CCP4 Release 5.0: Information Updated 18/8/03

This document contains information about the status, content and schedule for next release of the CCP4 software suite (5.0).


The timetable is available via the "CCP4 Releases: Information for Developers" page.

Known/Outstanding Bugs

Go to
NB: Bugs are reported as "ccp4" "5.0.a".

Planned Contents of 5.0

Critical components

Title Assigned to Status Comments Priority
New Licence PJX/KSW/all Ongoing PJX/MHE met Jackie Potts (CCLRC sales and contracts) 11/8/03, who will provide new draft in corporate style.
Still need to update: COPYING files, banners and manual
REFMAC/LIBCHECK PJX Ongoing PJX needs to obtain latest dictionary from Garib. Compatibility problems with new libs (Andrew Sharf) appear to be resolved. Critical
MOSFLM CCB Ongoing Has (severe?) known bugs - fixes expected from HP before release Critical
FFTW MDW/CCB . MDW: now has licence and source code, currently CVSing and setting up configure/build.
Some aspects of licencing wrt CCP4 licence may still need tweaking, e.g. FFTW may be Part 2 software?

Core CCP4 developments

Title Assigned to Status Comments Priority
Windows version PP/MDW/AWA/CCB Ongoing PP and MDW now compile all progs except ccp4mapwish and HBOND. Recurrent problem in fftlib manifesting itself in runtime errors in BEAST, SFALL, REFMAC and others. Harvesting still needs to be tested. High
Xtals in CCP4i MDW/PJX Ongoing MDW to document in CC4P4i help. PJX to examine/test updated interfaces. High
IFC build AWA/PJX In progress PJX to check if there is still a problem with configure being unable to find system rx package when using shared libs. High
configure script MDW/ALL . Make sure that new options are displayed with -h and written to to config.status. Low
Split off MMDB build MDW DONE . N/A
C header files in CCP4 include CCB Dropped for 5.0 . N/A
Db Handler PJX ON HOLD Development currently halted N/A

Non-core CCP4 developments

Title Assigned to Status Comments Priority
Build on Itanium/Linux64bit CCB DONE Build works on SGI Itanium machine. Not yet tested on HP Itanium provided by Tassos. N/A for 5.0
Miscellaneous CCP4i fixes PJX DONE . N/A
Data harvesting management tool PP DONE . N/A
ClustlW interface PP DONE . N/A
Symm/cell/resoln in .mr files PJX DONE . N/A
Scatter plots in loggraph CCB DONE . N/A
CVS tags in CCP4i code PJX/All DONE Implemented in files in src & utils N/A
Multiple logfiles/loggraphs in CCP4i PJX DONE Implemented 17/01/2003 N/A
Configure to check for presence of C++ etc ? Dropped for 5.0 . N/A

Low Priority CCP4i Developments

Title Assigned to Status Comments Priority
MapSlicer extensions PJX Deferred Some changes added (changed handedness, use UVW instead of XYZ for Harkers). Still to do: add Preferences cf loggraph Low
Python scripts in CCP4i MDW Deferred May need testing/tidying Low
Removal of Refmac4 interface PJX DONE . N/A
CCP4i under Tcl/Tk 8.4 PJX/CCB DONE . N/A
Improved task installer PJX Dropped for 5.0 . N/A
CCP4i job list tools PJX Dropped for 5.0 . N/A

External Contributions

Title Assigned to Status Comments Priority
BULK MDW Ongoing Two progs (BULKING and PREP_BULK) need documenting. High
MOSFLM CCP4i interface PJX Ongoing Still needs bug fixes and modifications suggested by HP High
WHAT_CHECK AWA DONE Will be distributed as "plug-in" package from ftp site N/A for 5.0
Clipper CCB DONE May be reactivated if Kevin makes another update (contact CCB in this event?) N/A
Polarrfn MDW DONE . N/A
SFTOOLS MDW DONE Needs update for xtals - contact Bart Hazes N/A
TopDraw PJX DONE . N/A
Acorn PJX DONE . N/A
MapView CCB Not for inclusion in 5.0 Paul Emsley N/A
MMDB-based programs MDW DONE e.g. PDBcur N/A
Dtrek2Scala AWA DONE . N/A

Documentation & Tutorials

Title Assigned to Status Comments Priority
New tutorials PJX Ongoing Check with Maria concerning current status, add those which are currently available to the suite. High
Installation documentation ALL . Need to add new configure options and new dependencies (e.g. C++ libs) Low
New library documentation MDW Ongoing Fortran "old-library" documentation needs to be updated. Medium
Document Data Harvesting Management Tool & ClustalW interface PP DONE . N/A
Maths for xtallographers AWA DONE . N/A
Interactive CCP4i tutorials PJX ON HOLD From Maria. N/A


Use this area as a "scratch pad" - add items which are unassigned etc

Status of build on DL (and other) platforms

Auto-build logs are available here.

This section last updated 30/06/2003

Date Hostname O/S Version Compiler info Configure Make Install Run-all Others Comments
30/6/2003 dlpx1 IRIX 6.5 Native irix --with-x . . OK ? Build failed due to lack of disk space (30/6/03)
28/6/2003 dlpx1 IRIX 6.5 Native irix --with-x --with-shared-lib . . OK OK .
30/6/2003 ccp4g OSF1 4.0 Native osf1 --with-x . . Refmac5 exe too big to run - others ok Mosflm test ok Same using shared libs
3/6/2003 ccp4l SunOS 5.8 Native sunos64 --with-x . . ? ? Static lib build failed due to lack of disk space (30/6/03)
Shared lib build fails in CCIF (28/6/03)
3/6/2003 ccp4h Redhat Linux 8.0 gcc 3.2-7 linux --with-x . . ? ? Build failed due to lack of disk space (1/7/03)
3/6/2003 ccp4h Redhat Linux 8.0 gcc 3.2-7 linux --with-x -with-shared-lib . . icoefl.exam fails Mosflm fails .
30/6/2003 ccp4h Redhat Linux 8.0 Intel Compiler 7.0 linux_intel_compilers --with-rxdispencer --with-x . . OK Mosflm fails .
28/6/2003 ccp4h Redhat Linux 8.0 Intel Compilers 7.0 linux_intel_compilers --with-rxdispencer --with-x --with-shared-lib TBA Fails to build Mosflm . All fail due to missing Fails - no mosflm exe
3/6/2003 ccp4port2 - new laptop Redhat Linux 7.3 gcc 2.96-110 --with-x linux OK OK OK . .
3/6/2003 ccp4port2 Redhat Linux 7.3 gcc 2.96-110 --with-x --with-shared-lib linux OK OK some fails - watertidy3-shells . icoefl and sf_calc fail in run-all but ok by hand.
3/6/2003 kemvig2 - Kats Machine Redhat Linux 9.0 gcc 3.2.2-5 --with-x linux OK OK OK . .
3/6/2003 kemvig2 Redhat Linux 9.0 gcc 3.2.2-5 --with-x --with-shared-lib linux Fails on ccif . . . .
30/6/2003 ccp4k SuSe Linux 7.3 gcc linux --with-x . . Failures for arp_waters.exam, refmac5_tls.exam, beast.exam Mosflm test ok .