StartDate: 2023-12-02 06:04:39+00:00 CpuId: 32x AMD EPYC (3rd Gen) (Milan) [Zen 3], 7nm (SMT disabled) CommitSHA: b263019182a81f50cd70653ab7c48fb92fe52198 CommitTime: 2023-12-01 17:05:07 +0100 CommitAuthor: Juerg Hutter CommitSubject: Add time and function value output to IBO localization (#3142) #################### Building Image cp2k-aiida #################### Dockerfile: /tools/docker/Dockerfile.test_aiida Build-Path: / Build-Args: GIT_COMMIT_SHA=b263019182a81f50cd70653ab7c48fb92fe52198 Build-Cache: Yes Populating docker build cache... done. DEPRECATED: The legacy builder is deprecated and will be removed in a future release. BuildKit is currently disabled; enable it by removing the DOCKER_BUILDKIT=0 environment-variable. Sending build context to Docker daemon 386.9MB Step 1/41 : FROM ubuntu:22.04 22.04: Pulling from library/ubuntu 5e8117c0bd28: Pulling fs layer 5e8117c0bd28: Verifying Checksum 5e8117c0bd28: Download complete 5e8117c0bd28: Pull complete Digest: sha256:8eab65df33a6de2844c9aefd19efe8ddb87b7df5e9185a4ab73af936225685bb Status: Downloaded newer image for ubuntu:22.04 ---> b6548eacb063 Step 2/41 : WORKDIR /opt/cp2k-toolchain ---> Running in 8230ca0b9810 Removing intermediate container 8230ca0b9810 ---> 1e3d80861066 Step 3/41 : COPY ./tools/toolchain/install_requirements*.sh ./ ---> ec07bafa7c24 Step 4/41 : RUN ./install_requirements.sh ubuntu:22.04 ---> Running in f3ee8f1d125a Installing Ubuntu packages... debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.10-minimal: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 ... 4393 files and directories currently installed.) Preparing to unpack .../libpython3.10-minimal_3.10.12-1~22.04.3_amd64.deb ... Unpacking libpython3.10-minimal:amd64 (3.10.12-1~22.04.3) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.4.7-1ubuntu0.2_amd64.deb ... Unpacking libexpat1:amd64 (2.4.7-1ubuntu0.2) ... Selecting previously unselected package python3.10-minimal. Preparing to unpack .../python3.10-minimal_3.10.12-1~22.04.3_amd64.deb ... Unpacking python3.10-minimal (3.10.12-1~22.04.3) ... Setting up libpython3.10-minimal:amd64 (3.10.12-1~22.04.3) ... Setting up libexpat1:amd64 (2.4.7-1ubuntu0.2) ... Setting up python3.10-minimal (3.10.12-1~22.04.3) ... Selecting previously unselected package python3-minimal. (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 ... 4697 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.10.6-1~22.04_amd64.deb ... Unpacking python3-minimal (3.10.6-1~22.04) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_7.0.0_all.deb ... Unpacking media-types (7.0.0) ... Selecting previously unselected package libmpdec3:amd64. Preparing to unpack .../2-libmpdec3_2.5.1-2build2_amd64.deb ... Unpacking libmpdec3:amd64 (2.5.1-2build2) ... Selecting previously unselected package readline-common. Preparing to unpack .../3-readline-common_8.1.2-1_all.deb ... Unpacking readline-common (8.1.2-1) ... Selecting previously unselected package libreadline8:amd64. Preparing to unpack .../4-libreadline8_8.1.2-1_amd64.deb ... Unpacking libreadline8:amd64 (8.1.2-1) ... Selecting previously unselected package libsqlite3-0:amd64. Preparing to unpack .../5-libsqlite3-0_3.37.2-2ubuntu0.1_amd64.deb ... Unpacking libsqlite3-0:amd64 (3.37.2-2ubuntu0.1) ... Selecting previously unselected package libpython3.10-stdlib:amd64. Preparing to unpack .../6-libpython3.10-stdlib_3.10.12-1~22.04.3_amd64.deb ... Unpacking libpython3.10-stdlib:amd64 (3.10.12-1~22.04.3) ... Selecting previously unselected package python3.10. Preparing to unpack .../7-python3.10_3.10.12-1~22.04.3_amd64.deb ... Unpacking python3.10 (3.10.12-1~22.04.3) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../8-libpython3-stdlib_3.10.6-1~22.04_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.10.6-1~22.04) ... Setting up python3-minimal (3.10.6-1~22.04) ... Selecting previously unselected package python3. (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 ... 5127 files and directories currently installed.) Preparing to unpack .../00-python3_3.10.6-1~22.04_amd64.deb ... Unpacking python3 (3.10.6-1~22.04) ... Selecting previously unselected package perl-modules-5.34. Preparing to unpack .../01-perl-modules-5.34_5.34.0-3ubuntu1.3_all.deb ... Unpacking perl-modules-5.34 (5.34.0-3ubuntu1.3) ... Selecting previously unselected package libgdbm6:amd64. Preparing to unpack .../02-libgdbm6_1.23-1_amd64.deb ... Unpacking libgdbm6:amd64 (1.23-1) ... Selecting previously unselected package libgdbm-compat4:amd64. Preparing to unpack .../03-libgdbm-compat4_1.23-1_amd64.deb ... Unpacking libgdbm-compat4:amd64 (1.23-1) ... Selecting previously unselected package libperl5.34:amd64. Preparing to unpack .../04-libperl5.34_5.34.0-3ubuntu1.3_amd64.deb ... Unpacking libperl5.34:amd64 (5.34.0-3ubuntu1.3) ... Selecting previously unselected package perl. Preparing to unpack .../05-perl_5.34.0-3ubuntu1.3_amd64.deb ... Unpacking perl (5.34.0-3ubuntu1.3) ... Selecting previously unselected package openssl. Preparing to unpack .../06-openssl_3.0.2-0ubuntu1.12_amd64.deb ... Unpacking openssl (3.0.2-0ubuntu1.12) ... Selecting previously unselected package ca-certificates. Preparing to unpack .../07-ca-certificates_20230311ubuntu0.22.04.1_all.deb ... Unpacking ca-certificates (20230311ubuntu0.22.04.1) ... Selecting previously unselected package less. Preparing to unpack .../08-less_590-1ubuntu0.22.04.1_amd64.deb ... Unpacking less (590-1ubuntu0.22.04.1) ... Selecting previously unselected package libglib2.0-0:amd64. Preparing to unpack .../09-libglib2.0-0_2.72.4-0ubuntu2.2_amd64.deb ... Unpacking libglib2.0-0:amd64 (2.72.4-0ubuntu2.2) ... Selecting previously unselected package libicu70:amd64. Preparing to unpack .../10-libicu70_70.1-2_amd64.deb ... Unpacking libicu70:amd64 (70.1-2) ... Selecting previously unselected package libxml2:amd64. Preparing to unpack .../11-libxml2_2.9.13+dfsg-1ubuntu0.3_amd64.deb ... Unpacking libxml2:amd64 (2.9.13+dfsg-1ubuntu0.3) ... Selecting previously unselected package xxd. Preparing to unpack .../12-xxd_2%3a8.2.3995-1ubuntu2.13_amd64.deb ... Unpacking xxd (2:8.2.3995-1ubuntu2.13) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../13-libmagic-mgc_1%3a5.41-3ubuntu0.1_amd64.deb ... Unpacking libmagic-mgc (1:5.41-3ubuntu0.1) ... Selecting previously unselected package libmagic1:amd64. Preparing to unpack .../14-libmagic1_1%3a5.41-3ubuntu0.1_amd64.deb ... Unpacking libmagic1:amd64 (1:5.41-3ubuntu0.1) ... Selecting previously unselected package file. Preparing to unpack .../15-file_1%3a5.41-3ubuntu0.1_amd64.deb ... Unpacking file (1:5.41-3ubuntu0.1) ... Selecting previously unselected package libnghttp2-14:amd64. Preparing to unpack .../16-libnghttp2-14_1.43.0-1ubuntu0.1_amd64.deb ... Unpacking libnghttp2-14:amd64 (1.43.0-1ubuntu0.1) ... Selecting previously unselected package libpsl5:amd64. Preparing to unpack .../17-libpsl5_0.21.0-1.2build2_amd64.deb ... Unpacking libpsl5:amd64 (0.21.0-1.2build2) ... Selecting previously unselected package nano. Preparing to unpack .../18-nano_6.2-1_amd64.deb ... Unpacking nano (6.2-1) ... Selecting previously unselected package wget. Preparing to unpack .../19-wget_1.21.2-2ubuntu1_amd64.deb ... Unpacking wget (1.21.2-2ubuntu1) ... Selecting previously unselected package libsigsegv2:amd64. Preparing to unpack .../20-libsigsegv2_2.13-1ubuntu3_amd64.deb ... Unpacking libsigsegv2:amd64 (2.13-1ubuntu3) ... Selecting previously unselected package m4. Preparing to unpack .../21-m4_1.4.18-5ubuntu2_amd64.deb ... Unpacking m4 (1.4.18-5ubuntu2) ... Selecting previously unselected package autoconf. Preparing to unpack .../22-autoconf_2.71-2_all.deb ... Unpacking autoconf (2.71-2) ... Selecting previously unselected package libgc1:amd64. Preparing to unpack .../23-libgc1_1%3a8.0.6-1.1build1_amd64.deb ... Unpacking libgc1:amd64 (1:8.0.6-1.1build1) ... Selecting previously unselected package libltdl7:amd64. Preparing to unpack .../24-libltdl7_2.4.6-15build2_amd64.deb ... Unpacking libltdl7:amd64 (2.4.6-15build2) ... Selecting previously unselected package guile-2.2-libs:amd64. Preparing to unpack .../25-guile-2.2-libs_2.2.7+1-6build2_amd64.deb ... Unpacking guile-2.2-libs:amd64 (2.2.7+1-6build2) ... Selecting previously unselected package libopts25:amd64. Preparing to unpack .../26-libopts25_1%3a5.18.16-4_amd64.deb ... Unpacking libopts25:amd64 (1:5.18.16-4) ... Selecting previously unselected package libopts25-dev:amd64. Preparing to unpack .../27-libopts25-dev_1%3a5.18.16-4_amd64.deb ... Unpacking libopts25-dev:amd64 (1:5.18.16-4) ... Selecting previously unselected package autogen. Preparing to unpack .../28-autogen_1%3a5.18.16-4_amd64.deb ... Unpacking autogen (1:5.18.16-4) ... Replaced by files in installed package libopts25-dev:amd64 (1:5.18.16-4) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../29-autotools-dev_20220109.1_all.deb ... Unpacking autotools-dev (20220109.1) ... Selecting previously unselected package automake. Preparing to unpack .../30-automake_1%3a1.16.5-1.3_all.deb ... Unpacking automake (1:1.16.5-1.3) ... Selecting previously unselected package binutils-common:amd64. Preparing to unpack .../31-binutils-common_2.38-4ubuntu2.3_amd64.deb ... Unpacking binutils-common:amd64 (2.38-4ubuntu2.3) ... Selecting previously unselected package libbinutils:amd64. Preparing to unpack .../32-libbinutils_2.38-4ubuntu2.3_amd64.deb ... Unpacking libbinutils:amd64 (2.38-4ubuntu2.3) ... Selecting previously unselected package libctf-nobfd0:amd64. Preparing to unpack .../33-libctf-nobfd0_2.38-4ubuntu2.3_amd64.deb ... Unpacking libctf-nobfd0:amd64 (2.38-4ubuntu2.3) ... Selecting previously unselected package libctf0:amd64. Preparing to unpack .../34-libctf0_2.38-4ubuntu2.3_amd64.deb ... Unpacking libctf0:amd64 (2.38-4ubuntu2.3) ... Selecting previously unselected package binutils-x86-64-linux-gnu. Preparing to unpack .../35-binutils-x86-64-linux-gnu_2.38-4ubuntu2.3_amd64.deb ... Unpacking binutils-x86-64-linux-gnu (2.38-4ubuntu2.3) ... Selecting previously unselected package binutils. Preparing to unpack .../36-binutils_2.38-4ubuntu2.3_amd64.deb ... Unpacking binutils (2.38-4ubuntu2.3) ... Selecting previously unselected package bzip2. Preparing to unpack .../37-bzip2_1.0.8-5build1_amd64.deb ... Unpacking bzip2 (1.0.8-5build1) ... Selecting previously unselected package gcc-11-base:amd64. Preparing to unpack .../38-gcc-11-base_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking