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WP0 Core activities Martyn Winn

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

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  1. 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

  2. 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 (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

  3. 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

  4. Licences • 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

  5. 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

  6. 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

  7. Time analysis M.D.Winn, DL, March 17th 2008

  8. Observations • 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

  9. 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

  10. 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

  11. 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

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

  13. 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 (ccp4@dl.ac.uk) • 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

  14. 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

  15. 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

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