Hello,
I'm trying to build RDKit on Cygwin, on Windows 7 32-bit (current
GitHub version).
So far, everything looked fine, but some tests failed:
The following tests FAILED:
13 - testUFFForceField (OTHER_FAULT)
66 - testFMCS (SEGFAULT)
79 - pythonTestDbCLI (Failed) - that's not a problem, as the
db is not set up (yet)
I repeated using --output-on-failure, and that's what I got:
testUFFForceField:
Test Assert
Expression Failed:
Violation occurred on line 1400 in file
/home/m212767/RDKit/Code/ForceField/UFF/testUFFForceField.cpp
Failed Expression:
(int)MolTransforms::getDihedralDeg(mol->getConformer(), 1, 3, 6, 8) ==
-10
66/85 Test #66: testFMCS .........................***Exception:
SegFault 0.28 sec
[14:16:12] *******************************************************
[14:16:12] FMCS Unit Test
[14:16:12] -------------------------------------
[14:16:12] FMCS test1Basics()
System reboot and /bin/rebaseall did not help.
Moreover, tests for the cartridge also failed:
$ make && make install && make installcheck
make: Nothing to be done for 'all'.
/usr/bin/mkdir -p '/usr/lib/postgresql'
/usr/bin/mkdir -p '/usr/share/postgresql/extension'
/usr/bin/mkdir -p '/usr/share/postgresql/extension'
/usr/bin/install -c -m 755 rdkit.dll '/usr/lib/postgresql/rdkit.dll'
/usr/bin/install -c -m 644 rdkit.control '/usr/share/postgresql/extension/'
/usr/bin/install -c -m 644 rdkit--3.4.sql '/usr/share/postgresql/extension/'
/usr/lib/postgresql/pgxs/src/makefiles/../../src/test/regress/pg_regress
--inputdir=./ --psqldir='/usr/bin' --dbname=contrib_regression
rdkit-91 props btree molgist bfpgist-91 sfpgist slfpgist fps reaction
(using postmaster on Unix socket, default port)
============== dropping database "contrib_regression" ==============
NOTICE: database "contrib_regression" does not exist, skipping
DROP DATABASE
============== creating database "contrib_regression" ==============
CREATE DATABASE
ALTER DATABASE
============== running regression test queries ==============
test rdkit-91 ... LOG: server process (PID 9076) was
terminated by signal 11: Segmentation fault
DETAIL: Failed process was running: CREATE EXTENSION rdkit;
Has anybody else encountered such problems? Any idea what to do?
Thanks,
Michal
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