{tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 #16885

sassy-crick · 2022-12-14T12:25:03Z

(created using eb --new-pr)

Requires

…ne-0.24.1-psi4.patch

boegelbot · 2022-12-14T14:23:55Z

@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/3694998411
Output from first failing test suite run:

ERROR: test_conflicts (test.easyconfigs.easyconfigs.EasyConfigTest)
Check whether any conflicts occur in software dependency graphs.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 326, in test_conflicts
    self.assertFalse(check_conflicts(self.ordered_specs, modules_tool(), check_inter_ec_conflicts=False),
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_graph (test.easyconfigs.easyconfigs.EasyConfigTest)
Unit test that builds a full dependency graph.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 313, in test_dep_graph
    dep_graph(fn, self.ordered_specs)
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_versions_per_toolchain_generation (test.easyconfigs.easyconfigs.EasyConfigTest)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 845, in test_dep_versions_per_toolchain_generation
    for ec in self.ordered_specs:
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
FAIL: test_style_conformance (test.easyconfigs.styletests.StyleTest)
Check the easyconfigs for style
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/styletests.py", line 68, in test_style_conformance
    self.assertEqual(result, 0, error_msg)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/base/testing.py", line 116, in assertEqual
    raise AssertionError("%s:\nDIFF%s:\n%s" % (msg, limit, ''.join(diff[:self.ASSERT_MAX_DIFF])))
AssertionError: There shouldn't be any code style errors (and/or warnings), found 1:
/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/easybuild/easyconfigs/q/qcengine/qcengine-0.24.1-foss-2021b.eb:27:24: W299 trailing whitespace

: 1 != 0:
DIFF:
- 1

----------------------------------------------------------------------
Ran 15944 tests in 939.214s

FAILED (failures=1, errors=3)
ERROR: Not all tests were successful

bleep, bloop, I'm just a bot (boegelbot v20200716.01)
Please talk to my owner @boegel if you notice you me acting stupid),
or submit a pull request to https://github.com/boegel/boegelbot fix the problem.

boegelbot · 2022-12-14T15:24:00Z

@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/3695908822
Output from first failing test suite run:

ERROR: test_conflicts (test.easyconfigs.easyconfigs.EasyConfigTest)
Check whether any conflicts occur in software dependency graphs.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 326, in test_conflicts
    self.assertFalse(check_conflicts(self.ordered_specs, modules_tool(), check_inter_ec_conflicts=False),
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_graph (test.easyconfigs.easyconfigs.EasyConfigTest)
Unit test that builds a full dependency graph.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 313, in test_dep_graph
    dep_graph(fn, self.ordered_specs)
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_versions_per_toolchain_generation (test.easyconfigs.easyconfigs.EasyConfigTest)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 845, in test_dep_versions_per_toolchain_generation
    for ec in self.ordered_specs:
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

----------------------------------------------------------------------
Ran 15944 tests in 829.516s

FAILED (errors=3)
ERROR: Not all tests were successful

bleep, bloop, I'm just a bot (boegelbot v20200716.01)
Please talk to my owner @boegel if you notice you me acting stupid),
or submit a pull request to https://github.com/boegel/boegelbot fix the problem.

boegelbot · 2022-12-14T18:24:12Z

@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/3697080226
Output from first failing test suite run:

ERROR: test_conflicts (test.easyconfigs.easyconfigs.EasyConfigTest)
Check whether any conflicts occur in software dependency graphs.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 326, in test_conflicts
    self.assertFalse(check_conflicts(self.ordered_specs, modules_tool(), check_inter_ec_conflicts=False),
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_graph (test.easyconfigs.easyconfigs.EasyConfigTest)
Unit test that builds a full dependency graph.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 313, in test_dep_graph
    dep_graph(fn, self.ordered_specs)
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_versions_per_toolchain_generation (test.easyconfigs.easyconfigs.EasyConfigTest)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 845, in test_dep_versions_per_toolchain_generation
    for ec in self.ordered_specs:
  File "test/easyconfigs/easyconfigs.py", line 278, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "test/easyconfigs/easyconfigs.py", line 216, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 461, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/2.7.18/x64/lib/python2.7/site-packages/easybuild/tools/robot.py", line 324, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
EasyBuildError: 'Missing dependencies: pytest/7.1.3-foss-2021b, pydantic/1.10.2-foss-2021b, Pint/0.19.2-foss-2021b, simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
FAIL: test_pr_python_packages (test.easyconfigs.easyconfigs.EasyConfigTest)
Several checks for easyconfigs that install (bundles of) Python packages.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "test/easyconfigs/easyconfigs.py", line 1069, in test_pr_python_packages
    self.fail('\n'.join(failing_checks))
AssertionError: sanity_pip_check should be enabled in qcengine-0.26.0-foss-2021b.eb

----------------------------------------------------------------------
Ran 15945 tests in 810.702s

FAILED (failures=1, errors=3)
ERROR: Not all tests were successful

bleep, bloop, I'm just a bot (boegelbot v20200716.01)
Please talk to my owner @boegel if you notice you me acting stupid),
or submit a pull request to https://github.com/boegel/boegelbot fix the problem.

