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

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

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@sassy-crick sassy-crick commented Dec 14, 2022 •
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(created using eb --new-pr)

Requires:

adding easyconfigs: PSI4-1.6.1-foss-2021b.eb and patches: psi4-python…
69c1d14 
…path.patch, PSI4-1.6.1_fix_cmake_release.patch
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@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/3694882269
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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (no easyconfig file or existing module found)'

----------------------------------------------------------------------
Ran 15944 tests in 968.617s

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

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Please talk to my owner @boegel if you notice you me acting stupid),
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@sassy-crick sassy-crick mentioned this pull request Dec 14, 2022
Closed
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@SebastianAchilles SebastianAchilles added this to the 4.x milestone Dec 14, 2022
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@sassy-crick: Tests failed in GitHub Actions, see https://github.com/easybuilders/easybuild-easyconfigs/actions/runs/3715250080
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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b-qcengine-0.24.1, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b-qcengine-0.24.1, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (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, py-cpuinfo/8.0.0-foss-2021b, qcengine/0.24.1-foss-2021b, libefp/1.5.0-foss-2021b-psi4, cppe/0.3.1-foss-2021b, pylibefp/0.6.1-foss-2021b-qcengine-0.24.1, dkh/1.2-foss-2021b-psi4, Libint2/5-4-3-6-5-4_mm4f12ob2-foss-2021b-lmax-5-psi4, libecpint/1.0.7-foss-2021b-psi4, gau2grid/2.0.7-foss-2021b-lmax-5-psi4, ambit/733c529-foss-2021b-psi4, gdma/2.2.6-foss-2021b, simint/0.7-foss-2021b-lmax-5-vec-avx-psi4 (no easyconfig file or existing module found)'

----------------------------------------------------------------------
Ran 15973 tests in 739.532s

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.

@sassy-crick
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Closed as it is is the foss-2021b toolchain version

@sassy-crick sassy-crick deleted the 20221214124051_new_pr_PSI4161 branch January 17, 2025 14:46
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@sassy-crick @boegelbot @SebastianAchilles