Debian NEW package overview for pymatgen
pymatgen_2022.0.11+dfsg1-1_amd64.changes (click to toggle)
Format:1.8
Date:Mon, 23 Aug 2021 09:59:25 +0200
Source:pymatgen
Binary:python-pymatgen-doc python3-pymatgen python3-pymatgen-dbgsym
Architecture:source all amd64
Version:2022.0.11+dfsg1-1
Distribution:unstable
Urgency:medium
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By:Drew Parsons <dparsons@debian.org>
Description:
python-pymatgen-doc - Python Materials Genomics for materials analysis (documentation)
python3-pymatgen - Python Materials Genomics for materials analysis
Closes:962268
Changes:
pymatgen (2022.0.11+dfsg1-1) unstable; urgency=medium

  * New upstream release.
    - applies debian patches drop_feff_input_generation_f67cf7a.patch,
      skip_phonopy_tests.patch, test_filename_MoS.patch
    - docs no longer use badge-analysis.svg, badge-main.svg
    - docs use official ORCID-iD 32x32 logo (orcid.svg),
      licensed under Creative Commons CC0 1.0 Universal licence
  * Standards-Version: 4.6.0
  * use triple-slash for mathjax reference in docs
  * run build-time tests using pytest-3, with PMG_TEST_FILES_DIR
    pointing at toplevel test_files
  * update debian patch test_no_internet.patch to catch Exceptions
    (ConnectionError) if internet is not available
  * add debian patches
    - use_TEST_FILES_DIR.patch fixes tests to use TEST_FILES_DIR
    - install_data_files.patch installs missing data files
      (analysis/solar/am1.5G.dat, io/lammps/templates/md.txt)
    - skip_tests.patch skips tests (or code) that inappropriately
      triggers failures
  * image files in debian/images have been created by Drew Parsons
    using inkscape to serve in place of github image files for the
    purpose of preserving privacy in locally installed documentation
    Licenced under the MIT licence used for the rest of the debian dir
    (and the pymatgen project)
  * add debian/tests (autopkgtest)
  * run tests strictly with pytest-3. "python3.9 -m pytest" fails.
  * update debian patch test_no_internet.patch to test connection to
    aiida.materialscloud.org in test_optimade.py

