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History of commit frequency

CVS Commit History:


   2018-01-01 19:16:39 by Roland Illig | Files touched by this commit (47)
Log message:
Replaced $(ROUND) with ${CURLY} variable references.

This has been a pkglint warning for several years now, and pkglint can even
fix it automatically. And it did for this commit.

Only in lang/mercury, two passes of autofixing were necessary because there
were nested variables.
   2018-01-01 02:15:25 by Roland Illig | Files touched by this commit (1)
Log message:
Cleanup: replace curly braces with parentheses.
   2017-02-12 07:26:18 by Ryo ONODERA | Files touched by this commit (1451)
Log message:
Recursive revbump from fonts/harfbuzz
   2017-02-06 14:56:14 by Thomas Klausner | Files touched by this commit (1452)
Log message:
Recursive bump for harfbuzz's new graphite2 dependency.
   2016-08-03 12:23:40 by Adam Ciarcinski | Files touched by this commit (1248) | Package updated
Log message:
Revbump after graphics/gd update
   2015-12-12 18:26:05 by Sebastian Wiedenroth | Files touched by this commit (1)
Log message:
Fix network libs on SunOS
   2015-11-02 19:42:23 by Alistair G. Crooks | Files touched by this commit (38)
Log message:
Add SHA512 digests for distfiles for biology category.

Existing SHA1 digests verified, all found to be the same on the
machine holding the existing distfiles (morden).  Existing SHA1
digests retained for now as an audit trail.
   2015-07-27 21:47:55 by Aleksej Saushev | Files touched by this commit (1)
Log message:
Skip portability checks for sample scripts.
   2015-07-22 21:05:10 by Aleksej Saushev | Files touched by this commit (5) | Imported package
Log message:
Import Gabedit 2.4.8 as biology/gabedit.

Gabedit is a graphical user interface to computational chemistry
packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC,
OpenMopac, Orca, PCGamess and Q-Chem.

It can display a variety of calculation results including
support for most major molecular file formats.
The advanced "Molecule Builder" allows to rapidly sketch in
molecules and examine them in 3D. Graphics can be exported to
various formats, including animations.

Major features

 * Gabedit can create input file for GAMESS(US), GAUSSIAN,
   MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
 * Gabedit can graphically display a variety of Gamess-US,
   Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess,
   Q-Chem, (partially) ErgoSCF and (partially) ADF calculation
   results, including the following:
     + Molecular orbitals.
     + Surfaces from the electron density, electrostatic
       potential, NMR shielding density, and other properties.
     + Surfaces may be displayed in solid, translucent and wire
       mesh modes. they are can be colorcoded by a separate property.
     + Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes
       and the principal axes of the molecule.
     + Animation of the normal modes corresponding to vibrational
       frequencies. 
     + Animation of the rotation of geometry, surfaces, contours,
       planes colorcoded, xyz and the principal axes of the molecule.
     + Animation of contours, Animation of planes colorcoded.
 * Gabedit can display UV-Vis, IR and Raman computed spectra.
 * Gabedit can generate a povray file for geometry (including
   hydrogen's bond),surfaces (including colorcoded surfaces),
   contours, planes colorcoded.
 * Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.
 * Gabedit can generate automatically a series of pictures
   for animation (vibration, geometry convergence, rotation, contours,
   planes colorcoded).
 * Simulated Annealing with Molecular Dynamics is implemented in Gabedit
   (using Amber 99 molecular mechanics parameters).


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