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WP0 Core activities Martyn Winn. Releases PDB format Licence Workshops Support Summary of activities Priorities for the future. Releases. 6.0.99a – Dec 07, limited distribution 6.0.99b – apparently in use, see BB messages 6.0.99c – released to ccp4-dev last Friday (14 th March)

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WP0 Core activities

Martyn Winn

  • Releases
  • PDB format
  • Licence
  • Workshops
  • Support
  • Summary of activities
  • Priorities for the future

M.D.Winn, DL, March 17th 2008

  • 6.0.99a – Dec 07, limited distribution
  • 6.0.99b – apparently in use, see BB messages
  • 6.0.99c – released to ccp4-dev last Friday (14th March)
    • source code only
    • all 6.1 programs now included
    • integration of the dbHandler
    • inclusion of refmac_sad code
    • initial test of update alerts
      • should get annoying message from ccp4.setup
      • will use to notify testers of some known issues in 6.0.99c

M.D.Winn, DL, March 17th 2008

libraries pdb format
Libraries / PDB format
  • Various updates: Clipper2, cctbx, etc.
  • Diffraction image library – see FR talk
  • updates to support extensions to PDB format
    • 2-char chain IDs
    • hybrid36 for atom and residue numbers
      • MMDB updated to read/write
      • Fortran wrapper to Ralf’s functions – used in Fortran log output
      • applications being changed for variable dimensions and log output
      • changes neutral for standard PDB files

M.D.Winn, DL, March 17th 2008

  • Paul Sherwood looking at GPL as part of wider software licensing issues in CSED
  • GPLv3 allows us to localise the warranty and liability clauses (to satisfy requirements of English law)
  • He has consulted with Rowan Wilson at OSSWatch (JISC-funded advisory body)
  • email to FSF-Europe unanswered
  • We have a version of GPLv3 with section 15 modified and section 16 replaced
  • CCP4 libraries to be distributed under unmodified LGPLv3 which refers to modified GPLv3
  • Availability announced on CCP4 Licensing page, however main licence document and source code banners need updating

M.D.Winn, DL, March 17th 2008

workshops 2008
Workshops 2008
  • Study Weekend Jan 08
  • Bangalore – Feb 08 (MDW, CCB, MH et al.)
  • “CCP4 structure determination pipeline” – Oulu, Apr 08 (MDW et al.)
  • CCP4 workshop – APS May 08 (RMK, GNM)
  • Stand at ACA
  • Erice May 08 (MDW, EP)
  • Stand at IUCr 08 (MDW)
  • Workshop in Tokyo (CCB, GNM)

M.D.Winn, DL, March 17th 2008

other core activities
Other core activities
  • Maintenance of legacy code, maintenance of GUIs
  • Finance: industrial income, university contracts, workshop sponsorship, travel for exec tutors etc, budget monitoring and presentation, etc.
  • Web site: problems pages, WG minutes, available positions, pre-release software, etc.
  • Organisation of management meetings: this one, exec meetings, etc.
  • CCP4 Newsletters
  • Maintenance of mailing list: subscription problems
  • Funding: India partnering award, Bioxhit, etc

M.D.Winn, DL, March 17th 2008

time analysis
Time analysis

M.D.Winn, DL, March 17th 2008

  • User emails reflect helpdesk, but note run-over into following week
  • Release obviously large activity at the moment, but not year-round
  • Conferences low at the moment (but preparation begun for summer conferences / workshops)
  • PJB project = dbHandler, FR project = DiffractionImage, RMK project = MrBUMP, NDS project = ctruncate/chainsaw
  • Meetings = dev meetings, Keith visits, release meetings, etc.
  • Admin = finance, reports, minutes, arranging travel, internal management
  • Extra admin recently associated with staff changes
  • MDW: percentages of my 80% time
  • NDS: percentage of total time

M.D.Winn, DL, March 17th 2008

priorities for the future
Priorities for the future
  • Staff changes:
    • Wendy left Aug 07
    • Maeri leaving end March 08
    • Pete leaving end September
    • Martyn 60% from April 08
    • Norman?

Plan to recruit, but likely reduction in core activities over next year

  • Chance to reconsider priorities:
    • Creation of WP0
    • Move of core activities to Diamond

M.D.Winn, DL, March 17th 2008

future direction
Future direction

At the moment, all things to all people. Focus??

  • Drop helpdesk? Rely on BB and wiki?
  • Use Diamond location to develop science projects?
  • Or move to dedicated software group?
  • Serve UK or the world?
  • Strengthen core developments at expense of individual projects? I.e. what level of integration?
  • Releases .... see next slide and talk.

M.D.Winn, DL, March 17th 2008

release strategy
Release strategy
  • Garib will say more ....
  • Suite is no longer a simple set of Fortran programs accessing standard file formats via single library
  • Now disparate set of technologies and supporting libraries
  • Includes a number of large and active independent projects – synchronisation is the major problem
  • Business-as-usual no longer possible!
  • Packages are an attempt to address this (release page lists package updates / additions since 6.0.2 e.g. phaser, rampage)

Recommended activity for WP0:

  • Step back and decide what we want
  • Survey other software projects – taking note of relative size of projects

M.D.Winn, DL, March 17th 2008


M.D.Winn, DL, March 17th 2008


Core activities

  • On-going development of supporting code (libraries, GUIs, etc.)
  • On-going development of orphaned code (minor functionality additions)
  • Releases of CCP4 software suite
  • Distribution of other software through Prerelease Page (e.g. Pointless) and more generally (e.g. John Campbell software)
  • Helpdesk ([email protected])
  • Promotion through conferences, site visits, etc.
  • Organisation of workshops
  • Maintenance of CCP4 web pages, ftp site, mailing lists, etc.
  • Various administration, finances, commercial

M.D.Winn, DL, March 17th 2008


Highlights of 2006 / 2007

  • Releases: 6.0.1, 6.0.2
  • Launch of Prerelease Page
  • Helpdesk (rough estimate 15 queries / week)
  • Stands at ACA, ECM
  • Study Weekend @ Reading
  • Workshop in Beijing, 4 university visits
  • Travel grants from BBSRC

M.D.Winn, DL, March 17th 2008


Plans for 2007 / 2008

Release 6.1 and patch releases - see Charles’ talk

On-going work on installation and updates - see Francois’ talk

Conferences: ECM, ACA - see Maeri’s talk

Keep financially solvent - see Keith’s talk

M.D.Winn, DL, March 17th 2008