gcc-11-base:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package libisl23:amd64. Preparing to unpack .../39-libisl23_0.24-2build1_amd64.deb ... Unpacking libisl23:amd64 (0.24-2build1) ... Selecting previously unselected package libmpfr6:amd64. Preparing to unpack .../40-libmpfr6_4.1.0-3build3_amd64.deb ... Unpacking libmpfr6:amd64 (4.1.0-3build3) ... Selecting previously unselected package libmpc3:amd64. Preparing to unpack .../41-libmpc3_1.2.1-2build1_amd64.deb ... Unpacking libmpc3:amd64 (1.2.1-2build1) ... Selecting previously unselected package cpp-11. Preparing to unpack .../42-cpp-11_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking cpp-11 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package cpp. Preparing to unpack .../43-cpp_4%3a11.2.0-1ubuntu1_amd64.deb ... Unpacking cpp (4:11.2.0-1ubuntu1) ... Selecting previously unselected package libcc1-0:amd64. Preparing to unpack .../44-libcc1-0_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libcc1-0:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libgomp1:amd64. Preparing to unpack .../45-libgomp1_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libgomp1:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libitm1:amd64. Preparing to unpack .../46-libitm1_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libitm1:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libatomic1:amd64. Preparing to unpack .../47-libatomic1_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libatomic1:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libasan6:amd64. Preparing to unpack .../48-libasan6_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking libasan6:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package liblsan0:amd64. Preparing to unpack .../49-liblsan0_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking liblsan0:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libtsan0:amd64. Preparing to unpack .../50-libtsan0_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking libtsan0:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package libubsan1:amd64. Preparing to unpack .../51-libubsan1_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libubsan1:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libquadmath0:amd64. Preparing to unpack .../52-libquadmath0_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libquadmath0:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libgcc-11-dev:amd64. Preparing to unpack .../53-libgcc-11-dev_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking libgcc-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package gcc-11. Preparing to unpack .../54-gcc-11_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking gcc-11 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package gcc. Preparing to unpack .../55-gcc_4%3a11.2.0-1ubuntu1_amd64.deb ... Unpacking gcc (4:11.2.0-1ubuntu1) ... Selecting previously unselected package libc-dev-bin. Preparing to unpack .../56-libc-dev-bin_2.35-0ubuntu3.4_amd64.deb ... Unpacking libc-dev-bin (2.35-0ubuntu3.4) ... Selecting previously unselected package linux-libc-dev:amd64. Preparing to unpack .../57-linux-libc-dev_5.15.0-89.99_amd64.deb ... Unpacking linux-libc-dev:amd64 (5.15.0-89.99) ... Selecting previously unselected package libcrypt-dev:amd64. Preparing to unpack .../58-libcrypt-dev_1%3a4.4.27-1_amd64.deb ... Unpacking libcrypt-dev:amd64 (1:4.4.27-1) ... Selecting previously unselected package rpcsvc-proto. Preparing to unpack .../59-rpcsvc-proto_1.4.2-0ubuntu6_amd64.deb ... Unpacking rpcsvc-proto (1.4.2-0ubuntu6) ... Selecting previously unselected package libtirpc-dev:amd64. Preparing to unpack .../60-libtirpc-dev_1.3.2-2ubuntu0.1_amd64.deb ... Unpacking libtirpc-dev:amd64 (1.3.2-2ubuntu0.1) ... Selecting previously unselected package libnsl-dev:amd64. Preparing to unpack .../61-libnsl-dev_1.3.0-2build2_amd64.deb ... Unpacking libnsl-dev:amd64 (1.3.0-2build2) ... Selecting previously unselected package libc6-dev:amd64. Preparing to unpack .../62-libc6-dev_2.35-0ubuntu3.4_amd64.deb ... Unpacking libc6-dev:amd64 (2.35-0ubuntu3.4) ... Selecting previously unselected package libstdc++-11-dev:amd64. Preparing to unpack .../63-libstdc++-11-dev_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking libstdc++-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package g++-11. Preparing to unpack .../64-g++-11_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking g++-11 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package g++. Preparing to unpack .../65-g++_4%3a11.2.0-1ubuntu1_amd64.deb ... Unpacking g++ (4:11.2.0-1ubuntu1) ... Selecting previously unselected package libgfortran5:amd64. Preparing to unpack .../66-libgfortran5_12.3.0-1ubuntu1~22.04_amd64.deb ... Unpacking libgfortran5:amd64 (12.3.0-1ubuntu1~22.04) ... Selecting previously unselected package libgfortran-11-dev:amd64. Preparing to unpack .../67-libgfortran-11-dev_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking libgfortran-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package gfortran-11. Preparing to unpack .../68-gfortran-11_11.4.0-1ubuntu1~22.04_amd64.deb ... Unpacking gfortran-11 (11.4.0-1ubuntu1~22.04) ... Selecting previously unselected package gfortran. Preparing to unpack .../69-gfortran_4%3a11.2.0-1ubuntu1_amd64.deb ... Unpacking gfortran (4:11.2.0-1ubuntu1) ... Selecting previously unselected package libbrotli1:amd64. Preparing to unpack .../70-libbrotli1_1.0.9-2build6_amd64.deb ... Unpacking libbrotli1:amd64 (1.0.9-2build6) ... Selecting previously unselected package libsasl2-modules-db:amd64. Preparing to unpack .../71-libsasl2-modules-db_2.1.27+dfsg2-3ubuntu1.2_amd64.deb ... Unpacking libsasl2-modules-db:amd64 (2.1.27+dfsg2-3ubuntu1.2) ... Selecting previously unselected package libsasl2-2:amd64. Preparing to unpack .../72-libsasl2-2_2.1.27+dfsg2-3ubuntu1.2_amd64.deb ... Unpacking libsasl2-2:amd64 (2.1.27+dfsg2-3ubuntu1.2) ... Selecting previously unselected package libldap-2.5-0:amd64. Preparing to unpack .../73-libldap-2.5-0_2.5.16+dfsg-0ubuntu0.22.04.1_amd64.deb ... Unpacking libldap-2.5-0:amd64 (2.5.16+dfsg-0ubuntu0.22.04.1) ... Selecting previously unselected package librtmp1:amd64. Preparing to unpack .../74-librtmp1_2.4+20151223.gitfa8646d.1-2build4_amd64.deb ... Unpacking librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2build4) ... Selecting previously unselected package libssh-4:amd64. Preparing to unpack .../75-libssh-4_0.9.6-2ubuntu0.22.04.1_amd64.deb ... Unpacking libssh-4:amd64 (0.9.6-2ubuntu0.22.04.1) ... Selecting previously unselected package libcurl3-gnutls:amd64. Preparing to unpack .../76-libcurl3-gnutls_7.81.0-1ubuntu1.14_amd64.deb ... Unpacking libcurl3-gnutls:amd64 (7.81.0-1ubuntu1.14) ... Selecting previously unselected package liberror-perl. Preparing to unpack .../77-liberror-perl_0.17029-1_all.deb ... Unpacking liberror-perl (0.17029-1) ... Selecting previously unselected package git-man. Preparing to unpack .../78-git-man_1%3a2.34.1-1ubuntu1.10_all.deb ... Unpacking git-man (1:2.34.1-1ubuntu1.10) ... Selecting previously unselected package git. Preparing to unpack .../79-git_1%3a2.34.1-1ubuntu1.10_amd64.deb ... Unpacking git (1:2.34.1-1ubuntu1.10) ... Selecting previously unselected package libdpkg-perl. Preparing to unpack .../80-libdpkg-perl_1.21.1ubuntu2.2_all.deb ... Unpacking libdpkg-perl (1.21.1ubuntu2.2) ... Selecting previously unselected package libtool. Preparing to unpack .../81-libtool_2.4.6-15build2_all.deb ... Unpacking libtool (2.4.6-15build2) ... Selecting previously unselected package libtool-bin. Preparing to unpack .../82-libtool-bin_2.4.6-15build2_amd64.deb ... Unpacking libtool-bin (2.4.6-15build2) ... Selecting previously unselected package make. Preparing to unpack .../83-make_4.3-4.1build1_amd64.deb ... Unpacking make (4.3-4.1build1) ... Selecting previously unselected package patch. Preparing to unpack .../84-patch_2.7.6-7build2_amd64.deb ... Unpacking patch (2.7.6-7build2) ... Selecting previously unselected package pkg-config. Preparing to unpack .../85-pkg-config_0.29.2-1ubuntu3_amd64.deb ... Unpacking pkg-config (0.29.2-1ubuntu3) ... Selecting previously unselected package unzip. Preparing to unpack .../86-unzip_6.0-26ubuntu3.1_amd64.deb ... Unpacking unzip (6.0-26ubuntu3.1) ... Selecting previously unselected package zlib1g-dev:amd64. Preparing to unpack .../87-zlib1g-dev_1%3a1.2.11.dfsg-2ubuntu9.2_amd64.deb ... Unpacking zlib1g-dev:amd64 (1:1.2.11.dfsg-2ubuntu9.2) ... Setting up media-types (7.0.0) ... Setting up gcc-11-base:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up libpsl5:amd64 (0.21.0-1.2build2) ... Setting up wget (1.21.2-2ubuntu1) ... Setting up libmagic-mgc (1:5.41-3ubuntu0.1) ... Setting up libglib2.0-0:amd64 (2.72.4-0ubuntu2.2) ... No schema files found: doing nothing. Setting up unzip (6.0-26ubuntu3.1) ... Setting up libbrotli1:amd64 (1.0.9-2build6) ... Setting up libsqlite3-0:amd64 (3.37.2-2ubuntu0.1) ... Setting up binutils-common:amd64 (2.38-4ubuntu2.3) ... Setting up libnghttp2-14:amd64 (1.43.0-1ubuntu0.1) ... Setting up libmagic1:amd64 (1:5.41-3ubuntu0.1) ... Setting up less (590-1ubuntu0.22.04.1) ... Setting up linux-libc-dev:amd64 (5.15.0-89.99) ... Setting up libctf-nobfd0:amd64 (2.38-4ubuntu2.3) ... Setting up file (1:5.41-3ubuntu0.1) ... Setting up libgomp1:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up perl-modules-5.34 (5.34.0-3ubuntu1.3) ... Setting up bzip2 (1.0.8-5build1) ... Setting up libopts25:amd64 (1:5.18.16-4) ... Setting up xxd (2:8.2.3995-1ubuntu2.13) ... Setting up libasan6:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up libsasl2-modules-db:amd64 (2.1.27+dfsg2-3ubuntu1.2) ... Setting up autotools-dev (20220109.1) ... Setting up libtirpc-dev:amd64 (1.3.2-2ubuntu0.1) ... Setting up rpcsvc-proto (1.4.2-0ubuntu6) ... Setting up make (4.3-4.1build1) ... Setting up libmpfr6:amd64 (4.1.0-3build3) ... Setting up librtmp1:amd64 (2.4+20151223.gitfa8646d.1-2build4) ... Setting up libsigsegv2:amd64 (2.13-1ubuntu3) ... Setting up libquadmath0:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up libmpc3:amd64 (1.2.1-2build1) ... Setting up libatomic1:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up patch (2.7.6-7build2) ... Setting up libgc1:amd64 (1:8.0.6-1.1build1) ... Setting up libltdl7:amd64 (2.4.6-15build2) ... Setting up libsasl2-2:amd64 (2.1.27+dfsg2-3ubuntu1.2) ... Setting up