StartDate: 2021-10-25 19:02:35+00:00 CpuId: 8x Intel Xeon W 2000 / D-2100 (Skylake / Cascade Lake) {Skylake}, 14nm CommitSHA: 32b7dab7e1af6bdd3d21c9cb69d14b18d69f5be4 CommitTime: 2021-10-25 16:38:07 +0200 CommitAuthor: Fabian Belleflamme CommitSubject: Adjust regtests 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-b51:gittree-0aac0cd-buildargs-68b329d Sending build context to Docker daemon 78.34kB Step 1/10 : ARG TOOLCHAIN=cp2k/toolchain:latest Step 2/10 : FROM ${TOOLCHAIN} ---> 9d995366e1d7 Step 3/10 : WORKDIR /workspace ---> Running in 8b7fc3832a06 Removing intermediate container 8b7fc3832a06 ---> f9e3f9da7f88 Step 4/10 : COPY ./scripts/install_basics.sh . ---> dbd35f7b2e66 Step 5/10 : RUN ./install_basics.sh ---> Running in b5512cf4c17e 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 ... 15383 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 b5512cf4c17e ---> 70ff95aa9474 Step 6/10 : ENV LANG="en_US.UTF-8" LANGUAGE="en_US:en" LC_ALL="en_US.UTF-8" ---> Running in 55a38ef00d48 Removing intermediate container 55a38ef00d48 ---> ebaf328da631 Step 7/10 : COPY ./scripts/install_aiida.sh . ---> aa58d3c34502 Step 8/10 : RUN ./install_aiida.sh ---> Running in bdca6f2ef103 /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 ... 15419 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%3a8.2p1-4ubuntu0.3_amd64.deb ... Unpacking openssh-client (1:8.2p1-4ubuntu0.3) ... Selecting previously unselected package openssh-sftp-server. Preparing to unpack .../06-openssh-sftp-server_1%3a8.2p1-4ubuntu0.3_amd64.deb ... Unpacking openssh-sftp-server (1:8.2p1-4ubuntu0.3) ... 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%3a8.2p1-4ubuntu0.3_amd64.deb ... Unpacking openssh-server (1:8.2p1-4ubuntu0.3) ... Selecting previously unselected package ssh. Preparing to unpack .../10-ssh_1%3a8.2p1-4ubuntu0.3_all.deb ... Unpacking ssh (1:8.2p1-4ubuntu0.3) ... 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 sudo. Preparing to unpack .../13-sudo_1.8.31-1ubuntu1.2_amd64.deb ... Unpacking sudo (1.8.31-1ubuntu1.2) ... Selecting previously unselected package erlang-base. Preparing to unpack .../14-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 .../15-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 .../16-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 .../17-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 .../18-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 .../19-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 .../20-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 .../21-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 .../22-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 .../23-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 .../24-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 .../25-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 .../26-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 .../27-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 .../28-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 .../29-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 .../30-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 .../31-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 .../32-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 .../33-libpq5_12.8-0ubuntu0.20.04.1_amd64.deb ... Unpacking libpq5:amd64 (12.8-0ubuntu0.20.04.1) ... Selecting previously unselected package libpython3.8:amd64. Preparing to unpack .../34-libpython3.8_3.8.10-0ubuntu1~20.04.1_amd64.deb ... Unpacking libpython3.8:amd64 (3.8.10-0ubuntu1~20.04.1) ... Selecting previously unselected package libpython3.8-dev:amd64. Preparing to unpack .../35-libpython3.8-dev_3.8.10-0ubuntu1~20.04.1_amd64.deb ... Unpacking libpython3.8-dev:amd64 (3.8.10-0ubuntu1~20.04.1) ... Selecting previously unselected package libpython3-dev:amd64. Preparing to unpack .../36-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 .../37-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 .../38-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 .../39-postgresql-client-common_214ubuntu0.1_all.deb ... Unpacking postgresql-client-common (214ubuntu0.1) ... Selecting previously unselected package postgresql-client-12. Preparing to unpack .../40-postgresql-client-12_12.8-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-client-12 (12.8-0ubuntu0.20.04.1) ... Selecting previously unselected package ssl-cert. Preparing to unpack .../41-ssl-cert_1.0.39_all.deb ... Unpacking ssl-cert (1.0.39) ... Selecting previously unselected package postgresql-common. Preparing to unpack .../42-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 .../43-postgresql-12_12.8-0ubuntu0.20.04.1_amd64.deb ... Unpacking postgresql-12 (12.8-0ubuntu0.20.04.1) ... Selecting previously unselected package postgresql. Preparing to unpack .../44-postgresql_12+214ubuntu0.1_all.deb ... Unpacking postgresql (12+214ubuntu0.1) ... Selecting previously unselected package python3.8-dev. Preparing to unpack .../45-python3.8-dev_3.8.10-0ubuntu1~20.04.1_amd64.deb ... Unpacking python3.8-dev (3.8.10-0ubuntu1~20.04.1) ... Selecting previously unselected package python3-dev. Preparing to unpack .../46-python3-dev_3.8.2-0ubuntu2_amd64.deb ... Unpacking python3-dev (3.8.2-0ubuntu2) ... Selecting previously unselected package socat. Preparing to unpack .../47-socat_1.7.3.3-2_amd64.deb ... Unpacking socat (1.7.3.3-2) ... Selecting previously unselected package rabbitmq-server. Preparing to unpack .../48-rabbitmq-server_3.8.2-0ubuntu1.3_all.deb ... Unpacking rabbitmq-server (3.8.2-0ubuntu1.3) ... 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 (12.8-0ubuntu0.20.04.1) ... Setting up erlang-syntax-tools (1:22.2.7+dfsg-1) ... Setting up libcbor0.6:amd64 (0.6.0-0ubuntu1) ... Setting up 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 (3.8.10-0ubuntu1~20.04.1) ... 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 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 logrotate (3.14.0-4ubuntu3) ... Setting up postgresql-client-common (214ubuntu0.1) ... 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 (12.8-0ubuntu0.20.04.1) ... 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 (3.8.10-0ubuntu1~20.04.1) ... 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 python3.8-dev (3.8.10-0ubuntu1~20.04.1) ... Setting up postgresql-12 (12.8-0ubuntu0.20.04.1) ... 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 (1:8.2p1-4ubuntu0.3) ... 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 (1:8.2p1-4ubuntu0.3) ... Setting up openssh-server (1:8.2p1-4ubuntu0.3) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:GFr6toq/iDPPmtwasoI+ULSj8IQY2SiQRG62kjik/cQ root@bdca6f2ef103 (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:wBpcpTB05gz7bMyNnrfh6A0Yvx8LS7Bb5gG1YUjHlLo root@bdca6f2ef103 (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:i0byV9vJM3kchoxf1SZetpYrp7mGgRuA95wtOF0xErA root@bdca6f2ef103 (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 (3.8.2-0ubuntu1.3) ... 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 (1:8.2p1-4ubuntu0.3) ... Processing triggers for libc-bin (2.31-0ubuntu9.2) ... ERROR: tensorflow 2.6.0 has requirement wrapt~=1.12.1, but you'll have wrapt 1.11.2 which is incompatible. ERROR: aiida-core 1.6.5 has requirement click~=7.1, but you'll have click 8.0.3 which is incompatible. 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_static.psmp' -> '/opt/cp2k-toolchain/install/arch/local_static.psmp' './local_static.ssmp' -> '/opt/cp2k-toolchain/install/arch/local_static.ssmp' './local_warn.psmp' -> '/opt/cp2k-toolchain/install/arch/local_warn.psmp' Warming cache by trying to compile... done. Removing intermediate container bdca6f2ef103 ---> 92553b207550 Step 9/10 : COPY ./scripts/ci_entrypoint.sh ./scripts/test_aiida.sh ./ ---> f5dcb672313d Step 10/10 : CMD ["./ci_entrypoint.sh", "./test_aiida.sh"] ---> Running in bc676d033676 Removing intermediate container bc676d033676 ---> 62a6875eccbe Successfully built 62a6875eccbe Successfully tagged gcr.io/cp2k-org-project/img_cp2k-aiida-arch-b51:gittree-6fec169-buildargs-9463269 Pushing image cp2k-aiida... done. #################### Running Image cp2k-aiida #################### ========== Fetching Git Commit ========== CommitSHA: 32b7dab7e1af6bdd3d21c9cb69d14b18d69f5be4 CommitTime: 2021-10-25 16:38:07 +0200 CommitAuthor: Fabian Belleflamme CommitSubject: Adjust regtests ========== 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: ase in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (3.22.0) 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) (1.6.5) Requirement already satisfied: cp2k-output-tools in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.5.0) Requirement already satisfied: aiida-gaussian-datatypes in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.5.0) Requirement already satisfied: ruamel.yaml>=0.16.5 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.17.16) 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: pytest~=6.0; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (6.2.5) Requirement already satisfied: coverage; extra == "test" in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (6.0.2) 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: scipy>=1.1.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (1.7.1) Requirement already satisfied: numpy>=1.15.