pymatgen (2020.12.18+dfsg2-1) unstable; urgency=medium

  * Initial release (Closes: #962268)
  * copy test input files for running tests
  * add debian patches:
    - test_filename_MoS.patch identifies test file as
      MoS2_single.pdf not MOS2_single.pdf
    - skip_failing_WulffShapeTest.patch skips test_get_plotly to avoid
      index error in WulffShapeTest (test_wulff.py), see
      https://github.com/materialsproject/pymatgen/issues/2023
    - test_no_internet.patch skips tests requiring an internet
      connection (forbidden by Debian policy for privacy reasons)
    - skip_phonopy_tests.patch skips TestPhonopyFromForceConstants if
      phonopy is not present
    - test_h5py_byte_string.patch treats h5py string data as byte
      arrays (for h5py v3)
    - docs_no_local_python.patch removes local source dirs from python
      system path when building docs
    - drop_feff_input_generation_f67cf7a.patch applies upstream commit
      f67cf7a to drop the feff_input_generation executable script
    - run_test_local_path.patch accesses Vasp test file using full path
      to enable the test to be launched from other directories
    - test_lammps_regex_path.patch escapes '+' in path used to find
      lammps test files (e.g. with DFSG version "+dfsg2" in path)
  * man pages generated using help2man
  * remote image files used in docs have been predownloaded into
    debian/images and installed in html/_images to avoid privacy
    breaches in online documentation.
Files:
949da69604ac315910ae76a6a0d3b9f9 2905 python optional pymatgen_2022.0.11+dfsg1-1.dsc
96fb8dcb3160683a39b962f6cb058d82 192485212 python optional pymatgen_2022.0.11+dfsg1.orig.tar.xz
edcb3ae58f49bda82a90a99df1bd46ee 13248 python optional pymatgen_2022.0.11+dfsg1-1.debian.tar.xz
9bf497026da058c356e78a8c01f00b93 15045 python optional pymatgen_2022.0.11+dfsg1-1_amd64.buildinfo
4fa882b5f8412c2532daeaa7c8511749 3357800 doc optional python-pymatgen-doc_2022.0.11+dfsg1-1_all.deb
7bb1fcb7fd068d5bef7d54c73b971b33 933944 debug optional python3-pymatgen-dbgsym_2022.0.11+dfsg1-1_amd64.deb
60682d3965279b61222fe325f4ad5bb6 2001364 python optional python3-pymatgen_2022.0.11+dfsg1-1_amd64.deb
pymatgen_2022.0.11+dfsg1-1.dsc (click to toggle)
Format:3.0 (quilt)
Source:pymatgen
Binary:python3-pymatgen, python-pymatgen-doc
Architecture:any all
Version:2022.0.11+dfsg1-1
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders:Drew Parsons <dparsons@debian.org>
Homepage:https://pymatgen.org/
Standards-Version:4.6.0
Vcs-Browser:https://salsa.debian.org/debichem-team/pymatgen
Vcs-Git:https://salsa.debian.org/debichem-team/pymatgen.git
Testsuite:autopkgtest, autopkgtest-pkg-python
Testsuite-Triggers:@builddeps@
Build-Depends:debhelper-compat (=13), dh-python, python3-setuptools, python3-all-dev, python3-pytest, python3-numpy (>=1.19.2~), python3-sympy (>=1.6.2~), python3-requests (>=2.24.0~), python3-monty (>=4.0.2~), python3-ruamel.yaml (>=0.16.12~), python3-scipy (>=1.5.2~), python3-tabulate (>=0.8.7~), python3-matplotlib (>=3.3.2~), python3-palettable (>=3.3.0~), python3-spglib (>=1.16.0~), python3-pandas (>=1.1.3~), python3-networkx (>=2.5~), python3-plotly (>=4.10.0~), python3-bs4 (>=4.9.1~), python3-vtk9, python3-pybtex (>=0.22.2~), python3-tqdm (>=4.41.0~), python3-ase (>=3.19.0~), python3-netcdf4 (>=1.5.3~), python3-h5py (>=2.10.0~), python3-uncertainties (>=3.1.4~), libjs-mathjax, sphinx | python3-sphinx | sphinx-common | dh-sequence-sphinxdoc, python3-sphinx-rtd-theme
Package-List:python-pymatgen-doc deb doc optional arch=all python3-pymatgen deb python optional arch=any
Files:
96fb8dcb3160683a39b962f6cb058d82 192485212 pymatgen_2022.0.11+dfsg1.orig.tar.xz
edcb3ae58f49bda82a90a99df1bd46ee 13248 pymatgen_2022.0.11+dfsg1-1.debian.tar.xz
lintian 2.94.0~bpo10+1 check for pymatgen_2022.0.11+dfsg1-1.dsc (click to toggle)
README.source for pymatgen_2022.0.11+dfsg1-1.dsc (click to toggle)
pymatgen for Debian
------------------

debian/images
-------------

Remote image files used in docs have been predownloaded into
debian/images to avoid privacy breaches in online documentation.

Downloaded files are:

badge-coveralls     src="https://coveralls.io/repos/github/materialsproject/pymatgen/badge.svg?branch=master"
badge-analysis.svg  src="https://github.com/materialsproject/pymatgen/workflows/Testing%20-%20analysis/badge.svg"
badge-main.svg      src="https://github.com/materialsproject/pymatgen/workflows/Testing%20-%20main/badge.svg"
downloads.svg       src="https://anaconda.org/conda-forge/pymatgen/badges/downloads.svg"
mark-github.svg     src="https://cdnjs.cloudflare.com/ajax/libs/octicons/8.5.0/svg/mark-github.svg"

Reference to src="https://orcid.org/sites/default/files/images/orcid_32x32.png"
is removed (src="") since this png file does not actually exist.


