Your message dated Fri, 6 Apr 2018 13:07:17 +0200
with message-id <20180406110716.dfjwqvmhhjvpnvmp@pagode>
and subject line Closing wishlist bug
has caused the Debian Bug report #717209,
regarding avogadro: Visualizing orbitals generated with MOLCAS
to be marked as done.
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Bug report if necessary, and/or fix the problem forthwith.
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--
717209: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=717209
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Package: avogadro
Version: 1.0.3-5
Severity: wishlist
Dear Maintainer,
To my knowledge the only program able to display molecular orbitals from a .grid
file generated with MOLCAS is the program gv distributed with the MOLCAS
package.
It would be very nice to have another (free) tool able to render these orbitals.
Many thanks,
João
-- System Information:
Debian Release: 7.1
APT prefers stable
APT policy: (500, 'stable')
Architecture: i386 (i686)
Kernel: Linux 3.2.46 (SMP w/2 CPU cores)
Locale: LANG=en_US, LC_CTYPE=en_US (charmap=ISO-8859-1)
Shell: /bin/sh linked to /bin/dash
Versions of packages avogadro depends on:
ii libavogadro1 1.0.3-5
ii libboost-python1.49.0 1.49.0-3.2
ii libc6 2.13-38
ii libgcc1 1:4.7.2-5
ii libgl1-mesa-glx [libgl1] 8.0.5-4+deb7u2
ii libgl2ps0 1.3.6-1
ii libglew1.7 1.7.0-3
ii libglu1-mesa [libglu1] 8.0.5-4+deb7u2
ii libopenbabel4 2.3.1+dfsg-4
ii libpython2.7 2.7.3-6
ii libqt4-network 4:4.8.2+dfsg-11
ii libqt4-opengl 4:4.8.2+dfsg-11
ii libqtcore4 4:4.8.2+dfsg-11
ii libqtgui4 4:4.8.2+dfsg-11
ii libstdc++6 4.7.2-5
ii libx11-6 2:1.5.0-1+deb7u1
ii libxext6 2:1.3.1-2+deb7u1
Versions of packages avogadro recommends:
ii avogadro-data 1.0.3-5
avogadro suggests no packages.
-- no debconf information
--- End Message ---
--- Begin Message ---
Molcas has changed the format of the orbital files.
There is now a free program (Luscus) which reads the new format
http://luscus.sourceforge.net
Molcas also produces files in the Molden format which Avogadro is able to read
(with some problems).
Avogadro is a great program that needs some developer attention and does not
need the distraction of a non-standard format.
Many thanks,
João
--- End Message ---
