help the reimport problem - #184
robertodr merged 2 commits into
Conversation
Sorry, something went wrong.
|
CI error is unrelated, I think: File "/home/travis/.local/lib/python3.5/site-packages/virtualenv/__init__.py", line 3, in <module>
from .run import cli_run, session_via_cli
File "/home/travis/.local/lib/python3.5/site-packages/virtualenv/run/__init__.py", line 12, in <module>
from .plugin.activators import ActivationSelector
File "/home/travis/.local/lib/python3.5/site-packages/virtualenv/run/plugin/activators.py", line 6, in <module>
from .base import ComponentBuilder
File "/home/travis/.local/lib/python3.5/site-packages/virtualenv/run/plugin/base.py", line 9, in <module>
from importlib_metadata import entry_points
File "/home/travis/.local/lib/python3.5/site-packages/importlib_metadata/__init__.py", line 43, in <module>
class PackageNotFoundError(ModuleNotFoundError):
NameError: name 'ModuleNotFoundError' is not defined
In local testing back on v1.2.1, I also get the following warnings, which you may well have already addressed in the meantime. /home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:798
/home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:798
/home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:798: DeprecationWarning: Using or importing the ABCs from 'collections' instead of from 'collections.abc' is deprecated since Python 3.3, and in 3.9 it will stop working
collections.MutableMapping.register(ParseResults)
/home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:2389
/home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:2389
/home/psilocaluser/toolchainconda/envs/py38/lib//python3.8/site-packages/pcmsolver/pyparsing.py:2389: DeprecationWarning: Using or importing the ABCs from 'collections' instead of from 'collections.abc' is deprecated since Python 3.3, and in 3.9 it will stop working
elif isinstance(exprs, collections.Sequence):
|
Sorry, something went wrong.
|
CI is in a sorry state. The changes look good, I'll switch to GitHub actions to get meaningful feedback from CI again. The warnings look familiar: I have accumulated patches here and there, but never merged them :'( |
Sorry, something went wrong.
np, I have limping Travis-CI repos, too. I'm thinking pb11 is a good model for all arch + compiled + GHA CI, if it isn't already on your radar. |
Sorry, something went wrong.
|
I have this template: https://github.com/MRChemSoft/mrchem/blob/master/.github/workflows/build-test.yml |
Sorry, something went wrong.
robertodr
left a comment
There was a problem hiding this comment.
Thanks!
Sorry, something went wrong.
Codecov Report
@@ Coverage Diff @@
## master #184 +/- ##
=======================================
Coverage 74.09% 74.09%
=======================================
Files 243 243
Lines 17144 17144
=======================================
Hits 12703 12703
Misses 4441 4441 Continue to review full report at Codecov.
|
Sorry, something went wrong.
|
I need to synchronize some changes in the Fortran interface before making a new release. |
Sorry, something went wrong.
Co-authored-by: Roberto Di Remigio <robertodr@users.noreply.github.com>
Description
Motivation and Context
If you run the parse file function twice with the same import pcmsolver, it gives a keyword already defined error with getkw. This causes trouble with psiapi and even worse with running a multiple pcm job with qcschema b/c the pcm input gets reparsed. @robertodr worked on this some. I may have opined that reload is never the answer. Nonetheless, the proposed changes do help. Has this already been tried and found troublesome?
How Has This Been Tested?
Screenshots (if appropriate):
Todos
Types of changes
Questions
Status