libssh-4:amd64 (0.9.6-2ubuntu0.22.04.1) ... Setting up libgfortran5:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up libubsan1:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up nano (6.2-1) ... update-alternatives: using /bin/nano to provide /usr/bin/editor (editor) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/editor.1.gz because associated file /usr/share/man/man1/nano.1.gz (of link group editor) doesn't exist update-alternatives: using /bin/nano to provide /usr/bin/pico (pico) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/pico.1.gz because associated file /usr/share/man/man1/nano.1.gz (of link group pico) doesn't exist Setting up libnsl-dev:amd64 (1.3.0-2build2) ... Setting up libcrypt-dev:amd64 (1:4.4.27-1) ... Setting up libmpdec3:amd64 (2.5.1-2build2) ... Setting up git-man (1:2.34.1-1ubuntu1.10) ... Setting up libbinutils:amd64 (2.38-4ubuntu2.3) ... Setting up libisl23:amd64 (0.24-2build1) ... Setting up libc-dev-bin (2.35-0ubuntu3.4) ... Setting up openssl (3.0.2-0ubuntu1.12) ... Setting up readline-common (8.1.2-1) ... Setting up libcc1-0:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up liblsan0:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up libitm1:amd64 (12.3.0-1ubuntu1~22.04) ... Setting up libgdbm6:amd64 (1.23-1) ... Setting up libicu70:amd64 (70.1-2) ... Setting up libtsan0:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up libctf0:amd64 (2.38-4ubuntu2.3) ... Setting up cpp-11 (11.4.0-1ubuntu1~22.04) ... Setting up libopts25-dev:amd64 (1:5.18.16-4) ... Setting up libreadline8:amd64 (8.1.2-1) ... Setting up m4 (1.4.18-5ubuntu2) ... Setting up libldap-2.5-0:amd64 (2.5.16+dfsg-0ubuntu0.22.04.1) ... Setting up libpython3.10-stdlib:amd64 (3.10.12-1~22.04.3) ... Setting up ca-certificates (20230311ubuntu0.22.04.1) ... Updating certificates in /etc/ssl/certs... 137 added, 0 removed; done. Setting up libgdbm-compat4:amd64 (1.23-1) ... Setting up libgcc-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up cpp (4:11.2.0-1ubuntu1) ... Setting up libc6-dev:amd64 (2.35-0ubuntu3.4) ... Setting up libxml2:amd64 (2.9.13+dfsg-1ubuntu0.3) ... Setting up guile-2.2-libs:amd64 (2.2.7+1-6build2) ... Setting up libpython3-stdlib:amd64 (3.10.6-1~22.04) ... Setting up binutils-x86-64-linux-gnu (2.38-4ubuntu2.3) ... Setting up libperl5.34:amd64 (5.34.0-3ubuntu1.3) ... Setting up python3.10 (3.10.12-1~22.04.3) ... Setting up libgfortran-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up libcurl3-gnutls:amd64 (7.81.0-1ubuntu1.14) ... Setting up python3 (3.10.6-1~22.04) ... Setting up binutils (2.38-4ubuntu2.3) ... Setting up perl (5.34.0-3ubuntu1.3) ... Setting up libdpkg-perl (1.21.1ubuntu2.2) ... Setting up autoconf (2.71-2) ... Setting up libstdc++-11-dev:amd64 (11.4.0-1ubuntu1~22.04) ... Setting up zlib1g-dev:amd64 (1:1.2.11.dfsg-2ubuntu9.2) ... Setting up gcc-11 (11.4.0-1ubuntu1~22.04) ... Setting up automake (1:1.16.5-1.3) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/automake.1.gz because associated file /usr/share/man/man1/automake-1.16.1.gz (of link group automake) doesn't exist update-alternatives: warning: skip creation of /usr/share/man/man1/aclocal.1.gz because associated file /usr/share/man/man1/aclocal-1.16.1.gz (of link group automake) doesn't exist Setting up libtool (2.4.6-15build2) ... Setting up g++-11 (11.4.0-1ubuntu1~22.04) ... Setting up gcc (4:11.2.0-1ubuntu1) ... Setting up autogen (1:5.18.16-4) ... Setting up liberror-perl (0.17029-1) ... Setting up pkg-config (0.29.2-1ubuntu3) ... Setting up git (1:2.34.1-1ubuntu1.10) ... Setting up gfortran-11 (11.4.0-1ubuntu1~22.04) ... Setting up g++ (4:11.2.0-1ubuntu1) ... update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/c++.1.gz because associated file /usr/share/man/man1/g++.1.gz (of link group c++) doesn't exist Setting up libtool-bin (2.4.6-15build2) ... Setting up gfortran (4:11.2.0-1ubuntu1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f95.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f95) doesn't exist update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f77.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f77) doesn't exist Processing triggers for libc-bin (2.35-0ubuntu3.4) ... Processing triggers for ca-certificates (20230311ubuntu0.22.04.1) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. Removing intermediate container f3ee8f1d125a ---> 7b69e1202a15 Step 5/41 : RUN mkdir scripts ---> Running in 6b08254d5b24 Removing intermediate container 6b08254d5b24 ---> 9db78e081f6f Step 6/41 : COPY ./tools/toolchain/scripts/VERSION ./tools/toolchain/scripts/parse_if.py ./tools/toolchain/scripts/tool_kit.sh ./tools/toolchain/scripts/common_vars.sh ./tools/toolchain/scripts/signal_trap.sh ./tools/toolchain/scripts/get_openblas_arch.sh ./scripts/ ---> 5289cee94619 Step 7/41 : COPY ./tools/toolchain/install_cp2k_toolchain.sh . ---> 0eeb776dbed7 Step 8/41 : RUN ./install_cp2k_toolchain.sh --install-all --with-gcc=system --dry-run ---> Running in ffde979de609 WARNING: (./install_cp2k_toolchain.sh, line 335) No MPI installation detected (ignore this message in Cray Linux Environment or when MPI installation was requested). Compiling with 32 processes for target native. Wrote only configuration files (--dry-run). Removing intermediate container ffde979de609 ---> cb4da4eeb953 Step 9/41 : COPY ./tools/toolchain/scripts/stage0/ ./scripts/stage0/ ---> d27717f63420 Step 10/41 : RUN ./scripts/stage0/install_stage0.sh && rm -rf ./build ---> Running in 423d18babef0 ==================== Finding GCC from system paths ==================== path to gcc is /usr/bin/gcc path to g++ is /usr/bin/g++ path to gfortran is /usr/bin/gfortran Found include directory /usr/include Step gcc took 0.00 seconds. Step intel took 0.00 seconds. ==================== Getting proc arch info using OpenBLAS tools ==================== wget --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.24.tar.gz OpenBLAS-0.3.24.tar.gz: OK Checksum of OpenBLAS-0.3.24.tar.gz Ok OpenBLAS detected LIBCORE = zen OpenBLAS detected ARCH = x86_64 ==================== Installing CMake ==================== wget --quiet https://www.cp2k.org/static/downloads/cmake-3.27.6-linux-x86_64.sh cmake-3.27.6-linux-x86_64.sh: OK Checksum of cmake-3.27.6-linux-x86_64.sh Ok Installing from scratch into /opt/cp2k-toolchain/install/cmake-3.27.6 Step cmake took 5.00 seconds. Removing intermediate container 423d18babef0 ---> dc6973af7108 Step 11/41 : COPY ./tools/toolchain/scripts/stage1/ ./scripts/stage1/ ---> 423463c65d4f Step 12/41 : RUN ./scripts/stage1/install_stage1.sh && rm -rf ./build ---> Running in 733407ad41ed ==================== Installing MPICH ==================== wget --quiet https://www.cp2k.org/static/downloads/mpich-4.0.3.tar.gz mpich-4.0.3.tar.gz: OK Checksum of mpich-4.0.3.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/mpich-4.0.3 for MPICH device ch4 Found directory /opt/cp2k-toolchain/install/mpich-4.0.3/bin Found directory /opt/cp2k-toolchain/install/mpich-4.0.3/lib Found directory /opt/cp2k-toolchain/install/mpich-4.0.3/include mpiexec is installed as /opt/cp2k-toolchain/install/mpich-4.0.3/bin/mpiexec mpicc is installed as /opt/cp2k-toolchain/install/mpich-4.0.3/bin/mpicc mpicxx is installed as /opt/cp2k-toolchain/install/mpich-4.0.3/bin/mpicxx mpifort is installed as /opt/cp2k-toolchain/install/mpich-4.0.3/bin/mpifort Step mpich took 567.00 seconds. Removing intermediate container 733407ad41ed ---> 43ddb4f045d6 Step 13/41 : COPY ./tools/toolchain/scripts/stage2/ ./scripts/stage2/ ---> 41635655bfd5 Step 14/41 : RUN ./scripts/stage2/install_stage2.sh && rm -rf ./build ---> Running in 072cecfdd2e4 ==================== Installing OpenBLAS ==================== wget --quiet https://www.cp2k.org/static/downloads/OpenBLAS-0.3.24.tar.gz OpenBLAS-0.3.24.tar.gz: OK Checksum of OpenBLAS-0.3.24.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/openblas-0.3.24 Installing OpenBLAS library for target ZEN Step openblas took 128.00 seconds. Removing intermediate container 072cecfdd2e4 ---> 0e764dc0d5a8 Step 15/41 : COPY ./tools/toolchain/scripts/stage3/ ./scripts/stage3/ ---> b1b84cd687bf Step 16/41 : RUN ./scripts/stage3/install_stage3.sh && rm -rf ./build ---> Running in 50419028a729 ==================== Installing FFTW ==================== wget --quiet https://www.cp2k.org/static/downloads/fftw-3.3.10.tar.gz fftw-3.3.10.tar.gz: OK Checksum of fftw-3.3.10.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/fftw-3.3.10 Step fftw took 54.00 seconds. ==================== Installing LIBINT ==================== wget --quiet https://www.cp2k.org/static/downloads/libint-v2.6.0-cp2k-lmax-5.tgz libint-v2.6.0-cp2k-lmax-5.tgz: OK Checksum of libint-v2.6.0-cp2k-lmax-5.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/libint-v2.6.0-cp2k-lmax-5 Step libint took 764.00 seconds. ==================== Installing LIBXC ==================== wget --quiet https://www.cp2k.org/static/downloads/libxc-6.2.2.tar.gz libxc-6.2.2.tar.gz: OK Checksum of libxc-6.2.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxc-6.2.2 Step libxc took 72.00 seconds. Removing intermediate container 50419028a729 ---> 6356d7434e9a Step 17/41 : COPY ./tools/toolchain/scripts/stage4/ ./scripts/stage4/ ---> 38dd9d8a7040 Step 18/41 : RUN ./scripts/stage4/install_stage4.sh && rm -rf ./build ---> Running in 021fcbb62b49 ==================== Installing Libxsmm ==================== wget --quiet https://www.cp2k.org/static/downloads/libxsmm-1.17.tar.gz libxsmm-1.17.tar.gz: OK Checksum of libxsmm-1.17.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libxsmm-1.17 Step libxsmm took 12.00 seconds. ==================== Installing ScaLAPACK ==================== wget --quiet https://www.cp2k.org/static/downloads/scalapack-2.2.1.tgz scalapack-2.2.1.tgz: OK Checksum of scalapack-2.2.1.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/scalapack-2.2.1 Step scalapack took 15.00 seconds. ==================== Installing COSMA ==================== wget --quiet https://www.cp2k.org/static/downloads/COSMA-v2.6.6.tar.gz COSMA-v2.6.6.tar.gz: OK Checksum of COSMA-v2.6.6.tar.gz Ok wget --quiet https://www.cp2k.org/static/downloads/COSTA-v2.2.2.tar.gz COSTA-v2.2.2.tar.gz: OK Checksum of COSTA-v2.2.2.tar.gz Ok wget --quiet https://www.cp2k.org/static/downloads/Tiled-MM-v2.2.tar.gz Tiled-MM-v2.2.tar.gz: OK Checksum of Tiled-MM-v2.