help internal pyparsing import

[loriab]

Motivation and Context

Even if PYTHONPATH includes pcmsolver, when getkw tries to import pyparsing, it doesn't find it alongside b/c the interior of pcmsolver module isn't in PYTHONPATH. Thus all psi tests fail. Now getkw knows where to find pyparsing.

Here's what the pre-fix error looks like:

(p4dev36) psilocaluser@bash:psinet:/home/psilocaluser/gits/hrw-qcdb/objdir36: ((detached from matt/SYMM_JK)) stage/usr/local/psi4/bin/psi4 ../tests/pcmsolver/scf/input.dat 
Traceback (most recent call last):
  File "stage/usr/local/psi4/bin/psi4", line 238, in <module>
    content = psi4.process_input(content)
  File "/home/psilocaluser/gits/hrw-qcdb/objdir36/stage/usr/local/psi4/lib/psi4/driver/inputparser.py", line 734, in process_input
    temp = re.sub(pcm, process_pcm_command, temp)
  File "/home/psilocaluser/toolchainconda/envs/p4dev36/lib/python3.6/re.py", line 191, in sub
    return _compile(pattern, flags).sub(repl, string, count)
  File "/home/psilocaluser/gits/hrw-qcdb/objdir36/stage/usr/local/psi4/lib/psi4/driver/inputparser.py", line 398, in process_pcm_command
    import pcmsolver
  File "/home/psilocaluser/toolchainconda/envs/p4dev36/lib//python3.6/site-packages/pcmsolver/__init__.py", line 24, in <module>
    from .pcmparser import parse_pcm_input
  File "/home/psilocaluser/toolchainconda/envs/p4dev36/lib//python3.6/site-packages/pcmsolver/pcmparser.py", line 47, in <module>
    from .getkw import Section, GetkwParser
  File "/home/psilocaluser/toolchainconda/envs/p4dev36/lib//python3.6/site-packages/pcmsolver/getkw.py", line 22, in <module>
    from pyparsing import \
ModuleNotFoundError: No module named 'pyparsing'

How Has This Been Tested?

All the pcm tests in psi4 work when pcmsolver module itself is in PYTHONPATH after these changes.

Types of changes

• [x] Bug fix (non-breaking change which fixes an issue)
• [ ] New feature (non-breaking change which adds functionality)
• [ ] Breaking change (fix or feature that would cause existing functionality to change)

Questions

• [ ] Does the getkw2 file need change, too?

Status

• [x] Ready to go

[MinazoBot]

	1 Error
:no_entry_sign:	Code style violations detected.

	2 Warnings
:warning:	There are code changes, but no corresponding tests. Please include tests if this PR introduces any modifications in behavior.
:warning:	Please update CHANGELOG.md with a description of your changes. If this PR is not a user-facing change (e.g. just refactoring), you can disregard this.

Code Style Check

---

Code style violations detected in the following files:

• tools/py3.x-getkw.py

Execute one of the following actions and commit again:

1. Run yapf on the offending files
2. Apply the suggested patches with git apply patch.

tools/py3.x-getkw.py

--- tools/py3.x-getkw.py
+++ tools/py3.x-getkw.py
@@ -649,7 +649,7 @@
                     pass
                 elif len(arg) != k.nargs:
                     print("Invalid number of elements for key '%s',\
-line: %d" % (name, lineno(self.loc, self.strg)))
+line: %d"          % (name, lineno(self.loc, self.strg)))
                     print("  -> %d required, %d given." % (k.nargs, len(arg)))
                     if strict:
                         sys.exit(1)

Here's an example of a CHANGELOG.md entry:

* [#160](https://github.com/PCMSolver/pcmsolver/pull/160): help internal pyparsing import - [@loriab](https://github.com/loriab)

Generated by :no_entry_sign: Danger

[codecov[bot]]

Codecov Report

Merging #160 into master will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##           master     #160   +/-   ##
=======================================
  Coverage   70.01%   70.01%           
=======================================
  Files          92       92           
  Lines        5592     5592           
=======================================
  Hits         3915     3915           
  Misses       1677     1677

---

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