On 30 May 2012 00:06, Craig James cja...@emolecules.com wrote:
On Tue, May 29, 2012 at 2:42 PM, My Th rei4...@gmail.com wrote:
O , 2012-05-29 14:29 -0700, Craig James rakstīja:
I've confirmed absolutely on Ubuntu: Testing in the build directory
works. Testing with an installed OpenBabel
T , 2012-05-30 09:26 +0100, Noel O'Boyle rakstīja:
On 30 May 2012 00:06, Craig James cja...@emolecules.com wrote:
On Tue, May 29, 2012 at 2:42 PM, My Th rei4...@gmail.com wrote:
O , 2012-05-29 14:29 -0700, Craig James rakstīja:
I've confirmed absolutely on Ubuntu: Testing in the build
On 29/05/2012 17:17, Geoff Hutchison wrote:
Is there some timeline for the release, or just usual coming soon?
I think there needs to be a 2.3.x release really soon. I'm waiting to see
some resolution on Craig/Noel's discussions about stereochem issues.
Could it be possible to move on with
I asked about cmake because newer versions should set env variables correctly
to use the build dir.
Geoff
On May 30, 2012, at 4:41 AM, My Th rei4...@gmail.com wrote:
T , 2012-05-30 09:26 +0100, Noel O'Boyle rakstīja:
On 30 May 2012 00:06, Craig James cja...@emolecules.com wrote:
On Tue, May
T , 2012-05-30 09:41 -0400, Geoff Hutchison rakstīja:
I asked about cmake because newer versions should set env variables correctly
to use the build dir.
Geoff
I'm using cmake 2.8.8, and I have to set paths for make test, otherwise
tautomer test segfaults as I mentioned before. I'm not sure
I've just confirmed what Craig was seeing. I have CMake 2.8.5.
I always install locally but once I added the installed lib directory
to the front of LD_LIBRARY_PATH, all the tests started to segfault.
I'll look into it
- Noel
On 30 May 2012 14:41, Geoff Hutchison ge...@geoffhutchison.net
On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com wrote:
I've just confirmed what Craig was seeing. I have CMake 2.8.5.
I always install locally but once I added the installed lib directory
to the front of LD_LIBRARY_PATH, all the tests started to segfault.
I'll look into
On Tue, May 29, 2012 at 6:04 PM, Geoff Hutchison
ge...@geoffhutchison.netwrote:
I started with a completely clean computer ... it didn't even have a g++
compiler, cmake, or anything else (definitely not OpenBabel). This computer
had never been used before.
Out of curiosity, what version of
On 30 May 2012 16:10, Craig James cja...@emolecules.com wrote:
On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com wrote:
I've just confirmed what Craig was seeing. I have CMake 2.8.5.
I always install locally but once I added the installed lib directory
to the front of
On Wed, May 30, 2012 at 11:10 AM, Craig James cja...@emolecules.com wrote:
On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com wrote:
I've just confirmed what Craig was seeing. I have CMake 2.8.5.
I always install locally but once I added the installed lib directory
to the
T , 2012-05-30 16:38 +0100, Noel O'Boyle rakstīja:
On 30 May 2012 16:10, Craig James cja...@emolecules.com wrote:
On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com wrote:
I've just confirmed what Craig was seeing. I have CMake 2.8.5.
I always install locally but
Hi Tim,
When I reverted the SMILES canonicalizer (that is,
SMIBaseFormat::WriteMolecule()) back so that it doesn't copy the molecule,
I solved the performance problem, but it causes the Tautomer Test to fail.
I've looked through your tautomer code briefly, but before I spend a great
deal of time
Bugs item #3530875, was opened at 2012-05-30 10:41
Message generated for change (Tracker Item Submitted) made by mbanck
You can respond by visiting:
https://sourceforge.net/tracker/?func=detailatid=428740aid=3530875group_id=40728
Please note that this message will contain a full copy of the
T , 2012-05-30 18:51 +0300, My Th rakstīja:
T , 2012-05-30 16:38 +0100, Noel O'Boyle rakstīja:
On 30 May 2012 16:10, Craig James cja...@emolecules.com wrote:
On Wed, May 30, 2012 at 7:59 AM, Noel O'Boyle baoille...@gmail.com
wrote:
I've just confirmed what Craig was seeing. I
Hi,
I was updating the openbabel description for the Debian package and
added a couple of tools we added since last time.
The one I am not quite certain about what it does is obspectrophore - it
seems to have no manpage, the -help output is not very helpful and a
wiki page on
I've got commitments on another project in the next two weeks. Could the
target date for a 2.3.2 release be put back to June 29, with the Git
migration after that?
No problem. I have a few minor OB projects that we'll squeeze in the meantime.
-Geoff
The one I am not quite certain about what it does is obspectrophore - it
seems to have no manpage, the -help output is not very helpful and a
wiki page on http://openbabel.org/wiki/Guides (Command-Line Programs)
does not exist, either.
The wiki is an oversight. Here's the documentation:
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