StartDate: 2021-03-06 19:02:31+00:00 CpuId: 16x Intel Xeon W 2000 / Scalable Bronze 3000 / Silver 4000 / Gold 5000 / 6000 / Platinum 8000 (Skylake), 14nm CommitSHA: 48a9b3d75196fc51a439791a272e037b7eddaff1 CommitTime: 2021-03-06 18:15:00 +0100 CommitAuthor: Matthias Krack CommitSubject: Match file and project name Trying to pull image cp2k-toolchain-mpich... success :-) Trying to pull image cp2k-aiida... success :-) #################### Running Image cp2k-aiida #################### ========== Fetching Git Commit ========== CommitSHA: 48a9b3d75196fc51a439791a272e037b7eddaff1 CommitTime: 2021-03-06 18:15:00 +0100 CommitAuthor: Matthias Krack CommitSubject: Match file and project name ========== Running Test ========== ========== Compiling CP2K ========== Compiling cp2k... done. ========== Installing AiiDA-CP2K plugin ========== Already up to date. Processing /opt/aiida-cp2k Requirement already satisfied: aiida-core<2.0.0,>=1.1.0 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (1.5.2) Requirement already satisfied: ase in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (3.21.1) Requirement already satisfied: ruamel.yaml>=0.16.5 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.16.13) Requirement already satisfied: aiida-gaussian-datatypes in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (0.3.4) Requirement already satisfied: coverage in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (5.5) Requirement already satisfied: pgtest==1.2.0 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (1.2.0) Requirement already satisfied: pytest-cov<3.0.0,>=2.6.1 in /usr/local/lib/python3.8/dist-packages (from aiida-cp2k==1.3.0) (2.11.1) Requirement already satisfied: pytest<5.0.0,>=4.4 in /usr/local/lib/python3.8/dist-packages (from 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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: simplejson~=3.16 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (3.17.2) Requirement already satisfied: 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: tornado<5.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (4.5.3) Requirement already satisfied: graphviz~=0.13 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.16) Requirement already satisfied: sqlalchemy>=1.3.10,~=1.3 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.3.23) Requirement already satisfied: reentry~=1.3 in /usr/local/lib/python3.8/dist-packages (from 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/usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.5.6) 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: 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: 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: topika~=0.2.2 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.2) Requirement already satisfied: psycopg2-binary>=2.8.3,~=2.8 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (2.8.6) Requirement already satisfied: 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: tabulate~=0.8.5 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.8.9) Requirement already satisfied: ipython~=7.0 in /usr/local/lib/python3.8/dist-packages (from aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (7.21.0) Requirement already satisfied: scipy>=0.18.1 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (1.6.1) Requirement already satisfied: matplotlib>=2.0.0 in /usr/local/lib/python3.8/dist-packages (from ase->aiida-cp2k==1.3.0) (3.3.4) Requirement already satisfied: ruamel.yaml.clib>=0.1.2; platform_python_implementation == "CPython" and python_version < "3.10" in /usr/local/lib/python3.8/dist-packages (from ruamel.yaml>=0.16.5->aiida-cp2k==1.3.0) (0.2.2) Requirement already satisfied: voluptuous>=0.11.7 in /usr/local/lib/python3.8/dist-packages (from aiida-gaussian-datatypes->aiida-cp2k==1.3.0) (0.12.1) Requirement already satisfied: pg8000>=1.10 in /usr/local/lib/python3.8/dist-packages (from pgtest==1.2.0->aiida-cp2k==1.3.0) (1.17.0) Requirement already satisfied: attrs>=17.4.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (20.3.0) Requirement already satisfied: atomicwrites>=1.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (1.4.0) Requirement already satisfied: pluggy<1.0,>=0.12 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (0.13.1) Requirement already satisfied: packaging in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (20.9) Requirement already satisfied: six>=1.10.