cctbx 2022.9+ds2+~3.11.2+ds1-5 source package in Ubuntu

Changelog

cctbx (2022.9+ds2+~3.11.2+ds1-5) unstable; urgency=medium

  * Team upload.

  [ Picca Frédéric-Emmanuel ]
  * d/control: added B-D python3-pymol

  [ Stefano Rivera ]
  * Patch: setuptools > 60 support (avoid pip breaking setuptools distutils
    magic). (Closes: #1024859)
  * Patch: Use the python3 binary when calling pip.
  * Depend on python3-h5py in the 2nd autopkgtest.

 -- Stefano Rivera <email address hidden>  Sat, 24 Dec 2022 21:14:52 -0400

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

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cctbx_2022.9+ds2+~3.11.2+ds1-5.dsc 3.1 KiB 9202e37bc57b20dbc6bd4cb65fb0b52328d6d25fa4b4fba2820c38d91a29c8f7
cctbx_2022.9+ds2+~3.11.2+ds1.orig-dxtbx.tar.xz 334.1 KiB 7b3d6b681b9806248f448c01a9f34c49506fcce1178360eb9d474bccbb0d2e91
cctbx_2022.9+ds2+~3.11.2+ds1.orig.tar.xz 21.5 MiB 406a624844f87f4405daf94b430e88beb2c9a3a642ad4ba8cf683a8ffa0418c4
cctbx_2022.9+ds2+~3.11.2+ds1-5.debian.tar.xz 407.8 KiB 41083b750c56b12e17386df52881d19bbc2033b7ad739b96670233506e0ce065

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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