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

[Ask Hjorth Larsen]

Hi

2016-11-29 15:50 GMT+01:00 Toma Susi via gpaw-users
<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
>
>         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/>
>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> gpaw-developers mailing list
>>>>> gpaw-developers at listserv.fysik.dtu.dk
>>>>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-developers
>>>>
>>>>
>>>
>>
>
>
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