cctbx 2022.7+ds2-1build2 source package in Ubuntu

Changelog

cctbx (2022.7+ds2-1build2) lunar; urgency=medium

  * No-change rebuild with Python 3.11 as supported

 -- Graham Inggs <email address hidden>  Thu, 03 Nov 2022 18:47:03 +0000

Upload details

Uploaded by:
Graham Inggs
Uploaded to:
Lunar
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

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
cctbx_2022.7+ds2.orig.tar.xz 21.4 MiB d0311323ce7953d322762480bc306fcb87b81b1d6706afb8cc3fb0f264e5d53a
cctbx_2022.7+ds2-1build2.debian.tar.xz 265.4 KiB 2a58ce91a5df5c5568fa457150195a29663ffc48c668254fefe8aeceefe09014
cctbx_2022.7+ds2-1build2.dsc 2.9 KiB 7afc45b5cd87410f98ed89fb7b3d2c5378be90f60f0d09f901ae32baf8f14c93

View changes file

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