[gpaw-users] [gpaw-developers] Updating the GPAW wiki for Ehrenfest dynamics

[Toma Susi]

Hi,

Finally coming back to the Ehrenferst documentation, but noticed that the SSL certificate error is back, and the old solution no longer works. However, this solution worked for me (using Pyenv for Python version control), and thought I'd share it to the list:
https://stackoverflow.com/questions/44649449/brew-installation-of-python-3-6-1-ssl-certificate-verify-failed-certificate <https://stackoverflow.com/questions/44649449/brew-installation-of-python-3-6-1-ssl-certificate-verify-failed-certificate>

Cheers,
Toma

> On 29.11.2016, at 23:01, Ask Hjorth Larsen <asklarsen at gmail.com> wrote:
> 
> Hi
> 
> 2016-11-29 15:50 GMT+01:00 Toma Susi via gpaw-users
> <gpaw-users at listserv.fysik.dtu.dk <mailto:gpaw-users at listserv.fysik.dtu.dk>>:
>> Yeah I tried, but there seemed to be many opinions on where the problem lies...
>> 
>> However, although I already found this thread yesterday, apparently someone just posted 10 hours ago with a solution that works for me:
>> https://stackoverflow.com/questions/27835619/ssl-certificate-verify-failed-error/40857561#40857561 <https://stackoverflow.com/questions/27835619/ssl-certificate-verify-failed-error/40857561#40857561>
>> 
>>        export PYTHONHTTPSVERIFY=0
>> 
>> Incidentally, this also fixes the "gpaw install-data" error I was having earlier!
>> 
>> -Toma
> 
> Strange, I guess there should not really be a problem with https.  It
> would be nice to figure out what the problem is.
> 
> The legacy vdw kernel is still distributed as pckl, so I should not
> neglect to mention that getting the setups via http and then using the
> old vdw implementation (this includes running the test suite) could
> allow a nefarious if improbable man-in-the-middle attack, unless we
> hardcode the checksums (actually we should probably do that in any
> case, for multiple reasons).
> 
> Best regards
> Ask
> 
>> 
>> 
>>> On 29 Nov 2016, at 14:44, Jens Jørgen Mortensen <jensj at fysik.dtu.dk> wrote:
>>> 
>>> 
>>> 
>>> On 11/28/2016 04:48 PM, Toma Susi wrote:
>>>> Hi,
>>>> 
>>>> Very sorry about the delay, I finally got around to doing this. However, I immediately run into an urllib2.py issue reminiscent of what I encountered with "gpaw --install-data" (https://listserv.fysik.dtu.dk/pipermail/gpaw-users/2016-June/004128.html):
>>>> 
>>>> tomasusi at imacsusi:*~/gpaw/doc*$ make
>>>> sphinx-build -b html -d build/doctrees  -n . build/html
>>>> *Running Sphinx v1.4.4*
>>>> making output directory...
>>>> 
>>>> *Exception occurred:*
>>>> File "/usr/local/Cellar/python/2.7.12/Frameworks/Python.framework/Versions/2.7/lib/python2.7/urllib2.py", line 1198, in do_open
>>>> raise URLError(err)
>>>> URLError: <urlopen error [SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed (_ssl.c:590)>
>>>> *The full traceback has been saved in /var/folders/8n/_v135h7x4dl2wfy0q4r_f7kh0000gn/T/sphinx-err-igwYlL.log, if you want to report the issue to the developers.*
>>>> Please also report this if it was a user error, so that a better error message can be provided next time.
>>>> A bug report can be filed in the tracker at <https://github.com/sphinx-doc/sphinx/issues>. Thanks!
>>>> documentation/askhl_10302_report.pdf make: *** [html] Error 1
>>>> 
>>>> I don't believe we found any solution for this yet?
>>> 
>>> Do we have any macos people here?  Did you try to google it?
>>> 
>>> Jens Jørgen
>>> 
>>>> 
>>>> Incidentally, we have also implemented an STS (scanning tunneling spectroscopy, dI/dV) function to the stm.py module, which we could commit and document, but I'm afraid I don't have the time to start debugging these issues myself...
>>>> 
>>>> Best,
>>>> Toma
>>>> 
>>>> 
>>>>> On 10 Jun 2016, at 10:00, Jens Jørgen Mortensen <jensj at fysik.dtu.dk <mailto:jensj at fysik.dtu.dk>> wrote:
>>>>> 
>>>>> Den 07-06-2016 kl. 13:22 skrev Toma Susi:
>>>>>> Dear developers,
>>>>>> 
>>>>>> As you probably remember, Ari Ojanperä (formerly at Aalto, these days at QuantumWise) implemented TDDFT Ehrenfest dynamics into GPAW. I recently got interested in trying out some things, and Ari kindly shared his almost complete documentation and script examples with me.
>>>>>> 
>>>>>> The code seems to run quite well, and I was thinking I could update the GPAW Wiki (https://wiki.fysik.dtu.dk/gpaw/devel/projects/ehrenfest.html) with the information. What is the procedure for contributing, do I gain edit access somehow or just submit the page in some format?
>>>>> 
>>>>> That would be great.  Thank you for doing this!  You can read all about how to do it on the ASE web-page (it works the same way for GPAW):
>>>>> 
>>>>> https://wiki.fysik.dtu.dk/ase/development/contribute.html
>>>>> https://wiki.fysik.dtu.dk/ase/development/writing_documentation_ase.html
>>>>> 
>>>>> Just ask if you need any help.
>>>>> 
>>>>> Jens Jørgen
>>>>> 
>>>>>> 
>>>>>> Cheers,
>>>>>> Toma
>>>>>> 
>>>>>> ------------------------------------------------------------------------
>>>>>> Dr. Toma Susi
>>>>>> Principal investigator
>>>>>> FWF Project HeQuCoG
>>>>>> University of Vienna, Austria
>>>>>> http://mostlyphysics.net <http://mostlyphysics.net/>
>>>>>> 
>>>>>> 
>>>>>> 
>>>>>> _______________________________________________
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>>>>>> gpaw-developers at listserv.fysik.dtu.dk
>>>>>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-developers
>>>>> 
>>>>> 
>>>> 
>>> 
>> 
>> 
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