On 14/12/15 22:07, Geoffrey Hutchison wrote:
> Dear everyone,
>
> The 2.4 release was long-delayed, in part due to other (job-related)
> obligations, but I’d like to get a push and some planning.
>
> I’m proposing the following schedule for the 2.4 release:
>
> - 31 January 2016 - Create 2.4 “release branch” (i.e., only critical
> bug-fixes, documentation, etc. will be merged)
> - 15 February 2016 - Target Date
>
> That gives us several weeks to incorporate any remaining changes, e.g.:
> - New EEM charge model from J. Cheminf. (patch submitted, pending revision)
> - New Distance Geometry coordinate creation (partially incorporated - needs
> stereochemistry fixes)
>
> Please let me know if there are particular patches, features, and/or bugs to
> target.
>
We will prepare a patch to gaff.prm and friends to get more reliable
atom type assignments.
> My goal is that we can begin to target a ~6 month schedule to release new
> major versions (2.5, 2.6, 2.7, etc.)
>
> Thoughts? Suggestions?
Any plans to run all the code through clang --analyze? For instance:
% clang -I../include -I../../openbabel/include --analyze
../../openbabel/src/mol.cpp
../../openbabel/src/mol.cpp:4257:32: warning: Called C++ object pointer
is null
bestbond->SetBondOrder(bestbond->GetBondOrder()-1);
^~~~~~~~~~~~~~~~~~~~~~~~
1 warning generated.
I'd be happy to help, however in some cases it may require someone with
more in-depth knowledge to fix the issues.
> -Geoff
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--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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