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (1.19.5) Requirement already satisfied: matplotlib>=3.1.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (3.4.3) 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: 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: 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: 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: 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: 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: 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) (0.17) 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: pyyaml~=5.4 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (5.4.1) 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: 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: 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) (4.62.3) 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: 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: 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: 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: 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) (2.2.24) 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) (7.28.0) Collecting click~=7.1 Downloading click-7.1.2-py2.py3-none-any.whl (82 kB) 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) (2.8.0) 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: 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: psycopg2-binary~=2.8.3 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: 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: 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) (3.17.5) 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) (1.7.4) 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: 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: 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: 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) (0.36.5) 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) (0.2.1) 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) (2.8.2) Requirement already satisfied: plumpy~=0.20.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.20.0) 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: regex<2022.0,>=2021.4 in /usr/local/lib/python3.8/dist-packages (from cp2k-output-tools->aiida-cp2k==1.3.0) (2021.10.23) Requirement already satisfied: cp2k-input-tools>=0.8.0 in /usr/local/lib/python3.8/dist-packages (from aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (0.8.0) 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) (0.2.6) Requirement already satisfied: iniconfig in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (1.1.1) Requirement already satisfied: packaging in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (21.0) Requirement already satisfied: pluggy<2.0,>=0.12 in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (1.0.0) 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: toml in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (0.10.2) Requirement already satisfied: attrs>=19.2.0 in /usr/local/lib/python3.8/dist-packages (from pytest~=6.0; extra == "test"->aiida-cp2k==1.3.0) (21.2.0) 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) (1.22.0) Requirement already satisfied: cycler>=0.10 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=3.1.0->ase->aiida-cp2k==1.3.0) (0.10.0) Requirement already satisfied: pyparsing>=2.2.1 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=3.1.0->ase->aiida-cp2k==1.3.0) (3.0.1) Requirement already satisfied: kiwisolver>=1.0.1 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=3.1.0->ase->aiida-cp2k==1.3.0) (1.3.2) Requirement already satisfied: pillow>=6.2.0 in /usr/local/lib/python3.8/dist-packages (from matplotlib>=3.1.0->ase->aiida-cp2k==1.3.0) (8.4.0) 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==1.3.0) (2.0.1) 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: 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: pytray<0.4.0,>=0.2.2 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) (0.3.2) 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: six in /usr/local/lib/python3.8/dist-packages (from upf-to-json~=0.9.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.15.0) 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) (22.3.0) 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) (1.7.0) 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: setuptools in /usr/lib/python3/dist-packages (from jsonschema~=3.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (45.2.0) 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) (0.18.0) 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: sqlparse>=0.2.2 in /usr/local/lib/python3.8/dist-packages (from django~=2.