Dear all
I recently installed Psi4 from source on my laptop and went with python 3.5 because CMake found it first.
When running the test full test suit, some of the tests fail:
The following tests FAILED:
269 - psimrcc-ccsd_t-2 (Failed)
345 - psi4numpy-cphf (Failed)
347 - psi4numpy-rhf (Failed)
349 - python-energy (Failed)
350 - python-curve (Failed)
351 - python-pubchem (Failed)
352 - python-mints9 (Failed)
353 - python-mints2 (Failed)
354 - python-cc54 (Failed)
355 - json-energy (Failed)
356 - json-gradient (Failed)
Errors while running CTest
The first test seems to be a known problem, but the others seem to occur because CTest somehow calls python2. Here is an example output from LastTest.log
Start testing: Jul 05 17:26 CEST
349/356 Testing: python-energy
349/356 Test: python-energy
Command: “/usr/bin/python3.5” “/home/rolf/psi4/tests/runtest.py” “/home/rolf/psi4/tests/python/energy/input.dat” “/home/rolf/psi4/objdir/testresults.log” “false” “/home/rolf/psi4” “false” “/home/rolf/psi4/objdir/tests/python/python-energy/output.dat” “/home/rolf/psi4/objdir/stage/usr/local/psi4/bin/psi4” “/home/rolf/psi4/objdir/stage/usr/local/psi4/share/psi4” “/home/rolf/psi4/objdir/stage/usr/local/psi4/lib/”
Directory: /home/rolf/psi4/objdir/tests/python/python-energy
“python-energy” start time: Jul 05 17:26 CEST
Output:
Traceback (most recent call last):
File “/home/rolf/psi4/tests/python/energy/input.py”, line 1, in
import psi4
File “/home/rolf/psi4/objdir/stage/usr/local/psi4/lib/psi4/init.py”, line 60, in
raise ImportError("{0}".format(err))
ImportError: /home/rolf/psi4/objdir/stage/usr/local/psi4/lib/psi4/core.so: undefined symbol: _Py_FalseStruct
Exit Status: infile ( 1 ); autotest ( None ); sowreap ( None ); overall ( 1 )
Test time = 0.05 sec
Test Failed.
“python-energy” end time: Jul 05 17:26 CEST
“python-energy” time elapsed: 00:00:00
I’m using Ubuntu 17.04 and the native python 3.5. As far as I can tell from the command, it points to the correct interpreter.
This error did not occur when compiling with python 2.
best
Rolf