Ubuntu
mdanalysis package

mdanalysis 2.7.0-1 source package in Ubuntu

Changelog

mdanalysis (2.7.0-1) unstable; urgency=medium

  [ Andreas Tille ]
  * New upstream version
    - supports Python 3.12. Closes: #1071800, #1061811.
  * Build-Depends: s/dh-python/dh-sequence-python3/ (routine-update)
  * Rules-Requires-Root: no (routine-update)
  * No tab in license text (routine-update)
  * Fix field name typo in debian/copyright (Comments ⇒ Comment).
  * Add upstream metadata

  [ Drew Parsons ]
  * Build-Depends: python3-mda-xdrlib
  * debian patch xdr_type_PR4408.patch applies upstream PR#4408
    to fix XDR types. See upstream Issue#4589.
  * remove generated timestep.cpp during clean. Closes: #1045215.
  * debian patchdoc_no_mdanalysis_sphinx.patch disables use of custom
    sphinx theme
  * Standards-Version: 4.7.0

 -- Drew Parsons <email address hidden>  Sun, 28 Jul 2024 16:38:17 +0200

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Medium Urgency

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File Size SHA-256 Checksum
mdanalysis_2.7.0-1.dsc 2.8 KiB 8cb6d6c6c44a29e0bbca94f867ad23699ad7d5c9c75dfff5f3cc5a87f4df8b88
mdanalysis_2.7.0.orig.tar.xz 44.8 MiB 52021a0476fd183eaa45e14cf8cba455beaadb25801fc16bd6dddadabc4b91cf
mdanalysis_2.7.0-1.debian.tar.xz 9.7 KiB ff729c4baf365b74e7995e9ff220f93b71b0a9735231ee68d052d7d4bc104f0d

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Binary packages built by this source

python-mdanalysis-doc: analyse molecular dynamics files and trajectories ( documentation)

 MDAnalysis is a Python library for the analysis of computer
 simulations of many-body systems at the molecular scale, spanning use
 cases from interactions of drugs with proteins to novel materials. It
 is widely used in the scientific community and is written by
 scientists for scientists.
 .
 MDAnalysis allows one to read particle-based trajectories (including
 individual coordinate frames such as biomolecules in the PDB format)
 and access the atomic coordinates through NumPy arrays. This provides
 a flexible and relatively fast framework for complex analysis tasks.
 In addition, powerful atom selection commands are implemented.
 Trajectories can also be manipulated (for instance, fit to a
 reference structure) and written out.
 .
 It works with a wide range of popular simulation packages including
 Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others
 — see the lists of supported trajectory formats and topology formats.
 MDAnalysis also includes widely used analysis algorithms in the
 MDAnalysis.analysis module.
 .
 The MDAnalysis project uses an open governance model and is fiscally
 sponsored by NumFOCUS.
 .
 This is the documentation package for MDAnalysis.

python3-mdanalysis: analyse molecular dynamics files and trajectories

 MDAnalysis is a Python library for the analysis of computer
 simulations of many-body systems at the molecular scale, spanning use
 cases from interactions of drugs with proteins to novel materials. It
 is widely used in the scientific community and is written by
 scientists for scientists.
 .
 MDAnalysis allows one to read particle-based trajectories (including
 individual coordinate frames such as biomolecules in the PDB format)
 and access the atomic coordinates through NumPy arrays. This provides
 a flexible and relatively fast framework for complex analysis tasks.
 In addition, powerful atom selection commands are implemented.
 Trajectories can also be manipulated (for instance, fit to a
 reference structure) and written out.
 .
 It works with a wide range of popular simulation packages including
 Gromacs, Amber, NAMD, CHARMM, DL_Poly, HooMD, LAMMPS and many others
 — see the lists of supported trajectory formats and topology formats.
 MDAnalysis also includes widely used analysis algorithms in the
 MDAnalysis.analysis module.
 .
 The MDAnalysis project uses an open governance model and is fiscally
 sponsored by NumFOCUS.
 .
 This package installs the library for Python 3.

python3-mdanalysis-dbgsym: debug symbols for python3-mdanalysis