The test fails on OSX >= 10.10 (Xcode7, clang) in line 1856:
CHECK(Option::USE_FINE_PENALTY).
Attempts to track the problem down pointed out that for the structure used in this subtest
(AssignBondOrderProcessor_test_AMPTRB10_kek_sol0.mol2),
USE_FINE_PENALTY=true yields the same results on all systems, however,
setting USE_FINE_PENALTY=false yields different results on Linux and OSX.
I attached a small TOOL snippet that can be used to reproduce the problem:
BOA_test.C.zip
The molecule file is located in <BALL_root>/source/TEST/data/
The test fails on OSX >= 10.10 (Xcode7, clang) in line 1856:
CHECK(Option::USE_FINE_PENALTY).
Attempts to track the problem down pointed out that for the structure used in this subtest
(AssignBondOrderProcessor_test_AMPTRB10_kek_sol0.mol2),
USE_FINE_PENALTY=true yields the same results on all systems, however,
setting USE_FINE_PENALTY=false yields different results on Linux and OSX.
I attached a small TOOL snippet that can be used to reproduce the problem:
BOA_test.C.zip
The molecule file is located in <BALL_root>/source/TEST/data/