…asyconfigs into 20221214122458_new_pr_qcengine0241

boegelbot · 2023-11-11T01:25:49Z

@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/6830785106
Output from first failing test suite run:

ERROR: test_conflicts (test.easyconfigs.easyconfigs.EasyConfigTest)
Check whether any conflicts occur in software dependency graphs.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 331, in test_conflicts
    self.assertFalse(check_conflicts(self.ordered_specs, modules_tool(), check_inter_ec_conflicts=False),
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 283, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 215, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_graph (test.easyconfigs.easyconfigs.EasyConfigTest)
Unit test that builds a full dependency graph.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 318, in test_dep_graph
    dep_graph(fn, self.ordered_specs)
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 283, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 215, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_versions_per_toolchain_generation (test.easyconfigs.easyconfigs.EasyConfigTest)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 868, in test_dep_versions_per_toolchain_generation
    for ec in self.ordered_specs:
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 283, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 215, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

----------------------------------------------------------------------
Ran 18500 tests in 897.847s

FAILED (errors=3)
ERROR: Not all tests were successful

bleep, bloop, I'm just a bot (boegelbot v20200716.01)
Please talk to my owner @boegel if you notice me acting stupid),
or submit a pull request to https://github.com/boegel/boegelbot fix the problem.

…asyconfigs into 20221214122458_new_pr_qcengine0241

boegelbot · 2024-01-26T19:25:52Z

@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/7672132282
Output from first failing test suite run:

ERROR: test_conflicts (test.easyconfigs.easyconfigs.EasyConfigTest)
Check whether any conflicts occur in software dependency graphs.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 330, in test_conflicts
    self.assertFalse(check_conflicts(self.ordered_specs, modules_tool(), check_inter_ec_conflicts=False),
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 282, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 214, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_graph (test.easyconfigs.easyconfigs.EasyConfigTest)
Unit test that builds a full dependency graph.
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 317, in test_dep_graph
    dep_graph(fn, self.ordered_specs)
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 282, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 214, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

======================================================================
ERROR: test_dep_versions_per_toolchain_generation (test.easyconfigs.easyconfigs.EasyConfigTest)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 907, in test_dep_versions_per_toolchain_generation
    for ec in self.ordered_specs:
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 282, in ordered_specs
    EasyConfigTest.resolve_all_dependencies()
  File "/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/test/easyconfigs/easyconfigs.py", line 214, in resolve_all_dependencies
    cls._parsed_easyconfigs, modules_tool(), retain_all_deps=True)
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 463, in resolve_dependencies
    raise_error_missing_deps(totally_missing, extra_msg="no easyconfig file or existing module found")
  File "/opt/hostedtoolcache/Python/3.6.15/x64/lib/python3.6/site-packages/easybuild/tools/robot.py", line 326, in raise_error_missing_deps
    raise EasyBuildError(error_msg)
easybuild.tools.build_log.EasyBuildError: 'Missing dependencies: simple-dftd3/0.7.0-foss-2021b (no easyconfig file or existing module found)'

----------------------------------------------------------------------
Ran 19019 tests in 952.845s

FAILED (errors=3)
ERROR: Not all tests were successful

bleep, bloop, I'm just a bot (boegelbot v20200716.01)
Please talk to my owner @boegel if you notice me acting stupid),
or submit a pull request to https://github.com/boegel/boegelbot fix the problem.

adding easyconfigs: qcengine-0.24.1-foss-2021b.eb and patches: qcengi…

63bf28f

…ne-0.24.1-psi4.patch

This was referenced Dec 14, 2022

{chem}[foss/2021b] PSI4 v1.6.1 w/ Python 3.9.6 #16887

Open

{lib}[foss/2021b] pylibefp v0.6.1 #16883

Open

sanity_pip_check added

f5cbdd7

sassy-crick mentioned this pull request Dec 14, 2022

{chem}[foss/2021b] PSI4 v1.5 w/ Python 3.9.6 #14931

Open

18 tasks

Whitespace removed

27ec5d2

SebastianAchilles added this to the 4.x milestone Dec 14, 2022

SebastianAchilles added the new label Dec 14, 2022

sassy added 2 commits December 14, 2022 16:55

Version 0.26.0 added, required for PSI4-1.7

397b785

Missing PyYaml added

444a0ca

This was referenced Dec 14, 2022

{chem}[foss/2021b] PSI4 v1.7 w/ Python 3.9.6 #16895

Open

{tools}[foss/2021b] optking v0.2.1 w/ Python 3.9.6 #16894

Open

sassy-crick changed the title ~~{tools}[foss/2021b] qcengine v0.24.1 w/ Python 3.9.6~~ {tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 Dec 16, 2022

Jorg Sassmannshausen and others added 2 commits November 10, 2023 23:48

Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…

7bf911d

…asyconfigs into 20221214122458_new_pr_qcengine0241

Missing sanity_pip_check added

a759f59

sassy-crick mentioned this pull request Nov 11, 2023

{lib}[foss/2021b] simple-dftd3 v0.7.0 #17620

Open

3 tasks

Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…

59821c0

…asyconfigs into 20221214122458_new_pr_qcengine0241

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

{tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 #16885

{tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 #16885

sassy-crick commented Dec 14, 2022 •

edited

boegelbot commented Dec 14, 2022

boegelbot commented Dec 14, 2022

boegelbot commented Dec 14, 2022

boegelbot commented Nov 11, 2023

boegelbot commented Jan 26, 2024

{tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 #16885

Are you sure you want to change the base?

{tools}[foss/2021b] qcengine v0.24.1/v0.26.0 w/ Python 3.9.6 #16885

Conversation

sassy-crick commented Dec 14, 2022 • edited

boegelbot commented Dec 14, 2022

boegelbot commented Dec 14, 2022

boegelbot commented Dec 14, 2022

boegelbot commented Nov 11, 2023

boegelbot commented Jan 26, 2024

sassy-crick commented Dec 14, 2022 •

edited