Comments (4)
I suppose that'll be the pubchem tests. Should be easy enough.
from qcelemental.
whoa, do you ever sleep?? I've made the Debian such that it ignores test failures for now but sure would be nice to be able to run tests cleanly.
from qcelemental.
New testing decorator of:
import socket
def internet_connection():
try:
socket.create_connection(("www.google.com", 80))
return True
except OSError:
return False
using_web = pytest.mark.skipif(internet_connection() is False, reason="Could not connect to the internet")
@loriab Can you grab this? Currently my dev env is in a fragile state trying to propagate the Array changes.
from qcelemental.
sorry, I never tested that back then; I've now checked that the pytests pass fine on my notebook (once I install certifi
), but on the Debian autobuilders (which disable networking) they still fail:
E.g.:
> raise URLError(err)
E urllib.error.URLError: <urlopen error [Errno 111] Connection refused>
/usr/lib/python3.9/urllib/request.py:1345: URLError
Is this expected, or have there been some regressions since a4ebcca got committed?
from qcelemental.
Related Issues (20)
- Unsuccessful atom mapping attempts HOT 4
- Add a citation file? HOT 3
- Tests don't find py3Dmol HOT 4
- Accesing qc.models.Molecule.show() HOT 7
- Setup qcel.models.Molecule with non-contiguous fragments HOT 5
- Make basis set optional in WavefunctionProperties
- Molecule declares extras dictionary as Dict[str, Any] but value can be None
- PubChem test fails HOT 1
- BaseSettings has moved to a new package pydantic-settings HOT 5
- qcelemental does not build with Python 3.12 HOT 3
- Include extras in get_hash function of Molecule
- Floating point number allowed for molecular charge but not molecular multiplicity HOT 1
- Links to changelogs in releases don't work HOT 2
- PSA: Pydantic v1/v2 and the QCArchive + Psi4 stack HOT 2
- Floating-point precision error in calculating angles HOT 1
- Molecule representation should include charge and multiplicity HOT 1
- Class inheritance diagram not rendering
- Inconsistent dependency versions for pint and numpy HOT 1
- Change Default Behavior of "fix_com" and "fix_orientation" HOT 6
- PSA: pubchem loose (name_type=word) searches failing HOT 1
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from qcelemental.