Debian NEW package overview for mdanalysis
mdanalysis_2.0.0+dfsg1-1_amd64.changes (click to toggle)
Format:1.8
Date:Fri, 03 Sep 2021 03:12:37 +0200
Source:mdanalysis
Binary:python3-mdanalysis python3-mdanalysis-dbgsym
Architecture:source amd64
Version:2.0.0+dfsg1-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Drew Parsons <dparsons@debian.org>
Description:
python3-mdanalysis - analyse molecular dynamics files and trajectories
Closes:962440
Changes:
mdanalysis (2.0.0+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - Build-Depends:
       python3-h5py,
       python3-numpy (>= 1.16.0~),
       python3-netcdf4 (>= 1.0~),
       python3-seaborn,
       python3-sklearn,
       python3-threadpoolctl
    - applies debian patch fix_matplotlib_PR2763.patch
  * Standards-Version: 4.6.0
  * add detailed copyright entries (GPL-2 and GPL-3) to
    debian/copyright, identified by :Copyright: tag in files.
    CODE_OF_CONDUCT.md is CCA-3.0.
  * debian/rules override_dh_clean: remove .c cython files
  * run tests with MPLBACKEND=agg to avoid Xserver (Xvfb) errors
  * Note that logo files are not used in source (+dfsg) since they are
    non-free (not free to alter and redistribute alterations)

mdanalysis (1.0.0+dfsg1-2) unstable; urgency=medium

  * Build-Depends: python3-all-dev (needs Python.h), cython3
    python3-hypothesis, python3-sklearn (debian/tests also)
  * python3-mdanalysis Depends: python3-duecredit,
    Recommends: python3-sklearn
  * use testsuite for build-time tests with pytest
    (over all python versions)

mdanalysis (1.0.0+dfsg1-1) unstable; urgency=medium

  * Initial release (Closes: #962440)
  * debian/rules: pybuild source dir PYBUILD_DIR=package
  * Build-Depends:
      python3-numpy (>=1.13.3),
      python3-biopython (>= 1.71),
      python3-networkx (>= 1.0),
      python3-griddataformats (>= 0.4.0),
      python3-six (>= 1.4.0),
      python3-mmtf (>= 1.0.0),
      python3-joblib,
      python3-scipy (>= 1.0.0),
      python3-matplotlib (>= 1.5.1),
      python3-mock,
      python3-gsd (>= 1.4.0)
  * Build-Depends: tox, python3-duecredit (to run build-time tests)
  * debian patches:
    - docs_use_built_module.patch stops doc build from using
      raw (unbuilt) source to build docs. Set PYTHONPATH to .pybuild dir.
    - fix_matplotlib_PR2763.patch applies upstream PR2763 to fix
      matplotlib API.
  * But docs are not built yet pending packaging of
    python3-sphinx-sitemap (see RFP#970811).
Files:
7253b370a8dcdf6327c22ae8114f4277 2617 python optional mdanalysis_2.0.0+dfsg1-1.dsc
4b330c6d8380ec01e883dfb9bf2761f7 44055092 python optional mdanalysis_2.0.0+dfsg1.orig.tar.xz
59f7de0b5eb0c9443add7d67503480d5 6644 python optional mdanalysis_2.0.0+dfsg1-1.debian.tar.xz
0bf3db08f8f1018f2065f29eb81c5886 10653 python optional mdanalysis_2.0.0+dfsg1-1_amd64.buildinfo
51d97e82d204a4418111fc7a0143ee9d 3566852 debug optional python3-mdanalysis-dbgsym_2.0.0+dfsg1-1_amd64.deb
ed60b03487f2e1c1fca483363c496c03 1125200 python optional python3-mdanalysis_2.0.0+dfsg1-1_amd64.deb
mdanalysis_2.0.0+dfsg1-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:mdanalysis
Binary:python3-mdanalysis
Architecture:any
Version:2.0.0+dfsg1-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Drew Parsons <dparsons@debian.org>
Homepage:https://www.mdanalysis.org/
Standards-Version:4.6.0
Vcs-Browser:https://salsa.debian.org/debichem-team/mdanalysis
Vcs-Git:https://salsa.debian.org/debichem-team/mdanalysis.git
Testsuite:autopkgtest
Testsuite-Triggers:@builddeps@, python3-hypothesis, python3-pytest, python3-sklearn
Build-Depends:debhelper-compat (=13), cython3, dh-python, python3-all-dev, python3-setuptools, python3-numpy (>=1.16.0~), python3-biopython (>=1.71), python3-networkx (>=1.0), python3-griddataformats (>=0.4.0), python3-six (>=1.4.0), python3-mmtf (>=1.0.0), python3-joblib (>=0.12), python3-scipy (>=1.0.0), python3-matplotlib (>=1.5.1), python3-mock, python3-netcdf4 (>=1.0~), python3-tqdm (>=4.43.0), python3-gsd (>=1.4.0), python3-duecredit, python3-h5py, python3-hypothesis, python3-pytest, python3-seaborn, python3-sklearn, python3-threadpoolctl
Package-List:python3-mdanalysis deb python optional arch=any
Files:
4b330c6d8380ec01e883dfb9bf2761f7 44055092 mdanalysis_2.0.0+dfsg1.orig.tar.xz
59f7de0b5eb0c9443add7d67503480d5 6644 mdanalysis_2.0.0+dfsg1-1.debian.tar.xz
lintian 2.94.0~bpo10+1 check for mdanalysis_2.0.0+dfsg1-1.dsc (click to toggle)
README.source for mdanalysis_2.0.0+dfsg1-1.dsc (click to toggle)
No README.source in this package
control file for python3-mdanalysis_2.0.0+dfsg1-1_amd64.deb (click to toggle)
Package:python3-mdanalysis
Source:mdanalysis
Version:2.0.0+dfsg1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:5598
Depends:python3-duecredit, python3 (<<3.10), python3 (>=3.9~), python3-biopython (>=1.71), python3-griddataformats (>=0.4.0), python3-gsd (>=1.4.0), python3-joblib (>=0.12), python3-matplotlib (>=1.5.1), python3-mmtf (>=1.0.0), python3-networkx (>=1.0), python3-numpy (>=1.16.0~), python3-scipy (>=1.0.0), python3-tqdm (>=4.43.0), python3:any, libc6 (>=2.14), libgcc-s1 (>=3.0), libgomp1 (>=4.9), libstdc++6 (>=5.2)
Recommends:python3-sklearn
Suggests:python-mdanalysis-doc
Section:python
Priority:optional
Homepage:https://www.mdanalysis.org/
Description:
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.
lintian 2.94.0~bpo10+1 check for python3-mdanalysis_2.0.0+dfsg1-1_amd64.deb (click to toggle)
contents of python3-mdanalysis_2.0.0+dfsg1-1_amd64.deb (click to toggle)
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control file for python3-mdanalysis-dbgsym_2.0.0+dfsg1-1_amd64.deb (click to toggle)
Package:python3-mdanalysis-dbgsym
Source:mdanalysis
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Auto-Built-Package:debug-symbols
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lintian 2.94.0~bpo10+1 check for python3-mdanalysis-dbgsym_2.0.0+dfsg1-1_amd64.deb (click to toggle)
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lrwxrwxrwx root/root         0 2021-09-03 01:12 ./usr/share/doc/python3-mdanalysis-dbgsym -> python3-mdanalysis

Timestamp: 03.09.2021 / 03:01:06 (UTC)