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.4.2) 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) (3.0.21) 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: 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: 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) (5.1.0) 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) (2.10.0) 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) (5.1.1) 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) (0.1.3) 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: 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: 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) (35.0.0) 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) (1.1.5) Requirement already satisfied: importlib-resources; python_version < "3.9" 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) (5.3.0) Requirement already satisfied: importlib-metadata; python_version < "3.9" 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) (4.8.1) 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: nest-asyncio~=1.4.0 in /usr/local/lib/python3.8/dist-packages (from plumpy~=0.20.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.4.3) Requirement already satisfied: pint<0.18,>=0.15 in /usr/local/lib/python3.8/dist-packages (from cp2k-input-tools>=0.8.0->aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (0.17) Requirement already satisfied: pydantic<2.0.0,>=1.8.2 in /usr/local/lib/python3.8/dist-packages (from cp2k-input-tools>=0.8.0->aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (1.8.2) Requirement already satisfied: transitions<0.8,>=0.7 in /usr/local/lib/python3.8/dist-packages (from cp2k-input-tools>=0.8.0->aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (0.7.2) Requirement already satisfied: scramp>=1.4.1 in /usr/local/lib/python3.8/dist-packages (from pg8000>=1.10->pgtest~=1.3; extra == "test"->aiida-cp2k==1.3.0) (1.4.1) 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) (3.3) 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) (5.2.0) 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: 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: 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) (1.15.0) Requirement already satisfied: zipp>=3.1.0; python_version < "3.10" in /usr/local/lib/python3.8/dist-packages (from importlib-resources; python_version < "3.9"->alembic~=1.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.6.0) Requirement already satisfied: typing-extensions>=3.7.4.3 in /usr/local/lib/python3.8/dist-packages (from pydantic<2.0.0,>=1.8.2->cp2k-input-tools>=0.8.0->aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (3.7.4.3) Requirement already satisfied: asn1crypto>=1.4.0 in /usr/local/lib/python3.8/dist-packages (from scramp>=1.4.1->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=27034 sha256=06eddcf96efc97290859832b536c02e6119bdca574cdf6985fef8313cda7d4c1 Stored in directory: /root/.cache/pip/wheels/54/13/ab/54b2d3871b02524c3d05f223bad3c8ff45da85d09642ac792e Successfully built aiida-cp2k Installing collected packages: aiida-cp2k, click Attempting uninstall: click Found existing installation: click 8.0.3 ERROR: cp2k-output-tools 0.5.0 has requirement click<9.0.0,>=8.0.1, but you'll have click 7.1.2 which is incompatible. Uninstalling click-8.0.3: Successfully uninstalled click-8.0.3 Successfully installed aiida-cp2k-1.3.0 click-7.1.2 ========== 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 3.8.10, pytest-6.2.5, py-1.10.0, pluggy-1.0.0 rootdir: /opt/aiida-cp2k, configfile: pyproject.toml plugins: cov-2.11.1 collected 37 items examples/gaussian_datatypes/example_automatic.py . [ 2%] examples/gaussian_datatypes/example_explicit.py . [ 5%] examples/single_calculations/example_bands.py . [ 8%] 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 . [ 18%] examples/single_calculations/example_mm.py . [ 21%] examples/single_calculations/example_multiple_force_eval.py . [ 24%] examples/single_calculations/example_no_struct.py . [ 27%] examples/single_calculations/example_precision.py . [ 29%] examples/single_calculations/example_restart.py . [ 32%] examples/single_calculations/example_structure_through_file.py . [ 35%] examples/workchains/example_base_failed_restart.py . [ 37%] examples/workchains/example_base_restart.py . [ 40%] test/test_gaussian_datatypes.py ........ [ 62%] 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 ================== 37 passed, 2 warnings in 427.52s (0:07:07) ================== Summary: aiida-cp2k commit cc0b46e works fine. Status: OK EndDate: 2021-10-25 19:34:11+00:00