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/COSMA-2.6.6 Step cosma took 23.00 seconds. Removing intermediate container 021fcbb62b49 ---> 3345a9b3d803 Step 19/41 : COPY ./tools/toolchain/scripts/stage5/ ./scripts/stage5/ ---> 5f625a340e0c Step 20/41 : RUN ./scripts/stage5/install_stage5.sh && rm -rf ./build ---> Running in 3668be1a1cc9 ==================== Installing ELPA ==================== wget --quiet https://www.cp2k.org/static/downloads/elpa-2023.05.001.tar.gz elpa-2023.05.001.tar.gz: OK Checksum of elpa-2023.05.001.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/elpa-2023.05.001/cpu Step elpa took 56.00 seconds. ==================== Installing PT-Scotch ==================== wget --quiet https://www.cp2k.org/static/downloads/scotch_6.0.0.tar.gz scotch_6.0.0.tar.gz: OK Checksum of scotch_6.0.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/scotch-6.0.0 Step ptscotch took 5.00 seconds. ==================== Installing SuperLU_DIST ==================== wget --quiet https://www.cp2k.org/static/downloads/superlu_dist_6.1.0.tar.gz superlu_dist_6.1.0.tar.gz: OK Checksum of superlu_dist_6.1.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/superlu_dist-6.1.0 Step superlu took 7.00 seconds. ==================== Installing PEXSI ==================== wget --quiet https://www.cp2k.org/static/downloads/pexsi_v1.2.0.tar.gz pexsi_v1.2.0.tar.gz: OK Checksum of pexsi_v1.2.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/pexsi-1.2.0 Step pexsi took 60.00 seconds. Removing intermediate container 3668be1a1cc9 ---> f5e540d2493d Step 21/41 : COPY ./tools/toolchain/scripts/stage6/ ./scripts/stage6/ ---> 8a8f77579729 Step 22/41 : RUN ./scripts/stage6/install_stage6.sh && rm -rf ./build ---> Running in d16148e72d9e ==================== Installing QUIP ==================== wget --quiet https://www.cp2k.org/static/downloads/QUIP-0.9.10.tar.gz QUIP-0.9.10.tar.gz: OK Checksum of QUIP-0.9.10.tar.gz Ok wget --quiet https://www.cp2k.org/static/downloads/fox-b5b69ef9a46837bd944ba5c9bc1cf9d00a6198a7.tar.gz fox-b5b69ef9a46837bd944ba5c9bc1cf9d00a6198a7.tar.gz: OK Checksum of fox-b5b69ef9a46837bd944ba5c9bc1cf9d00a6198a7.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/quip-0.9.10 Step quip took 207.00 seconds. ==================== Installing gsl ==================== wget --quiet https://www.cp2k.org/static/downloads/gsl-2.7.tar.gz gsl-2.7.tar.gz: OK Checksum of gsl-2.7.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/gsl-2.7 Step gsl took 40.00 seconds. ==================== Installing PLUMED ==================== wget --quiet https://www.cp2k.org/static/downloads/plumed-src-2.9.0.tgz plumed-src-2.9.0.tgz: OK Checksum of plumed-src-2.9.0.tgz Ok Installing from scratch into /opt/cp2k-toolchain/install/plumed-2.9.0 Step plumed took 92.00 seconds. Removing intermediate container d16148e72d9e ---> 661ce730dcab Step 23/41 : COPY ./tools/toolchain/scripts/stage7/ ./scripts/stage7/ ---> 33416ca1ea09 Step 24/41 : RUN ./scripts/stage7/install_stage7.sh && rm -rf ./build ---> Running in 12f1d60c145c ==================== Installing hdf5 ==================== wget --quiet https://www.cp2k.org/static/downloads/hdf5-1.14.2.tar.bz2 hdf5-1.14.2.tar.bz2: OK Checksum of hdf5-1.14.2.tar.bz2 Ok Installing from scratch into /opt/cp2k-toolchain/install/hdf5-1.14.2 Step hdf5 took 139.00 seconds. ==================== Installing libvdwxc ==================== wget --quiet https://www.cp2k.org/static/downloads/libvdwxc-0.4.0.tar.gz libvdwxc-0.4.0.tar.gz: OK Checksum of libvdwxc-0.4.0.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libvdwxc-0.4.0 Step libvdwxc took 20.00 seconds. ==================== Installing spglib ==================== wget --quiet https://www.cp2k.org/static/downloads/spglib-1.16.2.tar.gz spglib-1.16.2.tar.gz: OK Checksum of spglib-1.16.2.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/spglib-1.16.2 Step spglib took 6.00 seconds. ==================== Installing libvori ==================== wget --quiet https://www.cp2k.org/static/downloads/libvori-220621.tar.gz libvori-220621.tar.gz: OK Checksum of libvori-220621.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/libvori-220621 Step libvori took 16.00 seconds. ==================== Installing libtorch ==================== wget --quiet https://www.cp2k.org/static/downloads/libtorch-cxx11-abi-shared-with-deps-1.12.1+cpu.zip libtorch-cxx11-abi-shared-with-deps-1.12.1+cpu.zip: OK Checksum of libtorch-cxx11-abi-shared-with-deps-1.12.1+cpu.zip Ok Installing from scratch into /opt/cp2k-toolchain/install/libtorch-1.12.1 Step libtorch took 14.00 seconds. Removing intermediate container 12f1d60c145c ---> 6c3a4b6fa5df Step 25/41 : COPY ./tools/toolchain/scripts/stage8/ ./scripts/stage8/ ---> 4ff6756de1f4 Step 26/41 : RUN ./scripts/stage8/install_stage8.sh && rm -rf ./build ---> Running in 9065c7d8e28a ==================== Installing spfft ==================== wget --quiet https://www.cp2k.org/static/downloads/SpFFT-1.0.6.tar.gz SpFFT-1.0.6.tar.gz: OK Checksum of SpFFT-1.0.6.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/SpFFT-1.0.6 Step spfft took 6.00 seconds. ==================== Installing spla ==================== wget --quiet https://www.cp2k.org/static/downloads/SpLA-1.5.5.tar.gz SpLA-1.5.5.tar.gz: OK Checksum of SpLA-1.5.5.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/SpLA-1.5.5 Step spla took 6.00 seconds. ==================== Installing SIRIUS ==================== wget --quiet https://www.cp2k.org/static/downloads/SIRIUS-7.4.3.tar.gz SIRIUS-7.4.3.tar.gz: OK Checksum of SIRIUS-7.4.3.tar.gz Ok Installing from scratch into /opt/cp2k-toolchain/install/sirius-7.4.3 Step sirius took 74.00 seconds. Removing intermediate container 9065c7d8e28a ---> 689e699d7b5d Step 27/41 : COPY ./tools/toolchain/scripts/arch_base.tmpl ./tools/toolchain/scripts/generate_arch_files.sh ./scripts/ ---> a1de522a57f3 Step 28/41 : RUN ./scripts/generate_arch_files.sh && rm -rf ./build ---> Running in 3d2a29c7a40e ==================== generating arch files ==================== arch files can be found in the /opt/cp2k-toolchain/install/arch subdirectory Wrote /opt/cp2k-toolchain/install/arch/local.ssmp Wrote /opt/cp2k-toolchain/install/arch/local_static.ssmp Wrote /opt/cp2k-toolchain/install/arch/local.sdbg Wrote /opt/cp2k-toolchain/install/arch/local_asan.ssmp Wrote /opt/cp2k-toolchain/install/arch/local_coverage.sdbg Wrote /opt/cp2k-toolchain/install/arch/local.psmp Wrote /opt/cp2k-toolchain/install/arch/local.pdbg Wrote /opt/cp2k-toolchain/install/arch/local_asan.psmp Wrote /opt/cp2k-toolchain/install/arch/local_static.psmp Wrote /opt/cp2k-toolchain/install/arch/local_warn.psmp Wrote /opt/cp2k-toolchain/install/arch/local_coverage.pdbg ========================== usage ========================= Done! Now copy: cp /opt/cp2k-toolchain/install/arch/* to the cp2k/arch/ directory To use the installed tools and libraries and cp2k version compiled with it you will first need to execute at the prompt: source /opt/cp2k-toolchain/install/setup To build CP2K you should change directory: cd cp2k/ make -j 32 ARCH=local VERSION="ssmp sdbg psmp pdbg" arch files for GPU enabled CUDA versions are named "local_cuda.*" arch files for GPU enabled HIP versions are named "local_hip.*" arch files for OpenCL (GPU) versions are named "local_opencl.*" arch files for coverage versions are named "local_coverage.*" Note that these pre-built arch files are for the GNU compiler, users have to adapt them for other compilers. It is possible to use the provided CP2K arch files as guidance. Removing intermediate container 3d2a29c7a40e ---> 4725bf296237 Step 29/41 : WORKDIR /opt/cp2k ---> Running in 85cc4787121f Removing intermediate container 85cc4787121f ---> 3cdd59e07829 Step 30/41 : COPY ./Makefile . ---> 1f0f5c2868e5 Step 31/41 : COPY ./src ./src ---> 4b943dbaeb05 Step 32/41 : COPY ./exts ./exts ---> 82f398d60845 Step 33/41 : COPY ./tools/build_utils ./tools/build_utils ---> b26f3f6108f6 Step 34/41 : RUN /bin/bash -c " mkdir -p arch && ln -vs /opt/cp2k-toolchain/install/arch/local.sdbg ./arch/" ---> Running in c76c8a0c9328 './arch/local.sdbg' -> '/opt/cp2k-toolchain/install/arch/local.sdbg' Removing intermediate container c76c8a0c9328 ---> f1ebbef7fd1c Step 35/41 : COPY ./data ./data ---> 176838449854 Step 36/41 : COPY ./tests ./tests ---> d671f0bf458b Step 37/41 : COPY ./tools/regtesting ./tools/regtesting ---> 81d9b613d184 Step 38/41 : COPY ./tools/docker/scripts/test_aiida.sh . ---> b93457f798db Step 39/41 : RUN ./test_aiida.sh 2>&1 | tee report.log ---> Running in b5afb02af78c ========== Compiling CP2K ========== Compiling cp2k... done. ========== Installing Dependencies ========== 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 ... 13440 files and directories currently installed.) Preparing to unpack .../00-cron_3.0pl1-137ubuntu3_amd64.deb ... Unpacking cron (3.0pl1-137ubuntu3) ... Selecting previously unselected package libmd0:amd64. Preparing to unpack .../01-libmd0_1.0.4-1build1_amd64.deb ... Unpacking libmd0:amd64 (1.0.4-1build1) ... Selecting previously unselected package libbsd0:amd64. Preparing to unpack .../02-libbsd0_0.11.5-1_amd64.deb ... Unpacking libbsd0:amd64 (0.11.5-1) ... Selecting previously unselected package libedit2:amd64. Preparing to unpack .../03-libedit2_3.1-20210910-1build1_amd64.deb ... Unpacking libedit2:amd64 (3.1-20210910-1build1) ... Selecting previously unselected package libcbor0.8:amd64. Preparing to unpack .../04-libcbor0.8_0.8.0-2ubuntu1_amd64.deb ... Unpacking libcbor0.8:amd64 (0.8.0-2ubuntu1) ... Selecting previously unselected package libfido2-1:amd64. Preparing to unpack .../05-libfido2-1_1.10.0-1_amd64.deb ... Unpacking libfido2-1:amd64 (1.10.0-1) ... Selecting previously unselected package openssh-client. Preparing to unpack .../06-openssh-client_1%3a8.9p1-3ubuntu0.4_amd64.deb ... Unpacking openssh-client (1:8.9p1-3ubuntu0.4) ... Selecting previously unselected package openssh-sftp-server. Preparing to unpack .../07-openssh-sftp-server_1%3a8.9p1-3ubuntu0.4_amd64.deb ... Unpacking openssh-sftp-server (1:8.9p1-3ubuntu0.4) ... Selecting previously unselected package ucf. Preparing to unpack .../08-ucf_3.0043_all.deb ... Moving old data out of the way Unpacking ucf (3.0043) ... Selecting previously unselected package libwrap0:amd64. Preparing to unpack .../09-libwrap0_7.6.q-31build2_amd64.deb ... Unpacking libwrap0:amd64 (7.6.q-31build2) ... Selecting previously unselected package openssh-server. Preparing to unpack .../10-openssh-server_1%3a8.9p1-3ubuntu0.4_amd64.deb ... Unpacking openssh-server (1:8.9p1-3ubuntu0.4) ... Selecting previously unselected package ssh. Preparing to unpack .../11-ssh_1%3a8.9p1-3ubuntu0.4_all.deb ... Unpacking ssh (1:8.9p1-3ubuntu0.4) ... Selecting previously unselected package libpopt0:amd64. Preparing to unpack .../12-libpopt0_1.18-3build1_amd64.deb ... Unpacking libpopt0:amd64 (1.18-3build1) ... Selecting previously unselected package locales. Preparing to unpack .../13-locales_2.35-0ubuntu3.4_all.deb ... Unpacking locales (2.35-0ubuntu3.4) ... Selecting previously unselected package logrotate. Preparing to unpack .../14-logrotate_3.19.0-1ubuntu1.1_amd64.deb ... Unpacking logrotate (3.19.0-1ubuntu1.1) ... Selecting previously unselected package netbase. Preparing to unpack .../15-netbase_6.3_all.deb ... Unpacking netbase (6.3) ... Selecting previously unselected package python3-pkg-resources. Preparing to unpack .../16-python3-pkg-resources_59.6.0-1.2ubuntu0.22.04.1_all.deb ... Unpacking python3-pkg-resources (59.6.0-1.2ubuntu0.22.04.1) ... Selecting previously unselected package sudo. Preparing to unpack .../17-sudo_1.9.9-1ubuntu2.4_amd64.deb ... Unpacking sudo (1.9.9-1ubuntu2.