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Dear BSE developers,
we find when importing the BSE Python API v0.9 or v0.9.1 as a module in Py-ChemShell by
from .src.build.lib import basis_set_exchange
the Python3 interpreter (v3.8.10) reports a few errors of
SyntaxError: invalid escape sequence \s
in src/basis_set_exchange/ints.py
due to the multiple docstrings containing content
\sum_ which should be \\sum_
\sum_
\\sum_
and similar issues of escapes \s and \d are found in the lines
\s
\d
# Start for new basis entry basis_head_re = re.compile(r'^/([a-zA-Z]+).({}|)....(aCD|acCD)-aux-basis.\s*$'.format(helpers.basis_name_re_str)) # Elemental charge, lmax, number of basis set blocks charge_line_re = re.compile(r'^\s*({})\s+(\d+)\s+(\d+)\s*$'.format(helpers.floating_re_str)) dummy_line_re = re.compile(r'^\s*Dummy reference line.\s*$') # nprim, ncontr, functype shell_start_re = re.compile('^\s*(\d+)\s+(\d+)\s+(\d+)\s*$') # Floating point data array_data_re = re.compile(r'^\s*(?:\s({}))+\s*$'.format(helpers.floating_re_str))
of src/basis_set_exchange/readers/ricdlib.py
We appreciate if you could have this fixed.
Happy Christmas!
You
The text was updated successfully, but these errors were encountered:
Hello
I can't reproduce on any python version for whatever reason, but these are indeed issues. I've opened a PR to fix them (#297)
Sorry, something went wrong.
Hello I can't reproduce on any python version for whatever reason, but these are indeed issues. I've opened a PR to fix them (#297)
Much appreciated!
No branches or pull requests
Dear BSE developers,
we find when importing the BSE Python API v0.9 or v0.9.1 as a module in Py-ChemShell by
from .src.build.lib import basis_set_exchange
the Python3 interpreter (v3.8.10) reports a few errors of
in src/basis_set_exchange/ints.py
due to the multiple docstrings containing content
\sum_
which should be\\sum_
and similar issues of escapes
\s
and\d
are found in the linesof src/basis_set_exchange/readers/ricdlib.py
We appreciate if you could have this fixed.
Happy Christmas!
You
The text was updated successfully, but these errors were encountered: