./biology/gnome-chemistry-utils, GChemPaint, a 2D chemical editor and other programs

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Branch: CURRENT, Version: 0.14.16nb3, Package name: gnome-chemistry-utils-0.14.16nb3, Maintainer: pkgsrc-users

GChemPaint, a 2D chemical editor and some other programs related to chemistry
suitable for the GNOME desktop.

The Gnome Chemistry Utils include three utilities:
- a 2D chemical editor (GChemPaint).
- a chemical calculator (computes raw formule, molar weight, mass composition,
etc..) and isotopic pattern).
- a molecule 3d viewer using OpenGL to display molecular models.
- a crystal structues viewer and editor.
- a periodic table of the elements.
- a spectrum viewer.

These programs are based on an included C++ library which provides a few
widgets and various classes, some related to chemistry and some utility
classes.


Required to run:
[sysutils/desktop-file-utils] [graphics/gtkglext] [databases/gnome-mime-data] [databases/shared-mime-info] [x11/gtk3] [biology/openbabel] [biology/chemical-mime-data] [biology/bodr] [misc/goffice0.10]

Required to build:
[textproc/gnome-doc-utils] [pkgtools/x11-links] [math/eigen2] [x11/xcb-proto] [x11/fixesproto4] [pkgtools/cwrappers] [x11/xorgproto]

Master sites:

SHA1: 3ae7d3dfb1a5c9cd119c84a789e6571f44b62da7
RMD160: c4cedcc6aa1cdeae071b3a9a25d3c235f12eb6e7
Filesize: 6544.037 KB

Version history: (Expand)


CVS history: (Expand)


   2020-09-25 05:56:49 by David H. Gutteridge | Files touched by this commit (1)
Log message:
gnome-chemistry-utils: fix builds

This requires scrollkeeper tools (as provided by textproc/rarian) in
order to build. It should also depend on graphics/hicolor-icon-theme.
   2020-08-31 20:13:29 by Thomas Klausner | Files touched by this commit (3631) | Package updated
Log message:
*: bump PKGREVISION for perl-5.32.
   2020-08-17 22:20:41 by Leonardo Taccari | Files touched by this commit (2202)
Log message:
*: revbump after fontconfig bl3 changes (libuuid removal)
   2020-06-29 15:04:48 by Ryo ONODERA | Files touched by this commit (8) | Package updated
Log message:
gnome-chemistry-utils: Update to 0.14.16

Changelog:
Version 0.14.16:
	GChemPaint:
		* Do not show buttons for non yet implemented tools.

Version 0.14.15:
	GCCV library:
		* Don't use the abs() function on unsigned numbers.
	Other:
		* Updated appdata files.

Version 0.14.14:
	Mozilla plugin:
	* Fix build.

Version 0.14.13:
	GChemPaint:
		* Optional use of Lasem to display maths.
		* Fix rendering with gtk+ >= 3.20.
		* Fix crash with atom charges larger than 1.
		* Fix crash when deleting a bond outside a molecule. [#48256]
	Gnumeric plugin:
		* Add monoisotopicmass function in gnumeric and more.
	Databases:
		* Update names for elements 113, 115, 117 and 118.

Version 0.14.12:
	GChemPaint:
		* Enhanced Chemdraw formats support. [sr #108952]
		* Optional use of Lasem to display maths.
		* Fix rendering with gtk+ >= 3.20.
	GChemCalc:
		* Don't crash on "Ac" string. [#47366]

Version 0.14.11:
	GChemPaint:
		* Fix an infinite loop condition in retrosyntheses alignment.
		* Don't crash when importing an invalid string. [Redhat bug #1285154]
		* Fix drawing when zoomed.
		* Fix various runtime errors.
		* Fix crash when creating a reaction with no product.
		* Enhanced Chemdraw formats support.
		* Fix embedding of a whole molecule inside brackets. [#47224]
	GChemTable:
		* Don't crash when showing an already existing chart.
		[Redhat bug #1302135]
	GCrystal:
		* Fix build with gcc-6. [Redhat bug #1307546]
	GCrystal and GChem3D:
		* Don't crash when rendering to memory (images and print). [#47169]
	Other:
		* Added keywords to desktop files.
		* Updated appdata files.