 -- Drew Parsons <dparsons@debian.org>  Sat, 06 Jun 2020 19:23:30 +0800

control file for python-pymatgen-doc_2022.0.11+dfsg1-1_all.deb (click to toggle)
Package:python-pymatgen-doc
Source:pymatgen
Version:2022.0.11+dfsg1-1
Architecture:all
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:21348
Depends:libjs-mathjax, libjs-sphinxdoc (>=2.4.3-5~), sphinx-rtd-theme-common (>=0.5.1+dfsg)
Section:doc
Priority:optional
Homepage:https://pymatgen.org/
Description:
Python Materials Genomics for materials analysis (documentation)
 Pymatgen (Python Materials Genomics) is a robust, open-source Python
 library for materials analysis. These are some of the main features:
 .
 1.Highly flexible classes for the representation of Element, Site,
 Molecule, Structure objects.
 .
 2. Extensive input/output support, including support for VASP
 (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
 CIF, Gaussian, XYZ, and many other file formats.
 .
 3. Powerful analysis tools, including generation of phase diagrams,
 Pourbaix diagrams, diffusion analyses, reactions, etc.
 .
 4. Electronic structure analyses, such as density of states and band
 structure.
 .
 5. Integration with the Materials Project REST API, Crystallography
 Open Database.
 .
 This is the documentation package for pymatgen.
lintian 2.94.0~bpo10+1 check for python-pymatgen-doc_2022.0.11+dfsg1-1_all.deb (click to toggle)
contents of python-pymatgen-doc_2022.0.11+dfsg1-1_all.deb (click to toggle)
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drwxr-xr-x root/root         0 2021-08-23 07:59 ./usr/share/doc/
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control file for python3-pymatgen_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
Package:python3-pymatgen
Source:pymatgen
Version:2022.0.11+dfsg1-1
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:14828
Depends:python3 (<<3.10), python3 (>=3.9~), python3-matplotlib (>=3.3.2~), python3-monty (>=4.0.2~), python3-networkx (>=2.5~), python3-numpy (>=1.19.2~), python3-palettable (>=3.3.0~), python3-pandas (>=1.1.3~), python3-plotly (>=4.10.0~), python3-requests (>=2.24.0~), python3-ruamel.yaml (>=0.16.12~), python3-scipy (>=1.5.2~), python3-spglib (>=1.16.0~), python3-sympy (>=1.6.2~), python3-tabulate (>=0.8.7~), python3-uncertainties (>=3.1.4~), python3:any, libc6 (>=2.14)
Suggests:python-pymatgen-doc
Section:python
Priority:optional
Homepage:https://pymatgen.org/
Description:
Python Materials Genomics for materials analysis
 Pymatgen (Python Materials Genomics) is a robust, open-source Python
 library for materials analysis. These are some of the main features:
 .
 1.Highly flexible classes for the representation of Element, Site,
 Molecule, Structure objects.
 .
 2. Extensive input/output support, including support for VASP
 (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
 CIF, Gaussian, XYZ, and many other file formats.
 .
 3. Powerful analysis tools, including generation of phase diagrams,
 Pourbaix diagrams, diffusion analyses, reactions, etc.
 .
 4. Electronic structure analyses, such as density of states and band
 structure.
 .
 5. Integration with the Materials Project REST API, Crystallography
 Open Database.
 .
 This package provides the pymtgen module for Python 3.
lintian 2.94.0~bpo10+1 check for python3-pymatgen_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
contents of python3-pymatgen_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
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control file for python3-pymatgen-dbgsym_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
Package:python3-pymatgen-dbgsym
Source:pymatgen
Version:2022.0.11+dfsg1-1
Auto-Built-Package:debug-symbols
Architecture:amd64
Maintainer:Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size:1036
Depends:python3-pymatgen (=2022.0.11+dfsg1-1)
Section:debug
Priority:optional
Description:
debug symbols for python3-pymatgen
Build-Ids:466acf74477f05b7293f90fe3389e99f65c6a21e 7c2f7d925244c1828f726942d6c099331b95fd3f 9098b025306d487f60751942103374723a41dc36
lintian 2.94.0~bpo10+1 check for python3-pymatgen-dbgsym_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
contents of python3-pymatgen-dbgsym_2022.0.11+dfsg1-1_amd64.deb (click to toggle)
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lrwxrwxrwx root/root         0 2021-08-23 07:59 ./usr/share/doc/python3-pymatgen-dbgsym -> python3-pymatgen

Timestamp: 23.08.2021 / 11:01:17 (UTC)