Just wanted to point to the development version of VMD Currently 1.8.7a60 is available via BioCore --> http://www.ks.uiuc.edu/Research/biocore/ Once you registered you can download it in the "BioFS Shared Filesystem" in the folder "alpha". The precompiled bin works nice. Kind regards blubbi
Um, wouldn't that version be lower than the current 1.8.6?
(In reply to comment #1) > Um, wouldn't that version be lower than the current 1.8.6? > Sorry, I meant 1.8.7a60 Kind regards blubbi
Its binary only version =/ I have access to their CVs but not sure if i can share source tarbolls
(In reply to comment #3) > Its binary only version =/ > I have access to their CVs but not sure if i can share source tarbolls > Can or allowed to? In the first case, let me know. In the last case, why should they deny it? Let's ask someone in charge. Kind regards Bjoern
FYI: vmd-1.8.7 has been released. I'll see that I can get it into portage soon. @Alexey: Unless you have explicit permission from the Schulten group, you can definitely not distribute sources pulled from their cvs. Best, Markus
Ok. If you have no time i can add 1.8.7 (it seems to support cuda and gpgpu computing) (In reply to comment #5) > FYI: vmd-1.8.7 has been released. I'll see that I can get it > into portage soon. > > @Alexey: Unless you have explicit permission from the Schulten > group, you can definitely not distribute sources pulled from > their cvs. > > Best, > Markus > > >
I've added vmd-1.8.7 to portage. Currently the cuda stuff is disabled since I will have to take a much more careful look at the bits and pieces before I can be confident that users will be able to build it reliably. cheers, Markus
(In reply to comment #7) > I've added vmd-1.8.7 to portage. Currently the cuda stuff is > disabled since I will have to take a much more careful look > at the bits and pieces before I can be confident that users > will be able to build it reliably. > > cheers, > Markus > I am heavy user of VMD, let me know if I can help testing the CUDA stuff. I can test on 3 PCs with CUDA capable Cards (8600, 9600 and GTX260) all three running Gentoo x86_64 kind regards Bjoern
(In reply to comment #7) > I've added vmd-1.8.7 to portage. Currently the cuda stuff is > disabled since I will have to take a much more careful look > at the bits and pieces before I can be confident that users > will be able to build it reliably. > > cheers, > Markus > I had to remove [-truetype] to compile it.... --- /usr/portage/sci-chemistry/vmd/vmd-1.8.7.ebuild 2009-08-06 16:19:15.000000000 +0200 +++ /usr/local/portage/private/sci-chemistry/vmd/vmd-1.8.7.ebuild 2009-08-06 17:28:11.000000000 +0200 @@ -21,7 +21,7 @@ DEPEND="x11-libs/libXft virtual/opengl x11-libs/fltk:1.1 >=dev-lang/tcl-8.4 - >=dev-lang/tk-8.4[-truetype] + >=dev-lang/tk-8.4 =dev-lang/python-2* dev-lang/perl dev-python/numpy Greetings Bjoern
Hi Bjoern, Thanks much for the note. I've reworked the ebuild a bit so tk-8.4 users don't run into trouble. The main issue here is that tk-8.5 with the truetype useflag breaks some of vmd's apps (timeline, sequence viewer). I've removed the EAPI2 [-truetype] bit and instead added an explicit error to the ebuild for tk-8.5 users with USE="truetype". In principle, we could let the build continue despite this but then some of vmd's functionality would be broken which seems kind of bad. If people think that throwing an error is unreasonable please let me know and I'll rethink this. Also, if there are any other issues please file a new bug since I tend not keep track of resolved bugs very well ;) Thanks much, Markus
Created attachment 200500 [details] KDE4 desktop File for VMD (In reply to comment #10) > Hi Bjoern, > > Thanks much for the note. I've reworked the ebuild a bit > so tk-8.4 users don't run into trouble. > > The main issue here is that tk-8.5 with the truetype useflag > breaks some of vmd's apps (timeline, sequence viewer). I've > removed the EAPI2 [-truetype] bit and instead added an explicit > error to the ebuild for tk-8.5 users with USE="truetype". > In principle, we could let the build continue despite this > but then some of vmd's functionality would be broken which seems > kind of bad. If people think that throwing an error is unreasonable > please let me know and I'll rethink this. > > Also, if there are any other issues please file a new bug > since I tend not keep track of resolved bugs very well ;) > > Thanks much, > Markus > > > I didn't use the timeline and Sequence viewer, but indeed, the Text is gone. Why not add a KDE menu Icon? I made one myself and placed it in ~/.local/share/applications/ Kind regards Bjoern
Created attachment 200501 [details] vmd.png Simple VMD icon. Greetings Bjoern
Pretty cool, thanks! I'll add this the ebuild over the weekend. cheers, Markus
Something from the mailinglist wich yould be interesting for adding CUDA to VMD in gentoo: From: John Stone You need to have up-to-date drivers. If you have old drivers VMD will not see the cards. If VMD isn't seeing the cards, check /proc/driver/nvidia/version and make sure you've got 185 series drivers or later, for example: % cat /proc/driver/nvidia/version NVRM version: NVIDIA UNIX x86_64 Kernel Module 190.16 Fri Jul 17 15:47:51 PDT 2009 For your self-compiled VMD builds, since you didn't say which version of CUDA you compiled with, you'll need to make sure that your drivers are new enough for the version of CUDA you compiled with. For CUDA 2.2 that'd be the 185 series drivers. For CUDA 2.3, you need the bleeding edge 190.x series drivers like the one I show above