Version 0.14.10:
	GChemPaint:
		* Fix an object bounds issue.
	Mozilla plugin:
		* Supports the npapi-sdk package as requirement.
	Other:
		* Fixed typos in appdata files.

Version 0.14.9:
	GChemPaint:
		* Ensure that the document size is always updated. [#43091]
	3d viewer and GCrystal:
		* Fix rotation. [#42977] (patch from Toni Andjelkovic)
	All applications:
		* Add appdata files.

Version 0.14.8
	GChemPaint:
		* Fix drawing with Gtk+ >= 3.10.

Version 0.14.7
	GCrystal:
		* Fix crash in dialogs with recent Gtk+.
	Mozilla plugin:
		* Fix crashers for 2D and 3D molecules.

Version 0.14.6
	3d viewer:
		* Avoid empty entries in recent list.
	CGchemPaint:
		* Restore .mol files support.
		* Fix CML import (also affected 3d viewer and >GCrystal).
		* Fix BMP export.
	GCrystal:
		* Fix test order in lines code. [#41261]
	GSpectrum:
		* Fix access to uninitialized data.
		* Don' double free a string.
	GOffice component:
		* Don't crash when editing after saving a GChemPaint object.
	Mozilla plugin:
		* Fix supported mime-types list. (see Debian bug #716961)
	Other:
		* Fix build on FreeBSD (Koop Mast). [#41256]

Version 0.14.5
	GChemPaint:
		* Make adding template work again.

Version 0.14.4
	GChemPaint:
		* Do not use a NULL atom properties. [#40194]

Version 0.14.3
	GChemPaint:
		* Really close the window on delete event.
		* Don't crash when aligning ungrouped objects.
	GChemTable:
		* Fix crash when using masses in a graph.
		* Fix graph behavior after edition.
	All:
		* Make sure to not create a C++ locale from a NULL string.

Version 0.14.2
	GChemPaint:
		* Fix crash when loading some molecules (was introduced in 0.14.1).

Version 0.14.1
	GChemPaint:
		* Do not allow a mesomery destruction when inside a reaction.
		* Fix molecule deletion inside a mesomery.
		* Fix reactant deletion inside a reaction.
		* Don't crash when a mesomery inside a reaction is destroyed.
		* Check molecule consistency when loading, avoids a stack overflow.
		* Enhanced representaion of chiral molecules imported from CML and other
		formats.
		* Fix crash when deleting a cyclic bond.
	GCrystal:
		* Fix row selection operations order in grids.

Version 0.14.0
	GChemPaint:
		* Fix reaction construction.
		* Fix non bonding electron pairs.

Version 0.13.99
	GChemPaint:
		* Fix squiggle bonds period.
		* Allow brackets around a mesomery.
		* Allow a mesomery inside a reaction.
		* Fixed some meomory access issues.
		* Fixed crash when loading a group.
		* Fixed mesomery construction.
		* Fixed crash when ungrouping.

Version 0.13.98
	GChemPaint:
		* Don't freeze after an aborted molecules merge.
		* Initialize the bond order for the Newman projection tool.
		* Don't crash when adding brackets around a fragment.
		* Fix undoing a molecule partial flip.
		* Fix bracket stoichiometry index position after a transform.
		* Fix explicit lone pairs count evaluation.

Version 0.13.92
	GChemCalc
		* Updated the documentation.
	GChemPaint:
		* Fix View::BuildSVG() and View::BuildEPS() which were missing the
		trailing 0.
		* Fix misleading error message while saving.
		* Fix loading of arrows inside a group. [#27032]
	GCrystal:
		* Apply element change to all slected atoms.
		* Updated the documentation.
	GSpectrum:
		* Add "Response factor" as supported unit.
		* Fixed widgets spacing.
		* Updated the documentation.
	GChemTable:
		* Updated the documentation.

