Source: qcelemental Version: 0.17.0+dfsg-2 Severity: serious Tags: ftbfs https://buildd.debian.org/status/fetch.php?pkg=qcelemental&arch=all&ver=0.17.0%2Bdfsg-2&stamp=1610282048&raw=0
... debian/rules override_dh_auto_test make[1]: Entering directory '/<<PKGBUILDDIR>>' dh_auto_test I: pybuild base:232: cd /<<PKGBUILDDIR>>/.pybuild/cpython3_3.9/build; python3.9 -m pytest ============================= test session starts ============================== platform linux -- Python 3.9.1, pytest-6.0.2, py-1.10.0, pluggy-0.13.0 rootdir: /<<PKGBUILDDIR>> plugins: cov-2.10.1 collected 998 items qcelemental/molutil/test_molutil.py s..sss..sss.ss...s.................. [ 3%] . [ 3%] qcelemental/tests/test_constants.py .................................... [ 7%] ....x.... [ 8%] qcelemental/tests/test_covalentradii.py ......................... [ 10%] qcelemental/tests/test_datum.py ............. [ 12%] qcelemental/tests/test_importing.py .......................... [ 14%] qcelemental/tests/test_info.py ........................................ [ 18%] qcelemental/tests/test_model_general.py ........ [ 19%] qcelemental/tests/test_model_results.py ................................ [ 22%] ..... [ 23%] qcelemental/tests/test_molecule.py .............s....s........s......... [ 26%] .......s........... [ 28%] qcelemental/tests/test_molparse_align_chiral.py ssssssssss [ 29%] qcelemental/tests/test_molparse_from_schema.py ............ [ 30%] qcelemental/tests/test_molparse_from_string.py ......................... [ 33%] ........................................................................ [ 40%] .... [ 41%] qcelemental/tests/test_molparse_parse_nucleus_label.py ............. [ 42%] qcelemental/tests/test_molparse_pubchem.py FFF...FFF [ 43%] qcelemental/tests/test_molparse_reconcile_nucleus.py ................... [ 45%] ................................ [ 48%] qcelemental/tests/test_molparse_to_schema.py .............. [ 49%] qcelemental/tests/test_molparse_to_string.py ........................... [ 52%] .... [ 52%] qcelemental/tests/test_molparse_validate_and_fill_chgmult.py ........... [ 54%] ........................................................ [ 59%] qcelemental/tests/test_periodictable.py ................................ [ 62%] ........................................................................ [ 70%] ............x [ 71%] qcelemental/tests/test_testing.py ...................................... [ 75%] ...................... [ 77%] qcelemental/tests/test_units.py ........................................ [ 81%] ........................................................................ [ 88%] ........... [ 89%] qcelemental/tests/test_utils.py ........................................ [ 93%] ..................sssssssssssssss [ 96%] qcelemental/tests/test_vanderwaalsradii.py ........................ [ 99%] qcelemental/util/test_gph_uno_bipartite.py ssss [ 99%] qcelemental/util/test_scipy_hungarian.py .. [100%] =================================== FAILURES =================================== ... _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ matchobj = <re.Match object; span=(0, 11), match='PubChem:223'> def process_pubchem(matchobj): pubsearch = matchobj.group("pubsearch") # search pubchem for the provided string try: results = pubchem.get_pubchem_results(pubsearch) except Exception as e: > raise ValidationError(e.message) E qcelemental.exceptions.ValidationError: Input Error: PubchemError E <urlopen error [Errno 111] Connection refused> E received when trying to open E https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/223/property/IUPACName,MolecularFormula,Charge/JSON E Check your internet connection, and the above URL, and try again. qcelemental/molparse/from_string.py:309: ValidationError ----------------------------- Captured stdout call ----------------------------- Searching PubChem database for CID 223 =============================== warnings summary =============================== .pybuild/cpython3_3.9/build/qcelemental/tests/test_molparse_from_string.py: 10 warnings /usr/lib/python3/dist-packages/numpy/core/_asarray.py:83: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray return array(a, dtype, copy=False, order=order) -- Docs: https://docs.pytest.org/en/stable/warnings.html =========================== short test summary info ============================ FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_4a - qcelemental.exceptions.ValidationError: Input Error: PubchemError FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_4b - qcelemental.exceptions.ValidationError: Input Error: PubchemError FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_4c - qcelemental.exceptions.ValidationError: Input Error: PubchemError FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_multiout_g - qcelemental.exceptions.ValidationError: Input Error: PubchemError FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_13h - qcelemental.exceptions.ValidationError: Input Error: PubchemError FAILED qcelemental/tests/test_molparse_pubchem.py::test_pubchem_13i - qcelemental.exceptions.ValidationError: Input Error: PubchemError ====== 6 failed, 947 passed, 43 skipped, 2 xfailed, 10 warnings in 9.49s ======= E: pybuild pybuild:353: test: plugin distutils failed with: exit code=1: cd /<<PKGBUILDDIR>>/.pybuild/cpython3_3.9/build; python3.9 -m pytest dh_auto_test: error: pybuild --test --test-pytest -i python{version} -p 3.9 returned exit code 13 make[1]: *** [debian/rules:9: override_dh_auto_test] Error 25