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../18-tzdata_2023c-0ubuntu0.22.04.2_all.deb ... Unpacking tzdata (2023c-0ubuntu0.22.04.2) ... Selecting previously unselected package erlang-base. Preparing to unpack .../19-erlang-base_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-base (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-asn1. Preparing to unpack .../20-erlang-asn1_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-asn1 (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-crypto. Preparing to unpack .../21-erlang-crypto_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-crypto (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-public-key. Preparing to unpack .../22-erlang-public-key_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-public-key (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-mnesia. Preparing to unpack .../23-erlang-mnesia_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-mnesia (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-runtime-tools. Preparing to unpack .../24-erlang-runtime-tools_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-runtime-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-ssl. Preparing to unpack .../25-erlang-ssl_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-ssl (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-eldap. Preparing to unpack .../26-erlang-eldap_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-eldap (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-ftp. Preparing to unpack .../27-erlang-ftp_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-ftp (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-tftp. Preparing to unpack .../28-erlang-tftp_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-tftp (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-inets. Preparing to unpack .../29-erlang-inets_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-inets (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-snmp. Preparing to unpack .../30-erlang-snmp_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-snmp (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-os-mon. Preparing to unpack .../31-erlang-os-mon_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-os-mon (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-parsetools. Preparing to unpack .../32-erlang-parsetools_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-parsetools (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-syntax-tools. Preparing to unpack .../33-erlang-syntax-tools_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-syntax-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-tools. Preparing to unpack .../34-erlang-tools_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package erlang-xmerl. Preparing to unpack .../35-erlang-xmerl_1%3a24.2.1+dfsg-1ubuntu0.1_amd64.deb ... Unpacking erlang-xmerl (1:24.2.1+dfsg-1ubuntu0.1) ... Selecting previously unselected package libexpat1-dev:amd64. Preparing to unpack .../36-libexpat1-dev_2.4.7-1ubuntu0.2_amd64.deb ... Unpacking libexpat1-dev:amd64 (2.4.7-1ubuntu0.2) ... Selecting previously unselected package libjs-jquery. Preparing to unpack .../37-libjs-jquery_3.6.0+dfsg+~3.5.13-1_all.deb ... Unpacking libjs-jquery (3.6.0+dfsg+~3.5.13-1) ... Selecting previously unselected package libjs-underscore. Preparing to unpack .../38-libjs-underscore_1.13.2~dfsg-2_all.deb ... Unpacking libjs-underscore (1.13.2~dfsg-2) ... Selecting previously unselected package libjs-sphinxdoc. Preparing to unpack .../39-libjs-sphinxdoc_4.3.2-1_all.deb ... Unpacking libjs-sphinxdoc (4.3.2-1) ... Selecting previously unselected package libjson-perl. Preparing to unpack .../40-libjson-perl_4.04000-1_all.deb ... Unpacking libjson-perl (4.04000-1) ... Selecting previously unselected package libllvm14:amd64. Preparing to unpack .../41-libllvm14_1%3a14.0.0-1ubuntu1.1_amd64.deb ... Unpacking libllvm14:amd64 (1:14.0.0-1ubuntu1.1) ... Selecting previously unselected package libpq5:amd64. Preparing to unpack .../42-libpq5_14.9-0ubuntu0.22.04.1_amd64.deb ... Unpacking libpq5:amd64 (14.9-0ubuntu0.22.04.1) ... Selecting previously unselected package libssl-dev:amd64. Preparing to unpack .../43-libssl-dev_3.0.2-0ubuntu1.12_amd64.deb ... Unpacking libssl-dev:amd64 (3.0.2-0ubuntu1.12) ... Selecting previously unselected package libpq-dev. Preparing to unpack .../44-libpq-dev_14.9-0ubuntu0.22.04.1_amd64.deb ... Unpacking libpq-dev (14.9-0ubuntu0.22.04.1) ... Selecting previously unselected package libpython3.10:amd64. Preparing to unpack .../45-libpython3.10_3.10.12-1~22.04.3_amd64.deb ... Unpacking libpython3.10:amd64 (3.10.12-1~22.04.3) ... Selecting previously unselected package libpython3.10-dev:amd64. Preparing to unpack .../46-libpython3.10-dev_3.10.12-1~22.04.3_amd64.deb ... Unpacking libpython3.10-dev:amd64 (3.10.12-1~22.04.3) ... Selecting previously unselected package libpython3-dev:amd64. Preparing to unpack .../47-libpython3-dev_3.10.6-1~22.04_amd64.deb ... Unpacking libpython3-dev:amd64 (3.10.6-1~22.04) ... Selecting previously unselected package libxslt1.1:amd64. Preparing to unpack .../48-libxslt1.1_1.1.34-4ubuntu0.22.04.1_amd64.deb ... Unpacking libxslt1.1:amd64 (1.1.34-4ubuntu0.22.04.1) ... Selecting previously unselected package postgresql-client-common. Preparing to unpack .../49-postgresql-client-common_238_all.deb ... Unpacking postgresql-client-common (238) ... Selecting previously unselected package postgresql-client-14. Preparing to unpack .../50-postgresql-client-14_14.9-0ubuntu0.22.04.1_amd64.deb ... Unpacking postgresql-client-14 (14.9-0ubuntu0.22.04.1) ... Selecting previously unselected package ssl-cert. Preparing to unpack .../51-ssl-cert_1.1.2_all.deb ... Unpacking ssl-cert (1.1.2) ... Selecting previously unselected package postgresql-common. Preparing to unpack .../52-postgresql-common_238_all.deb ... Adding 'diversion of /usr/bin/pg_config to /usr/bin/pg_config.libpq-dev by postgresql-common' Unpacking postgresql-common (238) ... Selecting previously unselected package postgresql-14. Preparing to unpack .../53-postgresql-14_14.9-0ubuntu0.22.04.1_amd64.deb ... Unpacking postgresql-14 (14.9-0ubuntu0.22.04.1) ... Selecting previously unselected package postgresql. Preparing to unpack .../54-postgresql_14+238_all.deb ... Unpacking postgresql (14+238) ... Selecting previously unselected package python3-colorama. Preparing to unpack .../55-python3-colorama_0.4.4-1_all.deb ... Unpacking python3-colorama (0.4.4-1) ... Selecting previously unselected package python3-click. Preparing to unpack .../56-python3-click_8.0.3-1_all.deb ... Unpacking python3-click (8.0.3-1) ... Selecting previously unselected package python3.10-dev. Preparing to unpack .../57-python3.10-dev_3.10.12-1~22.04.3_amd64.deb ... Unpacking python3.10-dev (3.10.12-1~22.04.3) ... Selecting previously unselected package python3-lib2to3. Preparing to unpack .../58-python3-lib2to3_3.10.8-1~22.04_all.deb ... Unpacking python3-lib2to3 (3.10.8-1~22.04) ... Selecting previously unselected package python3-distutils. Preparing to unpack .../59-python3-distutils_3.10.8-1~22.04_all.deb ... Unpacking python3-distutils (3.10.8-1~22.04) ... Selecting previously unselected package python3-dev. Preparing to unpack .../60-python3-dev_3.10.6-1~22.04_amd64.deb ... Unpacking python3-dev (3.10.6-1~22.04) ... Selecting previously unselected package python3-setuptools. Preparing to unpack .../61-python3-setuptools_59.6.0-1.2ubuntu0.22.04.1_all.deb ... Unpacking python3-setuptools (59.6.0-1.2ubuntu0.22.04.1) ... Selecting previously unselected package python3-wheel. Preparing to unpack .../62-python3-wheel_0.37.1-2ubuntu0.22.04.1_all.deb ... Unpacking python3-wheel (0.37.1-2ubuntu0.22.04.1) ... Selecting previously unselected package python3-pip. Preparing to unpack .../63-python3-pip_22.0.2+dfsg-1ubuntu0.4_all.deb ... Unpacking python3-pip (22.0.2+dfsg-1ubuntu0.4) ... Selecting previously unselected package python3-six. Preparing to unpack .../64-python3-six_1.16.0-3ubuntu1_all.deb ... Unpacking python3-six (1.16.0-3ubuntu1) ... Selecting previously unselected package python3-reentry. Preparing to unpack .../65-python3-reentry_1.3.2-1_all.deb ... Unpacking python3-reentry (1.3.2-1) ... Selecting previously unselected package socat. Preparing to unpack .../66-socat_1.7.4.1-3ubuntu4_amd64.deb ... Unpacking socat (1.7.4.1-3ubuntu4) ... Selecting previously unselected package rabbitmq-server. Preparing to unpack .../67-rabbitmq-server_3.9.13-1ubuntu0.22.04.2_all.deb ... Unpacking rabbitmq-server (3.9.13-1ubuntu0.22.04.2) ... Setting up python3-pkg-resources (59.6.0-1.2ubuntu0.22.04.1) ... Setting up libpython3.10:amd64 (3.10.12-1~22.04.3) ... Setting up erlang-base (1:24.2.1+dfsg-1ubuntu0.1) ... Searching for services which depend on erlang and should be started... none found. Setting up python3-colorama (0.4.4-1) ... Setting up libcbor0.8:amd64 (0.8.0-2ubuntu1) ... Setting up erlang-xmerl (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up cron (3.0pl1-137ubuntu3) ... 