Migration to Python 3#311
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In the error message from CMake |
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I see, the mpich wrapper contains |
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Ubuntu seems to be fine. The issue is with Fedora MPICH |
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Oh, the fedora docker build was disabled, see espressopp/buildenv#27 |
Hey there, I was trying to compyle the branch with intel compilers and python 3.7 and i got one strange boost error I could not get rid of Add the installation prefix of "boost_python" to CMAKE_PREFIX_PATH or set any clues? |
…ong parameter for the compiler
…ong parameter for the compiler
I think this is because I hardcoded in required boost components python38; I have made a small fix to CMakeList.txt to select properly boost component based on the founded version of Python (hopefully this works). |
It's still failing, even with rebuilt fedora image. I have temporally switched off build of fedora_mpich with clang |
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With codecov step the issue is with the log size on travis. The log contains enormouse number of lines. This results in the error: I do not get why codecov analysis, e.g. |
Codecov Report
@@ Coverage Diff @@
## master #311 +/- ##
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Coverage ? 0.0%
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Files ? 424
Lines ? 27724
Branches ? 3187
========================================
Hits ? 0
Misses ? 27724
Partials ? 0
Continue to review full report at Codecov.
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Any progress with this PR? |
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From my side, go ahead! |
jnvance
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jnvance
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I'm testing on Intel Compiler 19.0.5.281 and Boost 1.74, and everything seems to be fine except for the following test with -O2 and -O3 optimization. This could be just the result of more aggressive optimization from the Intel compiler as it doesn't show up in -O1 and w/o any optimization flag. If we don't need to address this now, then the PR is already fine from my side.
21/66 Test #21: MTSAdResS ..........................***Failed 1.27 sec
..F.
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FAIL: test_AT_CG_templates_FAdResS (__main__.TestMTSAdResS)
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Traceback (most recent call last):
File "/home/vance/espressopp/py3/espressopp/testsuite/AdResS/MTSAdResS/test_MTSAdResS.py", line 242, in test_AT_CG_templates_FAdResS
self.assertAlmostEqual(after[0], 9.364194, places=5)
AssertionError: 9.36420869641006 != 9.364194 within 5 places (1.4696410060466292e-05 difference)
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Ran 4 tests in 0.056s
FAILED (failures=1)
Cubicity check passed -> powered by HeSpaDDA
HeSpaDDA message: Size Lenghts are eq. while ordering axis with preference on X, Y and Z!
Cubicity check passed -> powered by HeSpaDDA
HeSpaDDA message: Size Lenghts are eq. while ordering axis with preference on X, Y and Z!
Cubicity check passed -> powered by HeSpaDDA
HeSpaDDA message: Size Lenghts are eq. while ordering axis with preference on X, Y and Z!
Cubicity check passed -> powered by HeSpaDDA
HeSpaDDA message: Size Lenghts are eq. while ordering axis with preference on X, Y and Z!
govarguz
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govarguz
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I have tested with 2 versions of python3 and it seems to work fine. The only complementary PR, I see that might be required is a bit more of documenting that we reached Py3. As an idea I would suggest to add some compiling/installing requirements for a couple of Dist. perhaps the ones we have in the CI. However, this can be a PR coming up in the next days. @jkrajniak go ahead!
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I have migrated the code base to work with Python 3. I have tested with Python 3.8; Locally all tests passed without issue. I have also run simulation from examples/lennard_jones in both python 2 and 3. The results are identical. Nevertheless, it would be good if someone could do separate tests.
TODO:
I think the best idea would be to move the current
masterto branchpy2and makemasterpython3 only compatible.Fix #227