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cctbx package

cctbx 2023.12+ds2+~3.17.0+ds1-1 source package in Ubuntu

Changelog

cctbx (2023.12+ds2+~3.17.0+ds1-1) unstable; urgency=medium

  [ Bastian Germann ]
  * Add missing autopkgtest dep pytest-regressions

  [ Neil Williams ]
  * Update control to remove myself from Uploaders

  [ Picca Frédéric-Emmanuel ]
  * New upstream version 2023.12+ds2+~3.17.0+ds1
  * d/patches
    - fix the entry_points Python3.12 incompatibility
    - dxtbx use ordered-set instead of orderedset
  * d/t/dxtbx: skip nxmx test fo now
  * d/rules: install the serialtbx module
  * Bug fix: "FTBFS: boost1.83 transition", thanks to
    <email address hidden></a>; (Closes: #1056086).
  * Bug fix: "FTBFS with Python 3.12", thanks to Graham Inggs (Closes:
    #1058039).

 -- Picca Frédéric-Emmanuel <email address hidden>  Tue, 09 Jan 2024 22:41:16 +0100

Upload details

Uploaded by:
Debian Science Team
Uploaded to:
Sid
Original maintainer:
Debian Science Team
Architectures:
amd64 arm64 armel armhf i386 ppc64 ppc64el riscv64 s390x
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

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File Size SHA-256 Checksum
cctbx_2023.12+ds2+~3.17.0+ds1-1.dsc 3.8 KiB a74f71625b37b7050efc0bdf729ecb84513ffd9f851533ee7be273b1a1cd8e4f
cctbx_2023.12+ds2+~3.17.0+ds1.orig-dxtbx.tar.xz 344.1 KiB 82bd787fee9624766cb748f58368535bcf7bb35100c660f397a07e93b5b906da
cctbx_2023.12+ds2+~3.17.0+ds1.orig.tar.xz 22.5 MiB b9fb29501e5916d780e9088415d738fa4f115e2b698908ade233a1295fb352f7
cctbx_2023.12+ds2+~3.17.0+ds1-1.debian.tar.xz 407.2 KiB 805ca0ddf56d602ed2b57071393eb20cccf82f4f2a10efa90f28e108b90fc594

No changes file available.

Binary packages built by this source

libcctbx-dev: Computational Crystallography Toolbox - headers

 Computational Crystallography Toolbox contains following modules:
    - annlib_adaptbx:
    - boost_adaptbx: wrappers for Boost functionality in CCTBX
    - cbflib_adaptbx:
    - ccp4io_adaptbx:
    - cctbx: Libraries for general crystallographic applications,
             useful for both small-molecule and macro-molecular
             crystallography.
    - cma_es:
    - crys3d: Modules for the display of molecules, electron density,
              and reciprocal space data.
    - dxtbx: The Diffraction Image Toolbox, a library for handling
             X-ray detector data of arbitrary complexity from a variety
             of standard formats.
    - fable: Fortran EMulation library for porting Fortran77 to C++.
    - gltbx: Python bindings for OpenGL
    - iotbx: Working with common crystallographic file formats.
    - libtbx: The build system common to all other modules. This includes
              a very thin wrapper around the SCons software construction tool.
              It also contains many useful frameworks and utilities to simplify
              application development, including tools for regression testing,
              parallelization across multiprocessor systems and managed clusters,
              and a flexible, modular configuration syntax called PHIL
              (Python Hierarchial Interface Language) used throughout the CCTBX.
    - mmtbx: Functionality specific to macromolecular crystallography.
             This includes all of the machinery required for setup of
             geometry restraints, bulk solvent correction and scaling,
             analysis of macromolecular diffraction data, calculation of
             weighted map coefficients, and most of the methods implemented
             in phenix.refine. The majority of infrastructure for the MolProbity
             validation server (and Phenix equivalent) is also located here.
    - omptbx: OpenMP interface.
    - rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
             diffraction, given the reciprocal space vectors.
    - scitbx: General scientific calculations. his includes a family of
      high-level C++ array types, a fast Fourier transform library,
      and a C++ port of the popular L-BFGS quasi-Newton minimizer.
    - smtbx: Small-Molecule crystallography.
    - spotfinder:
    - tbxx:
    - wxtbx: wxPython controls used in the Phenix GUI and various
        utilities
 .
 This package provide everythings needed to link against the cctbx libraries.