Version 0.13.91
	3d viewer:
		* Show all menu items when a molecule is loaded from the command line.
		* Updated user documentation.
	GChemPaint:
		* Don't crash on startup.
	All:
		* Fix localization issues.
		* Fixed modal message boxes behavior.

Version 0.13.90
	3d viewer:
		* Fix import from pdb files. [#36582]
	GCrystal:
		* Fix infinite loop condition. [#36583]
		* Fix atomic radius change issue.
	GChemTable:
		* Fix languages translation.

Version 0.13.7
	GChemPaint:
		* Fixed crash when selecting the alignment item inside a mechanism
		step. [#35626]
	GCrystal:
		* Fixed loading CIF files using uptodate space groups descriptions.
	Other:
		* License is now GPL version 3 (except for the OpenBabel related code).
		* Fix build on big endian machines (Dan Horak). [#36175]
		* Updated API documentation.

Version 0.13.6
	GChemPaint:
		* fixed text position serialization. [#34947]
		* add some support for Newman projections.
		* accept some multisteps reactions.
	Goffice component:
		* Add support for 3D molecular structures.
	Other:
		* Fixed pixmaps installation directory. [#35272]
		* fixed build with ->l,--no-undefined. [patch #7677]

Version 0.13.5
	3d viewer:
		* Import from InChI or SMILES.
		* Export to GChemPaint and GChemCalc.
		* Generates InChI, InChiKey and SMILES.
		* Add access to databases.
	GChemPaint:
		* Brackets inside a molecule accept a stoichiometry coefficient.
	GCrystal:
		* Use multiple selection in atoms and lines dialogs.
	GSpectrum:
		* Allow markup in combo boxes and axes titles.
	Goffice component:
		* Add support for crystal structures.
	Other:
		* Fixed one more OpenGL related crasher.

Version 0.13.4
	All:
		* Ported to Gtk+-3.0.
	GCrystal:
		* Use the new GcrGrid item in atoms, lines and cleavages dialogs.
		* Make these and size dialogs instant apply.
	GChemTable:
		* Use a more complete tip window for elements.

Version 0.13.3
	GChemPaint:
		* Fixed build with gcc-4.6. [#32363]
		* Allow colored atomic symbols on a per-document basis.
		* Brackets tool now working, not perfectly though.
	Other:
		* Don't use POLLRDHUP when not defined. [#32768]
		* Split libgcu so that libgcu itself never calls gtk+ directly.

Version 0.13.2
	GChemPaint:
		* Do not allow document changes using keyboard while
		dragging the mouse. [#31812]
		* Don't add new molecules when undoing a mechanism arrow deletion.
		[#32433]
		* Removed the Wikipedia tool which was obsolete.
		* Reorganized molecule contextual menu with new 3D options
		and databases access.
	Other:
		* OpenBabel support has been moved to a separate process and greatly
		enhanced, specially for 3D export from gchempaint.
		* A lot of bugs have been fixed.

Version 0.13.1
	GSpectrum:
		* Loads NUTS files.
		* Transforms FID to spectrum.

Version 0.13.0
	GChemPaint:
		* New "lasso" tool to allow partial selections.
		* New "brackets" tool (doesn't work yet).
	Other:
		* libgcr: new library for GCrystal.
		* Fixed all bugs discovered in the 0.12 banch.
   2020-06-02 10:25:05 by Adam Ciarcinski | Files touched by this commit (1689)
Log message:
Revbump for icu
   2020-03-10 23:11:24 by Thomas Klausner | Files touched by this commit (1681) | Package updated
Log message:
librsvg: update bl3.mk to remove libcroco in rust case

recursive bump for the dependency change
   2020-03-08 17:51:54 by Thomas Klausner | Files touched by this commit (2833)
Log message:
*: recursive bump for libffi
   2020-01-19 00:36:14 by Roland Illig | Files touched by this commit (3046)
Log message:
all: migrate several HOMEPAGEs to https

pkglint --only "https instead of http" -r -F

With manual adjustments afterwards since pkglint 19.4.4 fixed a few
indentations in unrelated lines.

This mainly affects projects hosted at SourceForce, as well as
freedesktop.org, CTAN and GNU.