cctbx multi-platform build 2005_03_02

Build tag: 2005_03_02_2358

Self-extracting binary distributions

cctbx+Python bundles are larger but completely self-contained.
cctbx only bundles use the Python that ships with the OS or require that a matching Python version is installed separately.
Use [stream] if your browser displays the [direct] download in a text window instead of saving it to a file.
Use cctbx.python to run scripts. The plain python command is not longer supported to avoid confusion with the Python version provided by some operating systems.

Platform	cctbx+Python	cctbx only
IRIX 6.5.10 MIPSpro 7.3.1.2 Python 2.4	[stream][direct] 28.0 MB	[stream][direct] 18.9 MB
IRIX 6.5.21 MIPSpro 7.41 Python 2.4	[stream][direct] 27.4 MB	[stream][direct] 18.4 MB
Mac OS 10.2.8 [Notes] Python 2.3	Python 2.3 must be installed separately	[stream][direct] 14.2 MB
Mac OS 10.3.9 [Notes]	Python 2.3 ships with OS	[stream][direct] 15.8 MB
Red Hat 7.3 Python 2.4	[stream][direct] 26.1 MB	[stream][direct] 14.3 MB
Red Hat 8.0 Python 2.4	[stream][direct] 21.8 MB	[stream][direct] 9.0 MB
Red Hat 9.0	Python 2.2.2 ships with OS	[stream][direct] 9.0 MB
Red Hat 9.0 Python 2.4	[stream][direct] 21.5 MB	[stream][direct] 9.0 MB
Red Hat WS 3	Python 2.2.3 ships with OS	[stream][direct] 9.0 MB
Red Hat WS 3 Python 2.4	[stream][direct] 19.1 MB	[stream][direct] 9.0 MB
Compaq Tru64 V5.1 cxx V6.5-042 Python 2.4	[stream][direct] 25.1 MB	[stream][direct] 16.7 MB
Windows 2000/XP Python 2.2.3	[stream][direct] 10.0 MB	[stream][direct] 6.2 MB
Windows 2000/XP Python 2.4	[stream][direct] 10.0 MB	[stream][direct] 6.2 MB

[Other platforms]

Download the self-extracting binary distribution for your platform to any new, empty directory. Under Unix selfx bundles are installed with the perl command (which is available by default on all supported platforms), for example:

    perl cctbx_redhat80.selfx

Under Windows exe distributions are installed simply by running them.

The installer must be run on the platform where it is used. The installed package may be used over the network, but only if the pathnames to the installation directory are identical on the server and the client.

Uninstalling a bundle is as easy as using rm -rf * in the installation directory under Unix or dragging the installation directory to the Recycle Bin under Windows. The Windows registry is not modified by the installation.

[Installation overview]

Self-extracting cctbx and Python 2.4 sources for Unix

cctbx_python_24_bundle.selfx [stream][direct]
24.2 MB

Download the file and run the following command in any new, empty directory:

    perl cctbx_python_24_bundle.selfx

This installs Python 2.4 and all cctbx modules from scratch.

The install script will prompt for the number of available CPUs. To avoid the prompt (e.g. for scripting the installation), add the number of available CPUs to the command line. E.g.:

    perl cctbx_python_24_bundle.selfx 4

Alternative for manual installation:
cctbx_python_24_bundle.tar.gz [stream][direct]
24.2 MB
[Installation instructions]

Self-extracting cctbx sources for Unix

cctbx_bundle.selfx [stream][direct]
15.4 MB

Download the file and run the following command in any new, empty directory:

    perl cctbx_bundle.selfx

This installs all cctbx modules from scratch. Python 2.2.1 or higher must be pre-installed on the target machine. Known to work under Redhat 8.0 or higher with the Python version that ships with the operating system (/usr/bin/python). The first python on PATH is used. To install with a different, specific python, add the full path to the command line, e.g.:

    perl cctbx_bundle.selfx /usr/local/bin/python

Alternative for manual installation:
cctbx_bundle.tar.gz [stream][direct]
15.4 MB
[Installation instructions]

Self-extracting cctbx sources for Windows

cctbx_bundle.exe [stream][direct]
22.6 MB

Execute this file in any new, empty directory to unpack the sources required for compiling all cctbx modules from scratch.
[Installation instructions]

Changes

iotbx.reflection_file_reader:
  - special treatment of SHELX reflection files:
      =amplitudes
      =hklf3
      =intensities
      =hklf4

cctbx.sgtbx.space_group:
  - new average_u_star()
  - new tensor_constraints()
  - new adp_constraints()

cctbx.xray.minimization:
  - new u_penalty_exp
  - new u_penalty_singular_at_zero
  - new occupancy_penalty
  - new sqrt_u_iso option

cctbx.xray.structure:
  - new is_positive_definite_u()
  - new tidy_us()
  - new shift_us()
  - show_pairs -> cctbx.crystal.show_distances
  - new show_distances() method

cctbx.xray.scatterer:
  - new is_positive_definite_u()
  - new tidy_u()
  - new shift_u()
  - apply_symmetry no longer performs eigenvalue filtering for u_star

cctbx/xray/fast_gradients.h:
  - generalized to work for negative u, occupancies, fp

cctbx.crystal.pair_asu_table:
  - new show_distances() method
  - new pair_counts() method

cctbx.crystal.neighbors_simple_pair_generator:
cctbx.crystal.neighbors_fast_pair_generator:
  - new max_distance_sq() method

new scitbx.math.basic_statistics
new scitbx.math.icosahedron (contributed by Erik McKee)
new scitbx.math.lambertw(): Lambert's W function: w(x)*e^(w(x))=x

libtbx:
  - major setpaths overhaul
  - major config overhaul to introduce --repository support

Latest CCP4 I/O CVS (2005_03_02_0129)
Latest Clipper (2005_02_25)
Recent Boost (2005_02_15_2347)