Changes between Version 1 and Version 2 of Dev2022-8-29


Ignore:
Timestamp:
Aug 29, 2022, 4:38:43 PM (3 years ago)
Author:
Tom Goddard
Comment:

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  • Dev2022-8-29

    v1 v2  
    2424--------------------------
    2525= Discussion =
     26
     27* OpenMM needs for Tristan
     28  - Tristan is now at Altos Labs and has resources to work on ChimeraX.
     29  - Do we have suggestions for what ChimeraX developments to pursue?
     30  - Eric is a few months away from getting Dock Prep done.  Then he will look at minimization with OpenMM and there may be some needs.
     31  - ISOLDE has many enhancements to OpenMM that could be modularized for use outside ISOLDE like handling glycans that we could use for minimization or simulations that resolve clashes.
     32 - Greg about working on OpenMM user install to get matching CUDA distribution.  Or to setup for a new AMD GPU.
     33  - Maybe work to simplify binary builds for third-party developers.
     34
     35* VR needs for Tristan
     36  - Tristan says head of Altos software development is excited about VR use with ISOLDE.
     37  - VR user interface and performance issues are likely.
     38  - Mostly needs someone to spend months trying to use ISOLDE in VR to identify biggest obstacles.
     39
     40* Meet with Tristan
     41  - We should meet with Tristan to discuss how Altos can help ChimeraX.
     42  - UCSF team all ok with 9 AM meeting, not Thursday.
     43  - Tom will arrange a meeting.
     44
     45* Linux compilers
     46  - Greg updated linux compilers uses for ChimeraX.
     47  - Not sure if Tristan is using these compilers yet.  Need to ask.
     48
     49* Mac universal builds
     50  - Greg says to make it another platform in build system.
     51  - Tom suggests offering universal, arm and intel separate downloads.
     52  - Eric asks if javascript can distinguish arm vs intel.  Apparently not.
     53  - Might drop 10.14 for ChimeraX 1.5 release -- it does not support LZMA compression.  If we keep it we need to use old compression, maybe just for the intel distribution.
     54
     55* Singularity build scripts
     56  - Greg and Zach propose moving singularity build scripts from the private build_tools repository to the chimerax repository.
     57  - Could put in a new directory named CI or build_tools, or build_env.
     58  - Zach has continuous integration scripts currently in a util directory that could also go in this new build tools directory.
     59
     60* Atom spec parsing crashes.
     61  - Eric or Greg might look at this.  Zach says he could possibly.  Eric says it is on his TODO list.
     62  - Plan is to fix it for ChimeraX 1.6, research solutions now.
     63  - Needs PEG parser.
     64  - Python 3.10 or 3.11 uses a new PEG parser which may be suitable.
    2665
    2766--------------------------