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 (14.9-0ubuntu0.22.04.1) ... Setting up erlang-syntax-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up python3-click (8.0.3-1) ... Setting up locales (2.35-0ubuntu3.4) ... Generating locales (this might take a while)... Generation complete. Setting up tzdata (2023c-0ubuntu0.22.04.2) ... Current default time zone: 'Etc/UTC' Local time is now: Sat Dec 2 06:54:44 UTC 2023. Universal Time is now: Sat Dec 2 06:54:44 UTC 2023. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up python3-six (1.16.0-3ubuntu1) ... Setting up erlang-parsetools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libexpat1-dev:amd64 (2.4.7-1ubuntu0.2) ... Setting up libwrap0:amd64 (7.6.q-31build2) ... Setting up ssl-cert (1.1.2) ... Setting up socat (1.7.4.1-3ubuntu4) ... Setting up libssl-dev:amd64 (3.0.2-0ubuntu1.12) ... Setting up sudo (1.9.9-1ubuntu2.4) ... Setting up libpython3.10-dev:amd64 (3.10.12-1~22.04.3) ... Setting up ucf (3.0043) ... Setting up erlang-asn1 (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-tftp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up python3.10-dev (3.10.12-1~22.04.3) ... Setting up libmd0:amd64 (1.0.4-1build1) ... Setting up libjson-perl (4.04000-1) ... Setting up libxslt1.1:amd64 (1.1.34-4ubuntu0.22.04.1) ... Setting up erlang-mnesia (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up netbase (6.3) ... Setting up libjs-jquery (3.6.0+dfsg+~3.5.13-1) ... Setting up erlang-crypto (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libfido2-1:amd64 (1.10.0-1) ... Setting up libbsd0:amd64 (0.11.5-1) ... Setting up python3-lib2to3 (3.10.8-1~22.04) ... Setting up libjs-underscore (1.13.2~dfsg-2) ... Setting up libpopt0:amd64 (1.18-3build1) ... Setting up python3-distutils (3.10.8-1~22.04) ... Setting up logrotate (3.19.0-1ubuntu1.1) ... Setting up postgresql-client-common (238) ... Setting up libpython3-dev:amd64 (3.10.6-1~22.04) ... Setting up python3-setuptools (59.6.0-1.2ubuntu0.22.04.1) ... Setting up python3-reentry (1.3.2-1) ... Setting up erlang-runtime-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libedit2:amd64 (3.1-20210910-1build1) ... Setting up erlang-tools (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up libpq-dev (14.9-0ubuntu0.22.04.1) ... Setting up postgresql-client-14 (14.9-0ubuntu0.22.04.1) ... update-alternatives: using /usr/share/postgresql/14/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up python3-wheel (0.37.1-2ubuntu0.22.04.1) ... Setting up erlang-snmp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-public-key (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql-common (238) ... Adding user postgres to group ssl-cert Creating config file /etc/postgresql-common/createcluster.conf with new version Building PostgreSQL dictionaries from installed myspell/hunspell packages... Removing obsolete dictionary files: Setting up python3-pip (22.0.2+dfsg-1ubuntu0.4) ... Setting up libjs-sphinxdoc (4.3.2-1) ... Setting up libllvm14:amd64 (1:14.0.0-1ubuntu1.1) ... Setting up erlang-ssl (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql-14 (14.9-0ubuntu0.22.04.1) ... Creating new PostgreSQL cluster 14/main ... /usr/lib/postgresql/14/bin/initdb -D /var/lib/postgresql/14/main --auth-local peer --auth-host scram-sha-256 --no-instructions The files belonging to this database system will be owned by user "postgres". This user must also own the server process. The database cluster will be initialized with locale "C.UTF-8". The default database encoding has accordingly been set to "UTF8". The default text search configuration will be set to "english". Data page checksums are disabled. fixing permissions on existing directory /var/lib/postgresql/14/main ... ok creating subdirectories ... ok selecting dynamic shared memory implementation ... posix selecting default max_connections ... 100 selecting default shared_buffers ... 128MB selecting default time zone ... Etc/UTC creating configuration files ... ok running bootstrap script ... ok performing post-bootstrap initialization ... ok syncing data to disk ... ok update-alternatives: using /usr/share/postgresql/14/man/man1/postmaster.1.gz to provide /usr/share/man/man1/postmaster.1.gz (postmaster.1.gz) in auto mode invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up openssh-client (1:8.9p1-3ubuntu0.4) ... update-alternatives: using /usr/bin/ssh to provide /usr/bin/rsh (rsh) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rsh.1.gz because associated file /usr/share/man/man1/ssh.1.gz (of link group rsh) doesn't exist update-alternatives: using /usr/bin/slogin to provide /usr/bin/rlogin (rlogin) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rlogin.1.gz because associated file /usr/share/man/man1/slogin.1.gz (of link group rlogin) doesn't exist update-alternatives: using /usr/bin/scp to provide /usr/bin/rcp (rcp) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/rcp.1.gz because associated file /usr/share/man/man1/scp.1.gz (of link group rcp) doesn't exist Setting up erlang-os-mon (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up erlang-eldap (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up python3-dev (3.10.6-1~22.04) ... Setting up erlang-ftp (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up postgresql (14+238) ... Setting up openssh-sftp-server (1:8.9p1-3ubuntu0.4) ... Setting up openssh-server (1:8.9p1-3ubuntu0.4) ... Creating config file /etc/ssh/sshd_config with new version Creating SSH2 RSA key; this may take some time ... 3072 SHA256:hCS0k0gF5IYrYF2OH4GiH3RlVgFtyvJvD6a/6mrxQrg root@b5afb02af78c (RSA) Creating SSH2 ECDSA key; this may take some time ... 256 SHA256:X6YOKmvX1lMGRPjxeM3B6T7YY93adbLRkxWCYdH7ol8 root@b5afb02af78c (ECDSA) Creating SSH2 ED25519 key; this may take some time ... 256 SHA256:UK4qgr8aaSPf7MVMbemBeYm09wQ+fhdz3eGgkhg6hRE root@b5afb02af78c (ED25519) invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up erlang-inets (1:24.2.1+dfsg-1ubuntu0.1) ... Setting up rabbitmq-server (3.9.13-1ubuntu0.22.04.2) ... 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 (1:8.9p1-3ubuntu0.4) ... Processing triggers for libc-bin (2.35-0ubuntu3.4) ... ./test_aiida.sh: line 40: warning: setlocale: LC_ALL: cannot change locale (en_US.UTF-8) /bin/bash: warning: setlocale: LC_ALL: cannot change locale (en_US.UTF-8) Generating locales (this might take a while)... en_US.UTF-8... done Generation complete. Adding user `ubuntu' ... Adding new group `ubuntu' (1000) ... Adding new user `ubuntu' (1000) with group `ubuntu' ... Creating home directory `/home/ubuntu' ... Copying files from `/etc/skel' ... ========== Installing AiiDA-CP2K plugin ========== Processing /opt/aiida-cp2k Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting cp2k-output-tools Downloading cp2k_output_tools-0.5.0-py3-none-any.whl (22 kB) Collecting ruamel.yaml>=0.16.5 Downloading ruamel.yaml-0.18.5-py3-none-any.whl (116 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 116.4/116.4 KB 2.6 MB/s eta 0:00:00 Collecting ase Downloading ase-3.22.1-py3-none-any.whl (2.2 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 2.2/2.2 MB 18.5 MB/s eta 0:00:00 Collecting aiida-core<3.0.0,>=2.0.0 Downloading aiida_core-2.4.2-py3-none-any.whl (1.3 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.3/1.3 MB 74.9 MB/s eta 0:00:00 Collecting aiida-gaussian-datatypes Downloading aiida_gaussian_datatypes-0.5.1-py3-none-any.whl (25 kB) Collecting pre-commit~=2.19 Downloading pre_commit-2.21.0-py2.py3-none-any.whl (201 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 201.9/201.9 KB 28.1 MB/s eta 0:00:00 Collecting pgtest~=1.3 Downloading pgtest-1.3.2-py2.py3-none-any.whl (9.1 kB) Collecting pytest~=6.0 Downloading pytest-6.2.5-py3-none-any.whl (280 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 280.7/280.7 KB 50.3 MB/s eta 0:00:00 Collecting pytest-cov~=2.11.1 Downloading pytest_cov-2.11.1-py2.py3-none-any.whl (20 kB) Collecting coverage Downloading coverage-7.3.2-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (227 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 227.5/227.5 KB 26.0 MB/s eta 0:00:00 Collecting bumpver==2022.1119 Downloading bumpver-2022.1119-py2.py3-none-any.whl (56 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 56.9/56.9 KB 9.9 MB/s eta 0:00:00 Requirement already satisfied: click in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (8.0.3) Collecting lexid Downloading lexid-2021.1006-py2.py3-none-any.whl (7.6 kB) Requirement already satisfied: colorama>=0.4 in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (0.4.4) Collecting pathlib2 Downloading pathlib2-2.3.7.post1-py2.py3-none-any.whl (18 kB) Requirement already satisfied: setuptools>=45.0.0 in /usr/lib/python3/dist-packages (from bumpver==2022.1119->aiida-cp2k==2.0.0) (59.6.0) Collecting toml Downloading toml-0.10.2-py2.py3-none-any.whl (16 kB) Collecting upf_to_json~=0.9.2 Downloading upf_to_json-0.9.5-py3-none-any.whl (12 kB) Collecting jinja2~=3.0 Downloading Jinja2-3.1.2-py3-none-any.whl (133 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 133.1/133.1 KB 18.6 MB/s eta 0:00:00 Collecting pytz~=2021.1 Downloading pytz-2021.3-py2.py3-none-any.whl (503 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 503.5/503.5 KB 47.5 MB/s eta 0:00:00 Collecting psutil~=5.6 Downloading psutil-5.9.6-cp36-abi3-manylinux_2_12_x86_64.manylinux2010_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (283 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 283.6/283.6 KB 39.9 MB/s eta 0:00:00 Collecting requests~=2.0 Downloading requests-2.31.0-py3-none-any.whl (62 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 62.6/62.6 KB 3.1 MB/s eta 0:00:00 Collecting jedi<0.19 Downloading jedi-0.18.2-py2.py3-none-any.whl (1.