libcctbx0: Computational Crystallography Toolbox - runtime libraries

 Computational Crystallography Toolbox contains following modules:
    - annlib_adaptbx:
    - boost_adaptbx: wrappers for Boost functionality in CCTBX
    - cbflib_adaptbx:
    - ccp4io_adaptbx:
    - cctbx: Libraries for general crystallographic applications,
             useful for both small-molecule and macro-molecular
             crystallography.
    - cma_es:
    - crys3d: Modules for the display of molecules, electron density,
              and reciprocal space data.
    - dxtbx: The Diffraction Image Toolbox, a library for handling
             X-ray detector data of arbitrary complexity from a variety
             of standard formats.
    - fable: Fortran EMulation library for porting Fortran77 to C++.
    - gltbx: Python bindings for OpenGL
    - iotbx: Working with common crystallographic file formats.
    - libtbx: The build system common to all other modules. This includes
              a very thin wrapper around the SCons software construction tool.
              It also contains many useful frameworks and utilities to simplify
              application development, including tools for regression testing,
              parallelization across multiprocessor systems and managed clusters,
              and a flexible, modular configuration syntax called PHIL
              (Python Hierarchial Interface Language) used throughout the CCTBX.
    - mmtbx: Functionality specific to macromolecular crystallography.
             This includes all of the machinery required for setup of
             geometry restraints, bulk solvent correction and scaling,
             analysis of macromolecular diffraction data, calculation of
             weighted map coefficients, and most of the methods implemented
             in phenix.refine. The majority of infrastructure for the MolProbity
             validation server (and Phenix equivalent) is also located here.
    - omptbx: OpenMP interface.
    - rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
             diffraction, given the reciprocal space vectors.
    - scitbx: General scientific calculations. his includes a family of
      high-level C++ array types, a fast Fourier transform library,
      and a C++ port of the popular L-BFGS quasi-Newton minimizer.
    - smtbx: Small-Molecule crystallography.
    - spotfinder:
    - tbxx:
    - wxtbx: wxPython controls used in the Phenix GUI and various
        utilities
 .
 This package provide the cctbx runtime libraries.

libcctbx0-dbgsym: debug symbols for libcctbx0
python3-cctbx: Python Toolbox for crystallography

 Computational Crystallography Toolbox contains following modules:
    - annlib_adaptbx:
    - boost_adaptbx: wrappers for Boost functionality in CCTBX
    - cbflib_adaptbx:
    - ccp4io_adaptbx:
    - cctbx: Libraries for general crystallographic applications,
             useful for both small-molecule and macro-molecular
             crystallography.
    - cma_es:
    - crys3d: Modules for the display of molecules, electron density,
              and reciprocal space data.
    - dxtbx: The Diffraction Image Toolbox, a library for handling
             X-ray detector data of arbitrary complexity from a variety
             of standard formats.
    - fable: Fortran EMulation library for porting Fortran77 to C++.
    - gltbx: Python bindings for OpenGL
    - iotbx: Working with common crystallographic file formats.
    - libtbx: The build system common to all other modules. This includes
              a very thin wrapper around the SCons software construction tool.
              It also contains many useful frameworks and utilities to simplify
              application development, including tools for regression testing,
              parallelization across multiprocessor systems and managed clusters,
              and a flexible, modular configuration syntax called PHIL
              (Python Hierarchial Interface Language) used throughout the CCTBX.
    - mmtbx: Functionality specific to macromolecular crystallography.
             This includes all of the machinery required for setup of
             geometry restraints, bulk solvent correction and scaling,
             analysis of macromolecular diffraction data, calculation of
             weighted map coefficients, and most of the methods implemented
             in phenix.refine. The majority of infrastructure for the MolProbity
             validation server (and Phenix equivalent) is also located here.
    - omptbx: OpenMP interface.
    - rstbx: A reciprocal space toolbox to autoindex small molecule Bragg
             diffraction, given the reciprocal space vectors.
    - scitbx: General scientific calculations. his includes a family of
      high-level C++ array types, a fast Fourier transform library,
      and a C++ port of the popular L-BFGS quasi-Newton minimizer.
    - smtbx: Small-Molecule crystallography.
    - spotfinder:
    - tbxx:
    - wxtbx: wxPython controls used in the Phenix GUI and various
        utilities
 .
 This package provide a selected collection of python modules from the cctbx project.

python3-cctbx-dbgsym: debug symbols for python3-cctbx