0.1 in /usr/local/lib/python3.8/dist-packages (from furl->topika~=0.2.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (1.0.1) Requirement already satisfied: parso<0.8.0,>=0.7.0 in /usr/local/lib/python3.8/dist-packages (from jedi>=0.10->ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.7.1) Requirement already satisfied: ptyprocess>=0.5 in /usr/local/lib/python3.8/dist-packages (from pexpect>4.3; sys_platform != "win32"->ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.6.0) Requirement already satisfied: ipython-genutils in /usr/local/lib/python3.8/dist-packages (from traitlets>=4.2->ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (0.2.0) Requirement already satisfied: cffi>=1.1 in /usr/local/lib/python3.8/dist-packages (from bcrypt>=3.1.3->paramiko~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (1.14.4) Requirement already satisfied: pycparser in /usr/local/lib/python3.8/dist-packages (from cffi>=1.1->bcrypt>=3.1.3->paramiko~=2.7->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.2.1) (2.20) Building wheels for collected packages: aiida-cp2k Building wheel for aiida-cp2k (setup.py): started Building wheel for aiida-cp2k (setup.py): finished with status 'done' Created wheel for aiida-cp2k: filename=aiida_cp2k-1.2.1-py3-none-any.whl size=24261 sha256=29402af5a19f53bbd5bb42cb23286c2b9b019c7ecd9c808befa597c8c3f17bfe Stored in directory: /root/.cache/pip/wheels/54/13/ab/54b2d3871b02524c3d05f223bad3c8ff45da85d09642ac792e Successfully built aiida-cp2k Installing collected packages: aiida-cp2k Successfully installed aiida-cp2k-1.2.1 ========== 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-4.6.11, py-1.9.0, pluggy-0.13.1 rootdir: /opt/aiida-cp2k, inifile: pytest.ini plugins: cov-2.10.1 collected 30 items examples/gaussian_datatypes/example_automatic.py . [ 3%] examples/gaussian_datatypes/example_explicit.py . [ 6%] examples/single_calculations/example_dft.py . [ 10%] examples/single_calculations/example_dft_atomic_kinds.py . [ 13%] examples/single_calculations/example_failure.py . [ 16%] examples/single_calculations/example_geopt.py . [ 20%] examples/single_calculations/example_mm.py . [ 23%] examples/single_calculations/example_multiple_force_eval.py . [ 26%] examples/single_calculations/example_no_struct.py . [ 30%] examples/single_calculations/example_precision.py . [ 33%] examples/single_calculations/example_restart.py . [ 36%] examples/single_calculations/example_structure_through_file.py . [ 40%] examples/workchains/example_base_failed_restart.py . [ 43%] examples/workchains/example_base_restart.py . [ 46%] test/test_gaussian_datatypes.py ...... [ 66%] test/test_input_generator.py ......... [ 96%] test/test_version_agreement.py . [100%] =============================== warnings summary =============================== /usr/local/lib/python3.8/dist-packages/sqlalchemy_utils/observer.py:176 /usr/local/lib/python3.8/dist-packages/sqlalchemy_utils/observer.py:176: DeprecationWarning: Using or importing the ABCs from 'collections' instead of from 'collections.abc' is deprecated since Python 3.3, and in 3.9 it will stop working from collections import defaultdict, Iterable, namedtuple /usr/local/lib/python3.8/dist-packages/reentry/jsonbackend.py:286 /usr/local/lib/python3.8/dist-packages/reentry/jsonbackend.py:286: DeprecationWarning: Using or importing the ABCs from 'collections' instead of from 'collections.abc' is deprecated since Python 3.3, and in 3.9 it will stop working from collections import Sequence /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127 /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/stepwise self.warn("could not create cache path {path}", path=path) /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127 /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/nodeids self.warn("could not create cache path {path}", path=path) -- Docs: https://docs.pytest.org/en/latest/warnings.html =================== 30 passed, 4 warnings in 361.79 seconds ==================== Summary: aiida-cp2k commit 3aec461 works fine. Status: OK EndDate: 2020-12-05 11:37:17+00:00