Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Geoff Hutchison
> 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 g++ and cmake are you using? Perhaps there's an optimization or linking bug?

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Craig James
On Tue, May 29, 2012 at 2:42 PM, My Th 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 system doesn't. > > > > I started with a completely clean computer ... it didn'

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread My Th
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 system doesn't. > > I started with a completely clean computer ... it didn't even have a g > ++ compiler, cmake, or anything else (d

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Craig James
On Tue, May 29, 2012 at 11:42 AM, My Th wrote: > > I don't know why my results are different than the build platform, but > > I'm virtually certain that the test failures are not due to an error > > or misconfiguration on my part. > > I made a fresh checkout just now and it works for me on Gentoo

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Craig James
I've confirmed absolutely on Ubuntu: Testing in the build directory works. Testing with an installed OpenBabel system doesn't. 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 be

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread My Th
O , 2012-05-29 13:48 -0700, Craig James rakstīja: > On Tue, May 29, 2012 at 11:42 AM, My Th wrote: > > I don't know why my results are different than the build > platform, but > > I'm virtually certain that the test failures are not due to > an error > > or

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread My Th
O , 2012-05-29 10:39 -0700, Craig James rakstīja: > On Tue, May 29, 2012 at 9:52 AM, My Th wrote: > O , 2012-05-29 09:24 -0700, Craig James rakstīja: > > On Mon, May 28, 2012 at 3:08 AM, Noel O'Boyle > wrote: > > > > > > Now I've checked the tautomer tests,

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Craig James
On Tue, May 29, 2012 at 9:52 AM, My Th wrote: > O , 2012-05-29 09:24 -0700, Craig James rakstīja: > > On Mon, May 28, 2012 at 3:08 AM, Noel O'Boyle > wrote: > > > > > > Now I've checked the tautomer tests, and it also fails with the > "stock" > > > > r4758, i.e. before I changed smilesformat.cpp

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread My Th
O , 2012-05-29 09:24 -0700, Craig James rakstīja: > On Mon, May 28, 2012 at 3:08 AM, Noel O'Boyle wrote: > > > > Now I've checked the tautomer tests, and it also fails with the "stock" > > > r4758, i.e. before I changed smilesformat.cpp. > > > > > >$ bin/test_tautomer > > > > > >/home/cja

Re: [OpenBabel-Devel] Failing tests for r4763 and r4766

2012-05-29 Thread Craig James
On Mon, May 28, 2012 at 3:08 AM, Noel O'Boyle wrote: > > Now I've checked the tautomer tests, and it also fails with the "stock" > > r4758, i.e. before I changed smilesformat.cpp. > > > >$ bin/test_tautomer > > > >/home/cjames/openbabel-2.3.x-r4758/source/test/tautomertest.cpp:76: > > can

Re: [OpenBabel-Devel] Git migration?

2012-05-29 Thread Geoff Hutchison
> 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 the switch if it is not happening > within

[OpenBabel-Devel] [ openbabel-Feature Requests-3530553 ] Error and suggestions for command-line options

2012-05-29 Thread SourceForge . net
Feature Requests item #3530553, was opened at 2012-05-29 08:01 Message generated for change (Tracker Item Submitted) made by ghutchis You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428743&aid=3530553&group_id=40728 Please note that this message will contain a full