[Debichem-devel] Bug#979983: Bug#979983: qcelemental downloads from the internet during the build

[Michael Banck]

Hi,

On Tue, Jan 12, 2021 at 05:31:51PM +0200, Adrian Bunk wrote:
> matchobj = <re.Match object; span=(0, 11), match='PubChem:223'>
> 
>     def process_pubchem(matchobj):
>         pubsearch = matchobj.group("pubsearch")
>     
>         # search pubchem for the provided string
>         try:
>             results = pubchem.get_pubchem_results(pubsearch)
>         except Exception as e:
> >           raise ValidationError(e.message)
> E           qcelemental.exceptions.ValidationError: Input Error: 	PubchemError
> E           <urlopen error [Errno 111] Connection refused>
> E           	received when trying to open
> E           	https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/223/property/IUPACName,MolecularFormula,Charge/JSON
> E           	Check your internet connection, and the above URL, and try again.
> 
> qcelemental/molparse/from_string.py:309: ValidationError

I noticed, and I mentioned it in
https://github.com/MolSSI/QCElemental/issues/83#issuecomment-757475240
but no reply from upstream so far.


Michael