If you're going to run "make test", you may have to set up the environment a bit as it uses the files from the build directory (rather than from "make install"). Try setting BABEL_DATADIR to ob-source-dir/data. You may also need to set BABEL_FORMATDIR (to build-dir/lib) or LD_LIBRARY_PATH (to build-dir/lib).
On BSD, I've found that the forcefield tests fail when run through "make test" but run fine from the command-line, so there's some Cmake magic messing things up there somehow. (FYI, our test dashboard is at http://my.cdash.org/index.php?project=Open+Babel) - Noel On 2 August 2011 15:22, Vedrin Jeliazkov <vedrin.jeliaz...@gmail.com> wrote: > Hi Noel, > > We've upgraded successfully both our development and production system > to use the latest svn trunk (rev. 4534) version of obabel. PNG > depiction of SMILES works fine on both systems and is much faster than > with the older obabel versions that we've tried -- that's great! > > We've also noticed that some of the tests that are executed by 'make > test' are failing. Some of these failures are specific to the > development server (Linux 2.6.26-2-amd64, gcc 4.3.2: > inchiSamples.sdf_Test, logp_psa_Test), others to the production server > (FreeBSD 8.2-STABLE, amd64, gcc 4.2.2: charge-gasteiger_Test), while > the remaining failures are exhibited on both servers (builder_Test, > charge-mmff94_Test, ffgaff_Test, ffghemical_Test, ffuff_Test). The > cmake options we've used in both cases are: > > -DCMAKE_INSTALL_PREFIX=/usr/local/openbabel -DPYTHON_BINDINGS=OFF > -DBUILD_GUI=OFF > > Kind regards, > Vedrin > > PS: I'm attaching a list of these make test failures in case that you > would like to have a closer look at them: > > 1) Development server > > ambit:/home/vedrin/obabel/svn/openbabel/build# make test > Running tests... > Start processing tests > Test project /home/vedrin/obabel/svn/openbabel/build > 1/ 57 Testing automorphism_Test Passed > 2/ 57 Testing builder_Test ***Failed Error regular > expression found in output. Regex=[FAIL] > 3/ 57 Testing canonconsistent_Test Passed > 4/ 57 Testing canonstable_Test Passed > 5/ 57 Testing cistrans_Test Passed > 6/ 57 Testing graphsym_Test Passed > 7/ 57 Testing implicitH_Test Passed > 8/ 57 Testing lssr_Test Passed > 9/ 57 Testing isomorphism_Test Passed > 10/ 57 Testing rotor_Test Passed > 11/ 57 Testing shuffle_Test Passed > 12/ 57 Testing smiles_Test Passed > 13/ 57 Testing spectrophore_Test Passed > 14/ 57 Testing squareplanar_Test Passed > 15/ 57 Testing stereo_Test Passed > 16/ 57 Testing stereoperception_Test Passed > 17/ 57 Testing tetrahedral_Test Passed > 18/ 57 Testing tetranonplanar_Test Passed > 19/ 57 Testing tetraplanar_Test Passed > 20/ 57 Testing uniqueid_Test Passed > 21/ 57 Testing inchiSamples.sdf_Test ***Failed > 22/ 57 Testing inchiSamplesTechMan.sdf_Test Passed > 23/ 57 Testing inchiSteffen_PubChem.smi_Test Passed > 24/ 57 Testing aromatest_Test Passed > 25/ 57 Testing atom_Test Passed > 26/ 57 Testing bond_Test Passed > 27/ 57 Testing cansmi_Test Passed > 28/ 57 Testing charge-mmff94_Test ***Failed > 29/ 57 Testing charge-gasteiger_Test Passed > 30/ 57 Testing conversion_Test Passed > 31/ 57 Testing datatest_Test Passed > 32/ 57 Testing ffgaff_Test ***Failed > 33/ 57 Testing ffghemical_Test ***Failed > 34/ 57 Testing ffmmff94_Test Passed > 35/ 57 Testing ffuff_Test ***Failed > 36/ 57 Testing formalcharge_Test Passed > 37/ 57 Testing format_Test Passed > 38/ 57 Testing formula_Test Passed > 39/ 57 Testing internalcoord_Test Passed > 40/ 57 Testing invalidsmarts_Test Passed > 41/ 57 Testing invalidsmiles_Test Passed > 42/ 57 Testing iterators_Test Passed > 43/ 57 Testing logp_psa_Test ***Failed Error regular > expression found in output. Regex=[not ok] > 44/ 57 Testing math_Test Passed > 45/ 57 Testing mol_Test Passed > 46/ 57 Testing phmodel_Test Passed > 47/ 57 Testing residue_Test Passed > 48/ 57 Testing ringtest_Test Passed > 49/ 57 Testing smartstest_Test Passed > 50/ 57 Testing smartsparse_Test Passed > 51/ 57 Testing smilesmatch_Test Passed > 52/ 57 Testing unitcell_Test Passed > 53/ 57 Testing pytest_babel Passed > 54/ 57 Testing pytest_sym Passed > 55/ 57 Testing pytest_fastsearch Passed > 56/ 57 Testing pytest_unique Passed > 57/ 57 Testing pytest_kekule Passed > > 88% tests passed, 7 tests failed out of 57 > > The following tests FAILED: > 2 - builder_Test (Failed) > 21 - inchiSamples.sdf_Test (Failed) > 28 - charge-mmff94_Test (Failed) > 32 - ffgaff_Test (Failed) > 33 - ffghemical_Test (Failed) > 35 - ffuff_Test (Failed) > 43 - logp_psa_Test (Failed) > Errors while running CTest > make: *** [test] Error 8 > > 2) Production server > > root@eos /home/vedrin/obabel/svn/openbabel/build # make test > Running tests... > Test project /home/vedrin/obabel/svn/openbabel/build > Start 30: conversion_Test > 1/57 Test #30: conversion_Test .................. Passed 0.00 sec > Start 31: datatest_Test > 2/57 Test #31: datatest_Test .................... Passed 0.00 sec > Start 32: ffgaff_Test > 3/57 Test #32: ffgaff_Test ......................***Failed 0.00 sec > Start 33: ffghemical_Test > 4/57 Test #33: ffghemical_Test ..................***Failed 0.00 sec > Start 34: ffmmff94_Test > 5/57 Test #34: ffmmff94_Test .................... Passed 1.00 sec > Start 35: ffuff_Test > 6/57 Test #35: ffuff_Test .......................***Failed 0.00 sec > Start 36: formalcharge_Test > 7/57 Test #36: formalcharge_Test ................ Passed 0.00 sec > Start 37: format_Test > 8/57 Test #37: format_Test ...................... Passed 1.00 sec > Start 38: formula_Test > 9/57 Test #38: formula_Test ..................... Passed 0.00 sec > Start 39: internalcoord_Test > 10/57 Test #39: internalcoord_Test ............... Passed 0.00 sec > Start 40: invalidsmarts_Test > 11/57 Test #40: invalidsmarts_Test ............... Passed 0.00 sec > Start 41: invalidsmiles_Test > 12/57 Test #41: invalidsmiles_Test ............... Passed 0.00 sec > Start 42: iterators_Test > 13/57 Test #42: iterators_Test ................... Passed 1.00 sec > Start 43: logp_psa_Test > 14/57 Test #43: logp_psa_Test .................... Passed 0.00 sec > Start 44: math_Test > 15/57 Test #44: math_Test ........................ Passed 0.00 sec > Start 45: mol_Test > 16/57 Test #45: mol_Test ......................... Passed 1.00 sec > Start 46: phmodel_Test > 17/57 Test #46: phmodel_Test ..................... Passed 0.00 sec > Start 47: residue_Test > 18/57 Test #47: residue_Test ..................... Passed 0.00 sec > Start 48: ringtest_Test > 19/57 Test #48: ringtest_Test .................... Passed 1.00 sec > Start 49: smartstest_Test > 20/57 Test #49: smartstest_Test .................. Passed 0.00 sec > Start 50: smartsparse_Test > 21/57 Test #50: smartsparse_Test ................. Passed 0.00 sec > Start 51: smilesmatch_Test > 22/57 Test #51: smilesmatch_Test ................. Passed 2.00 sec > Start 52: unitcell_Test > 23/57 Test #52: unitcell_Test .................... Passed 0.00 sec > Start 53: pytest_babel > 24/57 Test #53: pytest_babel ..................... Passed 0.00 sec > Start 54: pytest_sym > 25/57 Test #54: pytest_sym ....................... Passed 38.00 sec > Start 55: pytest_fastsearch > 26/57 Test #55: pytest_fastsearch ................ Passed 1.00 sec > Start 56: pytest_unique > 27/57 Test #56: pytest_unique .................... Passed 3.00 sec > Start 57: pytest_kekule > 28/57 Test #57: pytest_kekule .................... Passed 7.00 sec > Start 1: automorphism_Test > 29/57 Test #1: automorphism_Test ................ Passed 0.00 sec > Start 2: builder_Test > 30/57 Test #2: builder_Test .....................***Exception: > SegFault 0.00 sec > Start 3: canonconsistent_Test > 31/57 Test #3: canonconsistent_Test ............. Passed 1.00 sec > Start 4: canonstable_Test > 32/57 Test #4: canonstable_Test ................. Passed 23.00 sec > Start 5: cistrans_Test > 33/57 Test #5: cistrans_Test .................... Passed 0.00 sec > Start 6: graphsym_Test > 34/57 Test #6: graphsym_Test .................... Passed 1.00 sec > Start 7: implicitH_Test > 35/57 Test #7: implicitH_Test ................... Passed 0.00 sec > Start 8: lssr_Test > 36/57 Test #8: lssr_Test ........................ Passed 7.00 sec > Start 9: isomorphism_Test > 37/57 Test #9: isomorphism_Test ................. Passed 0.00 sec > Start 10: rotor_Test > 38/57 Test #10: rotor_Test ....................... Passed 1.00 sec > Start 11: shuffle_Test > 39/57 Test #11: shuffle_Test ..................... Passed 4.00 sec > Start 12: smiles_Test > 40/57 Test #12: smiles_Test ...................... Passed 0.00 sec > Start 13: spectrophore_Test > 41/57 Test #13: spectrophore_Test ................ Passed 1.00 sec > Start 14: squareplanar_Test > 42/57 Test #14: squareplanar_Test ................ Passed 0.00 sec > Start 15: stereo_Test > 43/57 Test #15: stereo_Test ...................... Passed 0.00 sec > Start 16: stereoperception_Test > 44/57 Test #16: stereoperception_Test ............ Passed 1.00 sec > Start 17: tetrahedral_Test > 45/57 Test #17: tetrahedral_Test ................. Passed 0.00 sec > Start 18: tetranonplanar_Test > 46/57 Test #18: tetranonplanar_Test .............. Passed 0.00 sec > Start 19: tetraplanar_Test > 47/57 Test #19: tetraplanar_Test ................. Passed 0.00 sec > Start 20: uniqueid_Test > 48/57 Test #20: uniqueid_Test .................... Passed 0.00 sec > Start 21: inchiSamples.sdf_Test > 49/57 Test #21: inchiSamples.sdf_Test ............ Passed 0.00 sec > Start 22: inchiSamplesTechMan.sdf_Test > 50/57 Test #22: inchiSamplesTechMan.sdf_Test ..... Passed 1.00 sec > Start 23: inchiSteffen_PubChem.smi_Test > 51/57 Test #23: inchiSteffen_PubChem.smi_Test .... Passed 0.00 sec > Start 24: aromatest_Test > 52/57 Test #24: aromatest_Test ................... Passed 0.00 sec > Start 25: atom_Test > 53/57 Test #25: atom_Test ........................ Passed 0.00 sec > Start 26: bond_Test > 54/57 Test #26: bond_Test ........................ Passed 0.00 sec > Start 27: cansmi_Test > 55/57 Test #27: cansmi_Test ...................... Passed 2.00 sec > Start 28: charge-mmff94_Test > 56/57 Test #28: charge-mmff94_Test ...............***Failed 1.00 sec > Start 29: charge-gasteiger_Test > 57/57 Test #29: charge-gasteiger_Test ............***Failed 0.00 sec > > 89% tests passed, 6 tests failed out of 57 > > Total Test time (real) = 100.00 sec > > The following tests FAILED: > 32 - ffgaff_Test (Failed) > 33 - ffghemical_Test (Failed) > 35 - ffuff_Test (Failed) > 2 - builder_Test (SEGFAULT) > 28 - charge-mmff94_Test (Failed) > 29 - charge-gasteiger_Test (Failed) > Errors while running CTest > *** Error code 8 > > Stop in /usr/home/vedrin/obabel/svn/openbabel/build. > ------------------------------------------------------------------------------ BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA The must-attend event for mobile developers. Connect with experts. Get tools for creating Super Apps. See the latest technologies. Sessions, hands-on labs, demos & much more. 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