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 5.9 MB/s eta 0:00:00 Collecting kiwipy[rmq]~=0.7.7 Downloading kiwipy-0.7.8-py3-none-any.whl (29 kB) Collecting importlib-metadata~=4.13 Downloading importlib_metadata-4.13.0-py3-none-any.whl (23 kB) Collecting wrapt~=1.11 Downloading wrapt-1.16.0-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (80 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 80.3/80.3 KB 237.5 kB/s eta 0:00:00 Collecting plumpy~=0.21.6 Downloading plumpy-0.21.10-py3-none-any.whl (74 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 74.4/74.4 KB 607.1 kB/s eta 0:00:00 Collecting tabulate~=0.8.5 Downloading tabulate-0.8.10-py3-none-any.whl (29 kB) Collecting circus~=0.18.0 Downloading circus-0.18.0-py3-none-any.whl (200 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 200.6/200.6 KB 34.1 MB/s eta 0:00:00 Collecting sqlalchemy~=1.4.22 Downloading SQLAlchemy-1.4.50-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 97.1 MB/s eta 0:00:00 Collecting aio-pika~=6.6 Downloading aio_pika-6.8.2-py3-none-any.whl (42 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 42.3/42.3 KB 11.6 MB/s eta 0:00:00 Collecting psycopg2-binary~=2.8 Downloading psycopg2_binary-2.9.9-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.0 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.0/3.0 MB 115.0 MB/s eta 0:00:00 Collecting archive-path~=0.4.2 Downloading archive_path-0.4.2-py3-none-any.whl (18 kB) Collecting jsonschema~=3.0 Downloading jsonschema-3.2.0-py2.py3-none-any.whl (56 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 56.3/56.3 KB 10.5 MB/s eta 0:00:00 Collecting graphviz~=0.19 Downloading graphviz-0.20.1-py3-none-any.whl (47 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 47.0/47.0 KB 8.3 MB/s eta 0:00:00 Collecting alembic~=1.2 Downloading alembic-1.13.0-py3-none-any.whl (230 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 230.6/230.6 KB 32.0 MB/s eta 0:00:00 Collecting pyyaml~=6.0 Downloading PyYAML-6.0.1-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (705 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 705.5/705.5 KB 65.7 MB/s eta 0:00:00 Collecting ipython>=7 Downloading ipython-8.18.1-py3-none-any.whl (808 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 808.2/808.2 KB 70.1 MB/s eta 0:00:00 Collecting click Downloading click-8.1.7-py3-none-any.whl (97 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 97.9/97.9 KB 17.2 MB/s eta 0:00:00 Collecting docstring-parser Downloading docstring_parser-0.15-py3-none-any.whl (36 kB) Collecting paramiko>=2.7.2,~=2.7 Downloading paramiko-2.12.0-py2.py3-none-any.whl (213 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 213.1/213.1 KB 33.4 MB/s eta 0:00:00 Collecting disk-objectstore~=0.6.0 Downloading disk_objectstore-0.6.0-py3-none-any.whl (64 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 64.9/64.9 KB 12.1 MB/s eta 0:00:00 Collecting tqdm~=4.45 Downloading tqdm-4.66.1-py3-none-any.whl (78 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 78.3/78.3 KB 14.5 MB/s eta 0:00:00 Collecting click-spinner~=0.1.8 Downloading click_spinner-0.1.10-py2.py3-none-any.whl (4.0 kB) Collecting pgsu~=0.2.1 Downloading pgsu-0.2.4.tar.gz (9.9 kB) Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' Collecting numpy~=1.21 Downloading numpy-1.26.2-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (18.2 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 18.2/18.2 MB 60.7 MB/s eta 0:00:00 Collecting pg8000>=1.10 Downloading pg8000-1.30.3-py3-none-any.whl (54 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 54.4/54.4 KB 10.8 MB/s eta 0:00:00 Collecting identify>=1.0.0 Downloading identify-2.5.32-py2.py3-none-any.whl (98 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 98.9/98.9 KB 18.0 MB/s eta 0:00:00 Collecting nodeenv>=0.11.1 Downloading nodeenv-1.8.0-py2.py3-none-any.whl (22 kB) Collecting virtualenv>=20.10.0 Downloading virtualenv-20.25.0-py3-none-any.whl (3.8 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.8/3.8 MB 83.0 MB/s eta 0:00:00 Collecting cfgv>=2.0.0 Downloading cfgv-3.4.0-py2.py3-none-any.whl (7.2 kB) Collecting py>=1.8.2 Downloading py-1.11.0-py2.py3-none-any.whl (98 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 98.7/98.7 KB 19.0 MB/s eta 0:00:00 Collecting attrs>=19.2.0 Downloading attrs-23.1.0-py3-none-any.whl (61 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 61.2/61.2 KB 12.2 MB/s eta 0:00:00 Collecting iniconfig Downloading iniconfig-2.0.0-py3-none-any.whl (5.9 kB) Collecting packaging Downloading packaging-23.2-py3-none-any.whl (53 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 53.0/53.0 KB 10.7 MB/s eta 0:00:00 Collecting pluggy<2.0,>=0.12 Downloading pluggy-1.3.0-py3-none-any.whl (18 kB) Collecting ruamel.yaml.clib>=0.2.7 Downloading ruamel.yaml.clib-0.2.8-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.manylinux_2_24_x86_64.whl (526 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 526.7/526.7 KB 53.4 MB/s eta 0:00:00 Collecting cp2k-input-tools>=0.8.0 Downloading cp2k_input_tools-0.8.2-py3-none-any.whl (1.4 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.4/1.4 MB 85.6 MB/s eta 0:00:00 Collecting scipy>=1.1.0 Downloading scipy-1.11.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (36.4 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 36.4/36.4 MB 40.5 MB/s eta 0:00:00 Collecting matplotlib>=3.1.0 Downloading matplotlib-3.8.2-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 11.6/11.6 MB 80.1 MB/s eta 0:00:00 Collecting regex<2022.0,>=2021.4 Downloading regex-2021.11.10-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (764 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 764.0/764.0 KB 66.2 MB/s eta 0:00:00 Collecting yarl Downloading yarl-1.9.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (300 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 300.7/300.7 KB 29.3 MB/s eta 0:00:00 Collecting aiormq<4,>=3.2.3 Downloading aiormq-3.3.1-py3-none-any.whl (28 kB) Collecting Mako Downloading Mako-1.3.0-py3-none-any.whl (78 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 78.6/78.6 KB 14.5 MB/s eta 0:00:00 Collecting typing-extensions>=4 Downloading typing_extensions-4.8.0-py3-none-any.whl (31 kB) Collecting tornado>=5.0.2 Downloading tornado-6.4-cp38-abi3-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl (435 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 435.4/435.4 KB 56.1 MB/s eta 0:00:00 Collecting pyzmq>=17.0 Downloading pyzmq-25.1.1-cp310-cp310-manylinux_2_28_x86_64.whl (1.1 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.1/1.1 MB 83.4 MB/s eta 0:00:00 Collecting pydantic<2.0.0,>=1.8.2 Downloading pydantic-1.10.13-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (3.1 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.1/3.1 MB 59.1 MB/s eta 0:00:00 Collecting transitions<0.8,>=0.7 Downloading transitions-0.7.2-py2.py3-none-any.whl (55 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 55.6/55.6 KB 9.8 MB/s eta 0:00:00 Collecting pint<0.18,>=0.15 Downloading Pint-0.17-py2.py3-none-any.whl (204 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 205.0/205.0 KB 37.2 MB/s eta 0:00:00 Collecting zipp>=0.5 Downloading zipp-3.17.0-py3-none-any.whl (7.4 kB) Collecting prompt-toolkit<3.1.0,>=3.0.41 Downloading prompt_toolkit-3.0.41-py3-none-any.whl (385 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 385.5/385.5 KB 49.0 MB/s eta 0:00:00 Collecting matplotlib-inline Downloading matplotlib_inline-0.1.6-py3-none-any.whl (9.4 kB) Collecting traitlets>=5 Downloading traitlets-5.14.0-py3-none-any.whl (85 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 85.2/85.2 KB 15.8 MB/s eta 0:00:00 Collecting exceptiongroup Downloading exceptiongroup-1.2.0-py3-none-any.whl (16 kB) Collecting pygments>=2.4.0 Downloading pygments-2.17.2-py3-none-any.whl (1.2 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.2/1.2 MB 52.2 MB/s eta 0:00:00 Collecting decorator Downloading decorator-5.1.1-py3-none-any.whl (9.1 kB) Collecting pexpect>4.3 Downloading pexpect-4.9.0-py2.py3-none-any.whl (63 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 63.8/63.8 KB 12.2 MB/s eta 0:00:00 Collecting stack-data Downloading stack_data-0.6.3-py3-none-any.whl (24 kB) Collecting parso<0.9.0,>=0.8.0 Downloading parso-0.8.3-py2.py3-none-any.whl (100 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 100.8/100.8 KB 18.7 MB/s eta 0:00:00 Collecting MarkupSafe>=2.0 Downloading MarkupSafe-2.1.3-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (25 kB) Collecting pyrsistent>=0.14.0 Downloading pyrsistent-0.20.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (117 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 117.7/117.7 KB 18.8 MB/s eta 0:00:00 Requirement already satisfied: six>=1.11.0 in /usr/lib/python3/dist-packages (from jsonschema~=3.0->aiida-core<3.0.0,>=2.0.0->aiida-cp2k==2.0.0) (1.16.0) Collecting deprecation Downloading deprecation-2.1.0-py2.py3-none-any.whl (11 kB) Collecting pytray<0.4.0,>=0.2.2 Downloading pytray-0.3.4-py2.py3-none-any.whl (11 kB) Collecting shortuuid Downloading shortuuid-1.0.11-py3-none-any.whl (10 kB) Collecting async-generator Downloading async_generator-1.10-py3-none-any.whl (18 kB) Collecting aio-pika~=6.6 Downloading aio_pika-6.8.1-py3-none-any.whl (42 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 42.1/42.1 KB 9.4 MB/s eta 0:00:00 Collecting pamqp~=2.0 Downloading pamqp-2.3.0-py2.py3-none-any.whl (28 kB) Collecting pyparsing>=2.3.1 Downloading pyparsing-3.1.1-py3-none-any.whl (103 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 103.1/103.1 KB 20.8 MB/s eta 0:00:00 Collecting contourpy>=1.0.1 Downloading contourpy-1.2.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (310 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 310.7/310.7 KB 39.3 MB/s eta 0:00:00 Collecting fonttools>=4.22.0 Downloading fonttools-4.45.1-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (4.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.6/4.6 MB 81.5 MB/s eta 0:00:00 Collecting cycler>=0.10 Downloading cycler-0.12.1-py3-none-any.whl (8.3 kB) Collecting pillow>=8 Downloading Pillow-10.1.0-cp310-cp310-manylinux_2_28_x86_64.whl (3.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 3.6/3.6 MB 60.3 MB/s eta 0:00:00 Collecting kiwisolver>=1.3.1 Downloading kiwisolver-1.4.5-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl (1.