Review: pymatgen-core 2026.4.7+dfsg1-3
Package Information
| 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 pymatgen-core module for Python 3, containing core functionality used by pymatgen. |
|---|---|
| Maintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Changed By | Drew Parsons <dparsons@debian.org> |
| Sponsor | dparsons@debian.org |
| Distribution | unstable |
| Architecture | any |
| VCS | git: https://salsa.debian.org/debichem-team/pymatgen-core.git (browse) |
| Binary NEW | Yes (binary-only upload) |
| Tracker | https://tracker.debian.org/pkg/pymatgen-core |
| Uploaded | 16 days ago |
New Package Report
.changes
| Changed-By | Drew Parsons |
|---|---|
| Architecture | source amd64 |
| Distribution | unstable |
| Date | Sat, 23 May 2026 16:18:59 +0200 |
| Source | pymatgen-core |
| Version | 2026.4.7+dfsg1-3 |
Changelog
pymatgen-core (2026.4.7+dfsg1-3) unstable; urgency=medium
.
* add missing copyright entries
- src/pymatgen/util/due.py Yaroslav Halchenko,
Matteo Visconti di Oleggio Castello, DueCredit, BSD-2
- docs/_modules/abc.html, Python Software Foundation,
Google, Inc., PSFLv2
- dos.py (electronic_structure, phonon)
Florian Knoop, Thomas A.R.Purcell, Matthias Scheffler,
Christian Carbogno, MIT
- Free Software Foundation mentioned in symm_ops.yaml is the
author of the GPL, not this code
- docs from MIT & LBNL, Materials Project and Pymatgen
Development Team: these are the authors (copyright holders) of
this very same project, already listed under the default MIT
licence.dsc
| Section | python |
|---|---|
| Priority | optional |
| Component | main |
| Package-List | python3-pymatgen-core deb python optional arch=any |
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Upstream-Name: pymatgen-core
Upstream-Contact: Shyue Ping Ong <ongsp@eng.ucsd.edu>
Source: https://github.com/materialsproject/pymatgen-core
Files-Excluded: test-files
Files: *
Copyright: 2011-2020 Shyue Ping Ong <ongsp@eng.ucsd.edu>
and the Pymatgen Development Team, Materials Project
2011-2012 MIT & The Regents of the University of California,
through Lawrence Berkeley National Laboratory
License: MIT
Files: src/pymatgen/util/due.py
Copyright: 2015 Yaroslav Halchenko, Matteo Visconti di Oleggio Castello
2015-2021 DueCredit developers,
License: BSD-2-clause
Comment:
Originally a part of the duecredit,
https://github.com/duecredit/duecredit
Files: docs/_modules/abc.html
Copyright: 2007 Python Software Foundation,
Google, Inc., Guido van Rossum, Georg Brandl
2011, Pymatgen Development Team
License: PSFLv2
Comment:
Originates from
https://peps.python.org/pep-3119/
https://github.com/python/cpython/blob/main/Doc/library/abc.rst
Files: src/pymatgen/electronic_structure/dos.py
src/pymatgen/phonon/dos.py
Copyright: 2020 Florian Knoop, Thomas A.R.Purcell,
Matthias Scheffler, Christian Carbogno,
2020 Pymatgen Development Team
License: MIT
Comment:
Based on the work of:
F. Knoop, T. A. r Purcell, M. Scheffler, C. Carbogno, J. Open Source Softw. 2020, 5, 2671.
Source - https://gitlab.com/vibes-developers/vibes/-/tree/master/vibes/materials_fp
.
Please also see and cite related work by:
M. Kuban, S. Rigamonti, C. Draxl, Digital Discovery 2024, 3, 2448.
Files: docs/assets/orcid.svg
Copyright: 2017-2021 Alainna Therese Wrigley,
Alice Meadows, Laurel Haak
Comment:
Originally from https://doi.org/10.23640/07243.5008697.v4
(https://orcid.figshare.com/articles/figure/ORCID_iD_icon_graphics/5008697)
License: CC0_1.0
Files: docs/assets/team-map.html
Copyright: 2012-2021, Plotly, Inc.,
Feross Aboukhadijeh <feross@feross.org>,
2014 Yehuda Katz, Tom Dale, Stefan Penner and contributors
(Conversion to ES6 API by Jake Archibald),
Sindre Sorhus,
2014-2015, Jon Schlinkert,
2016 Sean Connelly (@voidqk)
Comment:
plotly.js v1.57.1 Copyright 2012-2020, Plotly, Inc.
.
buffer module from node.js, for the browser, Feross Aboukhadijeh
<feross@feross.org> <http://feross.org>
.
es6-promise - a tiny implementation of Promises/A+.
Copyright (c) 2014 Yehuda Katz, Tom Dale, Stefan Penner and
contributors (Conversion to ES6 API by Jake Archibald). See
https://raw.githubusercontent.com/stefanpenner/es6-promise/master/LICENSE
version v4.2.8+1e68dce6
.
object-assign (c) Sindre Sorhus
.
pad-left <https://github.com/jonschlinkert/pad-left>
(c) 2014-2015, Jon Schlinkert.
.
2016 Sean Connelly (@voidqk), http://syntheti.cc
Project Home: https://github.com/voidqk/polybooljs
.
License: MIT
Files: docs/proBlue/*
Copyright: 2010, Kasey Kelly, Issac Kelly
License: problue
Files: src/pymatgen/symmetry/symm_ops.yaml
Copyright: AiiDA Developers
License: GPL-2
This file is distributed under the GNU GPL v2 license.