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (1.15.0) Requirement already satisfied: wcwidth in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (0.2.5) Requirement already satisfied: more-itertools>=4.0.0; python_version > "2.7" in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (8.7.0) Requirement already satisfied: py>=1.5.0 in /usr/local/lib/python3.8/dist-packages (from pytest<5.0.0,>=4.4->aiida-cp2k==1.3.0) (1.10.0) Requirement already satisfied: shortuuid in /usr/local/lib/python3.8/dist-packages (from kiwipy[rmq]~=0.5.5->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.0.1) Requirement already satisfied: pyzmq>=17.0 in /usr/local/lib/python3.8/dist-packages (from circus~=0.16.1->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (22.0.3) Requirement already satisfied: frozendict in /usr/local/lib/python3.8/dist-packages (from plumpy~=0.15.1->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.2) 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) (1.1.1) Requirement already satisfied: sqlparse>=0.2.2 in /usr/local/lib/python3.8/dist-packages (from 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furl->topika~=0.2.2->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (1.0.1) Requirement already satisfied: ipython-genutils in /usr/local/lib/python3.8/dist-packages (from traitlets>=4.2->ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.2.0) Requirement already satisfied: ptyprocess>=0.5 in /usr/local/lib/python3.8/dist-packages (from pexpect>4.3; sys_platform != "win32"->ipython~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (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~=7.0->aiida-core<2.0.0,>=1.1.0->aiida-cp2k==1.3.0) (0.8.1) Requirement already satisfied: pycparser in /usr/local/lib/python3.8/dist-packages (from cffi>=1.12->cryptography>=2.5->paramiko~=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 (setup.py): started Building wheel for aiida-cp2k (setup.py): finished with status 'done' Created wheel for aiida-cp2k: filename=aiida_cp2k-1.3.0-py3-none-any.whl size=25113 sha256=81966de823a8dad8ab9295d1b1202cd7aee00f75bcc84f6fa9dea3bde76c4282 Stored in directory: /root/.cache/pip/wheels/54/13/ab/54b2d3871b02524c3d05f223bad3c8ff45da85d09642ac792e Successfully built aiida-cp2k Installing collected packages: aiida-cp2k Successfully installed aiida-cp2k-1.3.0 ========== Configuring AiiDA ========== * Starting RabbitMQ Messaging Server rabbitmq-server ...done. * Starting PostgreSQL 12 database server ...done. ========== Running AiiDA-CP2K Tests ========== ============================= test session starts ============================== platform linux -- Python 3.8.5, pytest-4.6.11, py-1.10.0, pluggy-0.13.1 rootdir: /opt/aiida-cp2k, inifile: pytest.ini plugins: cov-2.11.1 collected 33 items examples/gaussian_datatypes/example_automatic.py . [ 3%] examples/gaussian_datatypes/example_explicit.py . [ 6%] examples/single_calculations/example_dft.py . [ 9%] examples/single_calculations/example_dft_atomic_kinds.py . [ 12%] examples/single_calculations/example_failure.py . [ 15%] 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 . [ 30%] examples/single_calculations/example_restart.py . [ 33%] examples/single_calculations/example_structure_through_file.py . [ 36%] examples/workchains/example_base_failed_restart.py . [ 39%] examples/workchains/example_base_restart.py . [ 42%] test/test_gaussian_datatypes.py ...... [ 60%] test/test_input_generator.py ......... [ 87%] test/test_parser.py .. [ 93%] test/test_version_agreement.py . [ 96%] test/test_xyz.py . [100%] =============================== warnings summary =============================== /usr/local/lib/python3.8/dist-packages/sqlalchemy_utils/observer.py:176 /usr/local/lib/python3.8/dist-packages/sqlalchemy_utils/observer.py:176: DeprecationWarning: Using or importing the ABCs from 'collections' instead of from 'collections.abc' is deprecated since Python 3.3, and in 3.9 it will stop working from collections import defaultdict, Iterable, namedtuple /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127 /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/stepwise self.warn("could not create cache path {path}", path=path) /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127 /usr/local/lib/python3.8/dist-packages/_pytest/cacheprovider.py:127: PytestCacheWarning: could not create cache path /opt/aiida-cp2k/.pytest_cache/v/cache/nodeids self.warn("could not create cache path {path}", path=path) -- Docs: https://docs.pytest.org/en/latest/warnings.html =================== 33 passed, 3 warnings in 297.12 seconds ==================== Summary: aiida-cp2k commit 61d4927 works fine. Status: OK EndDate: 2021-03-06 19:17:46+00:00