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

WP0 Core activitiesMartyn 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 (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


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


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


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)


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


Time analysis User emails

Coll. emails

Bugs 6.1 CCP4 Dev.

Project Mtgs Admin

Wk 1

MdwPjbCcbFrRmkNds

100051525

500500

500101550

2576040255

107010100

0580101510

20105201510

251835050

Wk 2

MdwPjbCcbFrRmkNds

52003520

5301050

55052020

25760401515

1000505

5650351020

208551020

251035050

Wk 3

MdwPjbCcbFrRmkNds

50010150

550500

1050101520

251060302520

10005105

0100201035

20405202020

251035050


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


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


Future directionAt 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.


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


END


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


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


Plans for 2007 / 2008

Release 6.1 and patch releases - see Charles’ talkOn-going work on installation and updates - see Francois’ talkConferences: ECM, ACA - see Maeri’s talkKeep financially solvent - see Keith’s talk

Documents

M.D.Winn, DL, March 17th 2008 WP0 Core activities Martyn Winn Releases PDB format Licence Workshops Support Summary of activities Priorities for the future