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 64.8 MB/s eta 0:00:00 Collecting python-dateutil>=2.7 Downloading python_dateutil-2.8.2-py2.py3-none-any.whl (247 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 247.7/247.7 KB 40.0 MB/s eta 0:00:00 Collecting pynacl>=1.0.1 Downloading PyNaCl-1.5.0-cp36-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.manylinux_2_24_x86_64.whl (856 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 856.7/856.7 KB 62.3 MB/s eta 0:00:00 Collecting cryptography>=2.5 Downloading cryptography-41.0.7-cp37-abi3-manylinux_2_28_x86_64.whl (4.4 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.4/4.4 MB 63.8 MB/s eta 0:00:00 Collecting bcrypt>=3.1.3 Downloading bcrypt-4.1.1-cp37-abi3-manylinux_2_28_x86_64.whl (699 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 699.4/699.4 KB 57.8 MB/s eta 0:00:00 Collecting scramp>=1.4.4 Downloading scramp-1.4.4-py3-none-any.whl (13 kB) Collecting nest_asyncio~=1.5 Downloading nest_asyncio-1.5.8-py3-none-any.whl (5.3 kB) Collecting certifi>=2017.4.17 Downloading certifi-2023.11.17-py3-none-any.whl (162 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 162.5/162.5 KB 28.7 MB/s eta 0:00:00 Collecting idna<4,>=2.5 Downloading idna-3.6-py3-none-any.whl (61 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 61.6/61.6 KB 12.1 MB/s eta 0:00:00 Collecting urllib3<3,>=1.21.1 Downloading urllib3-2.1.0-py3-none-any.whl (104 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 104.6/104.6 KB 21.0 MB/s eta 0:00:00 Collecting charset-normalizer<4,>=2 Downloading charset_normalizer-3.3.2-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (142 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 142.1/142.1 KB 25.4 MB/s eta 0:00:00 Collecting greenlet!=0.4.17 Downloading greenlet-3.0.1-cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl (613 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 613.2/613.2 KB 49.4 MB/s eta 0:00:00 Collecting filelock<4,>=3.12.2 Downloading filelock-3.13.1-py3-none-any.whl (11 kB) Collecting platformdirs<5,>=3.9.1 Downloading platformdirs-4.0.0-py3-none-any.whl (17 kB) Collecting distlib<1,>=0.3.7 Downloading distlib-0.3.7-py2.py3-none-any.whl (468 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 468.9/468.9 KB 54.1 MB/s eta 0:00:00 Collecting cffi>=1.12 Downloading cffi-1.16.0-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (443 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 443.9/443.9 KB 50.6 MB/s eta 0:00:00 Collecting ptyprocess>=0.5 Downloading ptyprocess-0.7.0-py2.py3-none-any.whl (13 kB) Collecting wcwidth Downloading wcwidth-0.2.12-py2.py3-none-any.whl (34 kB) Collecting asn1crypto>=1.5.1 Downloading asn1crypto-1.5.1-py2.py3-none-any.whl (105 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 105.0/105.0 KB 21.9 MB/s eta 0:00:00 Collecting asttokens>=2.1.0 Downloading asttokens-2.4.1-py2.py3-none-any.whl (27 kB) Collecting pure-eval Downloading pure_eval-0.2.2-py3-none-any.whl (11 kB) Collecting executing>=1.2.0 Downloading executing-2.0.1-py2.py3-none-any.whl (24 kB) Collecting multidict>=4.0 Downloading multidict-6.0.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (114 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 114.5/114.5 KB 21.5 MB/s eta 0:00:00 Collecting pycparser Downloading pycparser-2.21-py2.py3-none-any.whl (118 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 118.7/118.7 KB 22.7 MB/s eta 0:00:00 Building wheels for collected packages: aiida-cp2k, pgsu Building wheel for aiida-cp2k (pyproject.toml): started Building wheel for aiida-cp2k (pyproject.toml): finished with status 'done' Created wheel for aiida-cp2k: filename=aiida_cp2k-2.0.0-py3-none-any.whl size=26958 sha256=942a9053795be976762bc8532b05877be3d26c27d3c10db91956a8a95bcc8d7e Stored in directory: /root/.cache/pip/wheels/f5/4d/c5/96aec96e5895bbad36e5a2f8f744774ccd9991aebbc95ebb6f Building wheel for pgsu (pyproject.toml): started Building wheel for pgsu (pyproject.toml): finished with status 'done' Created wheel for pgsu: filename=pgsu-0.2.4-py3-none-any.whl size=8903 sha256=386fb6a147f43e21e148ff07dc64bb0d577b174f49447af1776a342218e1211e Stored in directory: /root/.cache/pip/wheels/05/d5/be/0041e03d4ab4bd55f731a084850a4188a8e832ea4536477fbc Successfully built aiida-cp2k pgsu Installing collected packages: wcwidth, upf_to_json, regex, pytz, pure-eval, ptyprocess, pamqp, distlib, click-spinner, asn1crypto, zipp, wrapt, urllib3, typing-extensions, transitions, traitlets, tqdm, tornado, toml, tabulate, shortuuid, scramp, ruamel.yaml.clib, pyzmq, pyyaml, python-dateutil, pyrsistent, pyparsing, pygments, pycparser, py, psycopg2-binary, psutil, prompt-toolkit, pluggy, platformdirs, pillow, pexpect, pathlib2, parso, packaging, numpy, nodeenv, nest_asyncio, multidict, MarkupSafe, lexid, kiwisolver, iniconfig, idna, identify, greenlet, graphviz, fonttools, filelock, executing, exceptiongroup, docstring-parser, decorator, cycler, coverage, click, charset-normalizer, cfgv, certifi, bcrypt, attrs, async-generator, asttokens, archive-path, yarl, virtualenv, stack-data, sqlalchemy, scipy, ruamel.yaml, requests, pytest, pydantic, pint, pgsu, pg8000, matplotlib-inline, Mako, jsonschema, jinja2, jedi, importlib-metadata, deprecation, cp2k-output-tools, contourpy, circus, cffi, bumpver, pytray, pytest-cov, pynacl, pre-commit, pgtest, matplotlib, ipython, disk-objectstore, cryptography, cp2k-input-tools, alembic, aiormq, paramiko, kiwipy, ase, aio-pika, plumpy, aiida-core, aiida-gaussian-datatypes, aiida-cp2k Attempting uninstall: click Found existing installation: click 8.0.3 Not uninstalling click at /usr/lib/python3/dist-packages, outside environment /usr Can't uninstall 'click'. No files were found to uninstall. Successfully installed Mako-1.3.0 MarkupSafe-2.1.3 aiida-core-2.4.2 aiida-cp2k-2.0.0 aiida-gaussian-datatypes-0.5.1 aio-pika-6.8.1 aiormq-3.3.1 alembic-1.13.0 archive-path-0.4.2 ase-3.22.1 asn1crypto-1.5.1 asttokens-2.4.1 async-generator-1.10 attrs-23.1.0 bcrypt-4.1.1 bumpver-2022.1119 certifi-2023.11.17 cffi-1.16.0 cfgv-3.4.0 charset-normalizer-3.3.2 circus-0.18.0 click-8.1.7 click-spinner-0.1.10 contourpy-1.2.0 coverage-7.3.2 cp2k-input-tools-0.8.2 cp2k-output-tools-0.5.0 cryptography-41.0.7 cycler-0.12.1 decorator-5.1.1 deprecation-2.1.0 disk-objectstore-0.6.0 distlib-0.3.7 docstring-parser-0.15 exceptiongroup-1.2.0 executing-2.0.1 filelock-3.13.1 fonttools-4.45.1 graphviz-0.20.1 greenlet-3.0.1 identify-2.5.32 idna-3.6 importlib-metadata-4.13.0 iniconfig-2.0.0 ipython-8.18.1 jedi-0.18.2 jinja2-3.1.2 jsonschema-3.2.0 kiwipy-0.7.8 kiwisolver-1.4.5 lexid-2021.1006 matplotlib-3.8.2 matplotlib-inline-0.1.6 multidict-6.0.4 nest_asyncio-1.5.8 nodeenv-1.8.0 numpy-1.26.2 packaging-23.2 pamqp-2.3.0 paramiko-2.12.0 parso-0.8.3 pathlib2-2.3.7.post1 pexpect-4.9.0 pg8000-1.30.3 pgsu-0.2.4 pgtest-1.3.2 pillow-10.1.0 pint-0.17 platformdirs-4.0.0 pluggy-1.3.0 plumpy-0.21.10 pre-commit-2.21.0 prompt-toolkit-3.0.41 psutil-5.9.6 psycopg2-binary-2.9.9 ptyprocess-0.7.0 pure-eval-0.2.2 py-1.11.0 pycparser-2.21 pydantic-1.10.13 pygments-2.17.2 pynacl-1.5.0 pyparsing-3.1.1 pyrsistent-0.20.0 pytest-6.2.5 pytest-cov-2.11.1 python-dateutil-2.8.2 pytray-0.3.4 pytz-2021.3 pyyaml-6.0.1 pyzmq-25.1.1 regex-2021.11.10 requests-2.31.0 ruamel.yaml-0.18.5 ruamel.yaml.clib-0.2.8 scipy-1.11.4 scramp-1.4.4 shortuuid-1.0.11 sqlalchemy-1.4.50 stack-data-0.6.3 tabulate-0.8.10 toml-0.10.2 tornado-6.4 tqdm-4.66.1 traitlets-5.14.0 transitions-0.7.2 typing-extensions-4.8.0 upf_to_json-0.9.5 urllib3-2.1.0 virtualenv-20.25.0 wcwidth-0.2.12 wrapt-1.16.0 yarl-1.9.3 zipp-3.17.0 WARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv ========== Configuring AiiDA ========== * Starting RabbitMQ Messaging Server rabbitmq-server ...done. * Starting PostgreSQL 14 database server ...done. ========== Running AiiDA-CP2K Tests ========== ============================= test session starts ============================== platform linux -- Python 3.10.12, pytest-6.2.5, py-1.11.0, pluggy-1.3.0 rootdir: /opt/aiida-cp2k, configfile: pyproject.toml plugins: cov-2.11.1 collected 48 items examples/gaussian_datatypes/example_automatic.py . [ 2%] examples/gaussian_datatypes/example_explicit.py . [ 4%] examples/single_calculations/example_bands.py . [ 6%] examples/single_calculations/example_dft.py . [ 8%] examples/single_calculations/example_dft_atomic_kinds.py . [ 10%] examples/single_calculations/example_failure.py . [ 12%] examples/single_calculations/example_geopt.py . [ 14%] examples/single_calculations/example_max_error.py . [ 16%] examples/single_calculations/example_mm.py . [ 18%] examples/single_calculations/example_multiple_force_eval.py . [ 20%] examples/single_calculations/example_no_struct.py . [ 22%] examples/single_calculations/example_precision.py . [ 25%] examples/single_calculations/example_restart.py . [ 27%] examples/single_calculations/example_structure_through_file.py . [ 29%] examples/workchains/example_base_energy_restart.py . [ 31%] examples/workchains/example_base_failed_restart.py . [ 33%] examples/workchains/example_base_geoopt_restart.py . [ 35%] test/test_gaussian_datatypes.py ........ [ 52%] test/test_input_generator.py ......... [ 70%] test/test_parser.py ............. [ 97%] test/test_xyz.py . [100%] =============================== warnings summary =============================== ../../usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59 /usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59: UserWarning: Creating AiiDA configuration folder `/home/ubuntu/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') examples/gaussian_datatypes/example_automatic.py::example_gdt /usr/local/lib/python3.10/dist-packages/aiida/manage/configuration/settings.py:59: UserWarning: Creating AiiDA configuration folder `/tmp/pytest-of-ubuntu/pytest-0/config0/.aiida`. warnings.warn(f'Creating AiiDA configuration folder `{path}`.') ../../usr/local/lib/python3.10/dist-packages/_pytest/cacheprovider.py:428 /usr/local/lib/python3.10/dist-packages/_pytest/cacheprovider.py:428: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/nodeids config.cache.set("cache/nodeids", sorted(self.cached_nodeids)) ../../usr/local/lib/python3.10/dist-packages/_pytest/stepwise.py:49 /usr/local/lib/python3.10/dist-packages/_pytest/stepwise.py:49: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/stepwise session.config.cache.set(STEPWISE_CACHE_DIR, []) -- Docs: https://docs.pytest.org/en/stable/warnings.html ================== 48 passed, 4 warnings in 297.89s (0:04:57) ================== Summary: aiida-cp2k commit b9e3e7e works fine. Status: OK Removing intermediate container b5afb02af78c ---> 51117f98e765 Step 40/41 : CMD cat $(find ./report.log -mmin +10) | sed '/^Summary:/ s/$/ (cached)/' ---> Running in 5da71f4b977e Removing intermediate container 5da71f4b977e ---> 387a9e82940d Step 41/41 : ENTRYPOINT [] ---> Running in 50d59e89b143 Removing intermediate container 50d59e89b143 ---> 80d1832984be [Warning] One or more build-args [GIT_COMMIT_SHA] were not consumed Successfully built 80d1832984be Successfully tagged us-central1-docker.pkg.dev/cp2k-org-project/cp2kci/img_cp2k-aiida:master Pushing new image... done. #################### Running Image cp2k-aiida #################### EndDate: 2023-12-02 07:04:02+00:00