From pkgsrc-wip, packaged originally by Peter Ibsen Hansen.
GROMACS is a versatile package to perform molecular dynamics,
i.e. simulate the Newtonian equations of motion for systems with
hundreds to millions of particles.
Changes since previous package:
Chemtool-1.6.12 (June 7, 2009)
This release contains another round of fixes for label positioning
and clipping of bonds around labels. The pen color button has been
replaced by a drop-down menu, and a "white" pen for drawing on
colored backgrounds has been added. Chemtool now automatically
resizes its main window on small (netbook) screens, and it can also
be used in an non-interactive mode to create postscript (etc.) output
from previously created chemtool structure files. The Polish
translation has been updated, and a new Bulgarian translation
has been added.
Chemtool-1.6.11 (August 26, 2007)
This release contains numerous fixes for label positioning and
sub/superscript kerning. Bond length and zoom factor are now
stored with the drawing, bond clipping of multiple bonds was
improved and new special key sequences for circled plus and
minus symbols were added. The configuration dialog now lists
gtklp among the supported print commands. Source layout and
build system were reorganized to make addition of translations
easier, and a Portuguese localization file was added.
Chemtool-1.6.10 (April 8th, 2007)
This release adds PNG export, round brackets, text output in
east-european locales and some new templates. Several bugs
related to special character handling in GTK2, screen display
of labels and exporting to EPS and SVG have been fixed. The
configuration dialog has been redone and now includes support
for kprinter, and the labeling shortcuts no longer interfere
with GTK's menu accelerators.
Changes: This release adds a feature that can automatically choose
food quantities when a meal is to have a particular amount of fat,
protein, or carbohydrate. Currently, you can modify a food quantity
from the meal list by typing the food number and a new quantity.
For example, "2 100g" means change food #2 to 100 grams. This
feature allows the user to type "protein", "carb", or "fat" instead
of an explicit new quantity. For example, "2 carb" indicates that
you want the second food's quantity changed so that the meal's
Daily Value for non-fiber carb is satisfied.
* 14.3
Changes: This release modifies the default polyunsaturated fat
reference values.
* 14.2
Changes: This release revises the default fatty acid reference
values.
* 14.1
Changes: This release updates the Omega-3 defaults.
* 14.0
Changes: This release introduces the new USDA Nutrient Database
SR21, and allows current nut installations to have their existing
meal records reinterpreted with the new database.
Shared directories can now be created independently by the pacakges
needing them and will be removed automatically by pkg_delete when empty.
Packages needing empty directories can use the @pkgdir command in PLIST.
Discussed and ok'd in thread starting at
http://mail-index.netbsd.org/tech-pkg/2009/06/30/msg003546.html
on some platforms that lacked shared library support in the past. The
list hasn't been maintained at all and the gain is very limited, so just
get rid of it.
to trigger/signal a rebuild for the transition 5.8.8 -> 5.10.0.
The list of packages is computed by finding all packages which end
up having either of PERL5_USE_PACKLIST, BUILDLINK_API_DEPENDS.perl,
or PERL5_PACKLIST defined in their make setup (tested via
"make show-vars VARNAMES=...").
patches to add it). Drop pax from the default USE_TOOLS list.
Make bsdtar the default for those places that wanted gtar to extract
long links etc, as bsdtar can be built of the tree.
- assume that Python 2.4 and 2.5 are compatible and allow checking for
fallout.
- remove PYTHON_VERSIONS_COMPATIBLE that are obsoleted by the 2.3+
default. Modify the others to deal with the removals.
Pkgsrc changes:
Add DESTDIR support.
Recent changes (cannot available changes from 10.18 to 12.6 anymore).
13.2:
This release makes minor changes to the analysis reset and food suggestion
functions.
13.1:
This release changes some fatty acid defaults to allow more saturated fat when
eating low-carb, and to raise the maximum amount of long-chain Omega-3.
13.0:
This release introduces the new USDA Nutrient Database SR20 and allows current
NUT installations to have their existing meal records reinterpreted with the new
database.
12.7:
This release uses a new food name abbreviation algorithm so that food names are
more informative and less cryptic.
