Hi,
This is something that has bothered me for quite a while, and so I sat
down today to see if I could learn a little more Python while solving
this problem. As far as I can see our version control system should
contain all the information we need to generate our ChangeLog. It seems
silly to manually replicate this information in both the version control
(commmit messages) and the ChangeLog. Finally, I keep forgetting to fill
in the ChangeLog. Another thing crept into my head too - it can cause
conflicts when several of us are working and the version control system
doesn’t spot how to merge.
Below is an excerpt that I generated today using a combination of git
log and a Python script I just wrote. It looks pretty good to me and
going forward I think it is the way to go. Opinions? It can be generated
over ranges too, which would make a what’s new in 0.9 easier to compile.
It currently lacks the + or - before a file name to signify creation and
deletion of new files. Other than that I think it hits everything we
currently have. Not all commit messages were formatted with this script
in mind though.
Thanks,
Marcus
2008-12-27 Geoff Hutchison babel@geoffhutchison.net
- libavogadro/src/colors/residuecolor.cpp: Fix crash in residue coloring.
(Bad news – residues are not avail. in new framework.) Need to sync
residues
with Molecule.
2008-12-27 Geoffrey Hutchison babel@geoffhutchison.net
- cmake/modules/FindNumpy.cmake: Fix to FindNumpy to fail properly
when Numpy
is not available.
2008-12-27 Simon Ochsenreither <soc@desktop06.(none)>
- libavogadro/src/pluginmanager.cpp: Fixed a typo preventing the
extensions
from being loaded
2008-12-26 Marcus D. Hanwell marcus@cryos.org
-
libavogadro/src/python/pluginmanager.cpp: Added missing includes since I
removed them from the pluginmanager header. -
libavogadro/src/pluginmanager.cpp, libavogadro/src/pluginmanager.h:
Environment variable redux - move from four environment variables to one.
AVOGADRO_PLUGINS can be set to point to Avogadro plugins.
2008-12-24 Marcus D. Hanwell marcus@cryos.org
-
libavogadro/src/extensions/orbitaldialog.ui,
libavogadro/src/extensions/orbitalextension.cpp: Fixed triangle
windings for
negative electron isosurfaces, changed default tab in the dialog. -
libavogadro/src/extensions/CMakeLists.txt,
libavogadro/src/extensions/orbitaldialog.cpp,
libavogadro/src/extensions/orbitalextension.cpp,
libavogadro/src/extensions/orbitalextension.h,
libavogadro/src/extensions/vdwsurface.cpp: Added the ability to
generate VdW
surfaces, and variants thereof. Still needs some work to tidy up the UI. -
libavogadro/src/engines/surfaceengine.cpp,
libavogadro/src/engines/surfaceengine.h: Start of the simplification
in the
surface engine. Need to add back in coloured surfaces, currently draws
surface meshes in the specified colour. -
libavogadro/src/engines/orbitalengine.cpp: Added more safety checks
here. -
libavogadro/src/extensions/orbitaldialog.cpp,
libavogadro/src/extensions/orbitaldialog.h,
libavogadro/src/extensions/orbitaldialog.ui: Added Van der Waals
surface tab
and associated functions. -
libavogadro/src/meshgenerator.cpp, libavogadro/src/meshgenerator.h:
Added
the option to reverse the winding of the generated mesh. This depends upon
what you consider to be inside and outside of your isosurface. -
libavogadro/src/extensions/vdwsurface.cpp,
libavogadro/src/extensions/vdwsurface.h: Added a VdWSurdface class
that uses
QtConcurrent to calculate a VdW cube. It may need further optimisation
with
binning etc. -
libavogadro/src/engine.cpp, libavogadro/src/meshgenerator.cpp: Got
rid of a
few unused variables in function calls.
2008-12-24 Tim Vandermeersch tim.vandermeersch@gmail.com
- libavogadro/src/extensions/CMakeLists.txt,
libavogadro/src/extensions/highlighter.cpp,
libavogadro/src/extensions/highlighter.h,
libavogadro/src/extensions/pythonextension.cpp,
libavogadro/src/extensions/pythonextension.h,
libavogadro/src/extensions/pythonterminal.cpp,
libavogadro/src/extensions/pythonterminal.h: Split python extension into 2
extensions. One handles python extension scripts and the other one provied
the terminal. Also add syntax highlighting to the terminal widget
2008-12-24 Jordan Mantha jordan.mantha@gmail.com
-
libavogadro/src/extensions/gaussianfchk.cpp: fixed missing quotation
-
libavogadro/src/extensions/gaussianfchk.cpp: read in orbital
energies from
gaussian fchk files
–