Hurray! Good job guys!
czw., 24 paź 2019, 21:39 użytkownik Noel O'Boyle
napisał:
> And a big thanks to Geoff for pulling it all together. Hip hip
> ___
> OpenBabel-Devel mailing list
> OpenBabel-Devel@lists.sourceforge.net
>
Hi all,
Unfortunately I'm on holiday for the next two weeks, and away from any
laptop, so I can't help. After September 20th I'm all in for the new
release, if you need help then.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
pt., 6 wrz 2019 o 20:35 Geoffrey
Hi,
Seconded, although I'm not the target recipient. Just my 2c - it could be
better to have dev version which is lesser than stable 2.4.2 (2.4.2dev >
2.4.2).
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2017-10-06 22:24 GMT+02:00 Noel O'Boyle <b
is not recognized and built?
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2017-06-09 15:24 GMT+02:00 Maciek Wójcikowski <mac...@wojcikowski.pl>:
> Apparently my last name killed conda build... https://ci.appveyor.
> com/project/mwojcikowski/conda-openbabel/
Apparently my last name killed conda build...
https://ci.appveyor.com/project/mwojcikowski/conda-openbabel/build/1.0.23/job/hvv95j1fagio4ike
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2017-06-09 15:19 GMT+02:00 Maciek Wójcikowski <mac...@wojcikowski.pl>:
I'm on it as we speak.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2017-06-09 15:09 GMT+02:00 Noel O'Boyle <baoille...@gmail.com>:
> Thanks for the super quick response. I do appreciate it.
>
> There is a std::isnan via _isnan build problem whi
Hi,
I think, that if you tagged it then the source = git tag and there is no
way to change it. The only option is another tag I'm afraid.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2016-10-11 10:42 GMT+02:00 Michael Banck <mba...@debian.org>:
> Hi
&
Yes, I forgot the windows part... Then the derivative would be to regex in
python the output of "subprocess.check_output(['obabel', '-:c1c1',
'-onul'], stderr=subprocess.STDOUT)". This should work cross platform.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojc
Hi Geoff,
We can check "obabel -:c1c1 -omol2 >/dev/null" == "1 molecule
converted", or to be more specific the following should be empty:
obabel -:c1c1 -omol2 2>&1 >/dev/null | grep "Cannot open *.txt
defaulting to compiled data."
Pozdrawia
I've already tried that (
https://github.com/mwojcikowski/openbabel/commit/704250e925d765387257d5ee790d24f53803b7c2)
although it didn't help :( If you have better solution that would be
awesome, since I've ran out of options...
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac
it's just changing the version in URL, since
current git master compiles.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2016-07-05 20:42 GMT+02:00 Geoffrey Hutchison <geoff.hutchi...@gmail.com>:
> > That is fine with me. The beauty of having openb
Babel Warning in OpenBabel::OBGlobalDataBase::Init
> Cannot open types.txt defaulting to compiled data.
> ==
> *** Open Babel Warning in OpenBabel::OBGlobalDataBase::Init
> Cannot open phmodel.txt defaulting to compiled data.
Pozdra
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2016-07-03 23:07 GMT+02:00 Björn Grüning <bjoern.gruen...@gmail.com>:
> Hi Maciek,
>
> Am 03.07.2016 um 21:42 schrieb Maciek Wójcikowski:
> > Hi,
> >
> > The Conda build for wind
BTW, the link to repo and appveyor:
https://github.com/mwojcikowski/openbabel-packages
https://ci.appveyor.com/project/mwojcikowski/openbabel-packages
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2016-07-03 21:42 GMT+02:00 Maciek Wójcikowski <mac...@wojcikowski
Hi,
Thanks again for compiling such list. One minor note - it may be good idea
to sort the contributors by their last names instead of first.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2016-06-11 14:50 GMT+02:00 Noel O'Boyle <baoille...@gmail.com>:
in
development. Does anybody use them? I've seen them mentioned on the list
once. They also lack some kind of automated testing, and tutorial for
"BaPHPel".
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2015-12-14 22:07 GMT+01:00 Geoffrey Hutchison <ge
s lack support for multi-line
properties... Must fix that one...
----
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2015-12-08 2:41 GMT+01:00 Stefano Forli <fo...@scripps.edu>:
> I had miss that in the source code, but if I get this right, writing extra
>
I noticed that "local" OBPairData are explicitly ignored, which may be the
reason they are not written for you:
https://github.com/openbabel/openbabel/pull/112/files#diff-d6e9941b72192e2ba1a2d244948450aeR535
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
, and moving towards Boost.python? I think that SWIG extensions are
desirable.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2015-04-27 12:20 GMT+02:00 Ryushiro Sugehara n.sakis...@gmail.com:
Hi all,
I've created an experimental fork to show a new codebase of openbabel
the API/ABI versions and introduce
quarterly code freezes with all the bugfixes and major enhancements, f.e.
the next release could be named 2.4_2014Q1 and so on.
What do you think about such release strategy?
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.plhttps
as far as
I know) http://blog.bolner.hu/2012/08/22/simplex/. Maybe other are
available, but I'm not a C coder.
What do you think about that idea?
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.plhttps://mail.google.com/mail/u/0/?view=cmfs=1tf=1to=mac...@wojcikowski.pl
()'
collect2: ld returned 1 exit status
cmake 2.9.10.2, Python 2.7, swig 2.0.8, eigen 2+3 rest is stock.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2012/11/22 David van der Spoel sp...@xray.bmc.uu.se
On 2012-11-22 10:33, Noel O'Boyle wrote:
I've a problem
Hello,
Will release of 2.3.2 be connected with GIT migration?
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2012/10/1 Geoffrey Hutchison geo...@pitt.edu
I've merged in basically everything in trunk to the 2.3 branch. There are
some depiction fixes and the ASCII
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