The text of GPLv2 may be found at
/usr/share/common-licenses/GPL-2
Comments:
This file has been modified from cod-tools
(https://aiida-core.readthedocs.io/en/latest/plugins/codtools/),
which is distributed under the GNU GPL v2 license. The main
modifications are with respect to conversion to a YAML format and
removal of the constraints key.
Files: src/pymatgen/util/graph_hashing.py
tests/util/test_graph_hashing.py
Copyright: 2004-2022, NetworkX Developers
Aric Hagberg <hagberg@lanl.gov>
Dan Schult <dschult@colgate.edu>
Pieter Swart <swart@lanl.gov>
License: BSD-3-clause
Files: tests/core/elasticity/test_elastic.py
Copyright: 2011-2026 Shyue Ping Ong <ongsp@eng.ucsd.edu>
and the Pymatgen Development Team.
2001-2002 Enthought, Inc. 2003-2024, SciPy Developers (central_diff_weights)
License: MIT+BSD3
central_diff_weights() in test_get_diff_coeff() is taken from scipy,
licensed under the BSD 3-Clause license (BSD-3-clause)
2001-2002 Enthought, Inc. 2003-2024, SciPy Developers
.
The remaining code follows the common licence of the pymatgen-core
package.
Files: debian/*
Copyright: 2026 Drew Parsons <dparsons@debian.org>
License: MIT
License: MIT
Permission is hereby granted, free of charge, to any person obtaining
a copy of this software and associated documentation files (the
"Software"), to deal in the Software without restriction, including
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The above copyright notice and this permission notice shall be
included in all copies or substantial portions of the Software.
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THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS
BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN
ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN
CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
License: BSD-2-clause
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions
are met:
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1. Redistributions of source code must retain the above copyright notice,
this list of conditions and the following disclaimer.
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2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT,
INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS
OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED
AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY
WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
POSSIBILITY OF SUCH DAMAGE.
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The views and conclusions contained in the software and documentation
are those of the authors and should not be interpreted as
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copyright holder.
License: BSD-3-clause
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions
are met:
.
* Redistributions of source code must retain the above copyright
notice, this list of conditions and the following disclaimer.
.
* Redistributions in binary form must reproduce the above
copyright notice, this list of conditions and the following
disclaimer in the documentation and/or other materials provided
with the distribution.
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* Neither the name of the NetworkX Developers nor the names of its
contributors may be used to endorse or promote products derived
from this software without specific prior written permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
License: problue
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions
are met:
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Redistributions of source code must retain the above copyright
notice, this list of conditions and the following disclaimer.
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Redistributions in binary form must reproduce the above copyright
notice, this list of conditions and the following disclaimer in the
documentation and/or other materials provided with the distribution.
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Neither the name "Kelly Creative Tech" nor the names of its
contributors may be used to endorse or promote products derived from
this software without specific prior written permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT,
INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING,
BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS
OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED
AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY
WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
POSSIBILITY OF SUCH DAMAGE.
License: CC0_1.0
CC0 1.0 Universal (CC0 1.0)
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Public Domain Dedication
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This is a human-readable summary of the Legal Code.
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No Copyright
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The person who associated a work with this deed has dedicated the
work to the public domain by waiving all of his or her rights to the
work worldwide under copyright law, including all related and
neighboring rights, to the extent allowed by law.
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You can copy, modify, distribute and perform the work, even for
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License: PSFLv2
PYTHON SOFTWARE FOUNDATION LICENSE VERSION 2
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1. This LICENSE AGREEMENT is between the Python Software Foundation
("PSF"), and the Individual or Organization ("Licensee") accessing and
otherwise using this software ("Python") in source or binary form and
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grants Licensee a nonexclusive, royalty-free, world-wide license to reproduce,
analyze, test, perform and/or display publicly, prepare derivative works,
distribute, and otherwise use Python alone or in any derivative version,
provided, however, that PSF's License Agreement and PSF's notice of copyright,
i.e., "Copyright (c) 2001 Python Software Foundation; All Rights Reserved"
are retained in Python alone or in any derivative version prepared by Licensee.
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3. In the event Licensee prepares a derivative work that is based on
or incorporates Python or any part thereof, and wants to make
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Licensee hereby agrees to include in any such work a brief summary of
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DISCLAIMS ANY REPRESENTATION OR WARRANTY OF MERCHANTABILITY OR FITNESS
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Review Information
accepted — allocated to mechtilde 16 days ago, started 16 days ago, completed 16 days ago.
Final Comment
Other Reviews of this Package
| Version | Hash | Allocated | Completed | Reviewer | Status | Details |
|---|---|---|---|---|---|---|
| 2026.4.7+dfsg1-2 | 73b4b199… | 2026-05-22 16:36 | 2026-05-22 16:45 | mechtilde | rejected | VIEW |
| 2026.4.7+dfsg1-1 | 48895c03… | 2026-04-18 17:26 | 2026-04-18 17:31 | mechtilde | accepted | VIEW |
Public Notes
Load licenses database
Command: dnq license-check -prepare
Exit code: 0
License check [main]:
Found 8 unique license identifier(s) in debian/copyright:
COMPATIBLE (5):
BSD-2-clause
BSD-3-clause
CC0 [CC0 1.0 Universal]
GPL-2
MIT
UNKNOWN (not in DFSG license database):
MIT+ (manually verify DFSG compatibility)
PSFLv2 (manually verify DFSG compatibility)
problue (manually verify DFSG compatibility)
Result: ATTENTION REQUIRED
- 3 unrecognized license(s) require manual review