Review: pymatgen-core-test-files 2026.4.7-1
New Package Report
.changes
| Changed-By | Drew Parsons |
|---|---|
| Architecture | source all |
| Distribution | unstable |
| Date | Wed, 15 Apr 2026 00:52:12 +0200 |
| Source | pymatgen-core-test-files |
| Version | 2026.4.7-1 |
Changelog
pymatgen-core-test-files (2026.4.7-1) unstable; urgency=medium
.
* initial debianisation. Supports pymatgen-core (ITP#1132990)
by separating out test files from upstream source.dsc
| Section | python |
|---|---|
| Priority | optional |
| Component | main |
| Package-List | pymatgen-core-test-files deb python optional arch=all |
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Upstream-Name: pymatgen
Upstream-Contact: Shyue Ping Ong <ongsp@eng.ucsd.edu>
Source: https://github.com/materialsproject/pymatgen-core
Files-Excluded: test-files/cif/PF_sd*.cif
dev_scripts
docs
src/pymatgen
tasks.py
pyproject.toml
requirements*txt
setup.py
uv.lock
Files: *
Copyright: 2011-2026 Shyue Ping Ong <ongsp@eng.ucsd.edu>
and the Pymatgen Development Team.
2011-2012 MIT & The Regents of the University of California, through Lawrence Berkeley National Laboratory
2026 Materialyze.AI
License: MIT
Files: test-files/cif/C26H16BeN2O2S2.cif
Copyright: 2005 Yi-Ping Tong, Shao-Liang Zheng, Xiao-Ming Chen
License: COD-CC0
Comment:
This file is available in the Crystallography Open Database (COD),
http://www.crystallography.net/. The original data for this entry
were provided the Crystal Eye server at
http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
Peter Murray-Rust laboratory.
.
The file may be used within the scientific community so long as
proper attribution is given to the journal article from which the
data were obtained:
.
Syntheses, Structures, Photoluminescence, and Theoretical Studies of
a Class of Beryllium(II) Compounds of Aromatic N,O-Chelate Ligands
Yi-Ping Tong, Shao-Liang Zheng, and Xiao-Ming Chen
Inorganic Chemistry 2005 44 (12), 4270-4275
DOI: 10.1021/ic0501059
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
without limitation the rights to use, copy, modify, merge, publish,
distribute, sublicense, and/or sell copies of the Software, and to
permit persons to whom the Software is furnished to do so, subject to
the following conditions:
.
The above copyright notice and this permission notice shall be
included in all copies or substantial portions of the Software.
.
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: COD-CC0
This file is available in the Crystallography Open Database (COD),
http://www.crystallography.net/. The original data for this entry
were provided the Crystal Eye server at
http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
Peter Murray-Rust laboratory.
.
The file may be used within the scientific community so long as
proper attribution is given to the journal article from which the
data were obtained.
.
Creative Commons CC0 1.0 Universal
.
Statement of Purpose
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Review Information
rejected — allocated to eamanu 15 days ago, started 15 days ago, completed 13 days ago.
Final Comment
Thanks for your contributions to Debian! I leave some comments:
- Please consider the copyright note in central_diff_weights in
tests/core/elasticity/test_elastic.py file - tests/util/test_graph_hashing.py Seems to be BSD-3-Clause.
- Please, consider use Expat license instead of MIT license.
- d/copyright excluded files/folder but the source version has no repack suffix.
- Please mention test-files/cif/Cu7Te5.cif copyright
- Please mention test-files/io/abinit/* copyright
- Seems test-files/io/qchem/new_qchem_files/* copright should be mentioned.
Public Notes
13 days ago
● public
debian/copyright check
Command: cme check dpkg-copyright
Exit code: 0
Warning in 'Files:"*" License short_name': value is "MIT". There are many versions of the MIT license. Please use Expat instead, when it matches. See L<Debian copyright format|https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/#license-specification> and L<wikipedia|https://en.wikipedia.org/wiki/MIT_License#Various_versions>for details.
Offending value: 'MIT'
Warning in 'Files:"debian/*" License short_name': value is "MIT". There are many versions of the MIT license. Please use Expat instead, when it matches. See L<Debian copyright format|https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/#license-specification> and L<wikipedia|https://en.wikipedia.org/wiki/MIT_License#Various_versions>for details.
Offending value: 'MIT'
you can try 'cme fix dpkg-copyright' to fix the warnings shown above
13 days ago
● public
licenserecon
Command: licenserecon
Exit code: 3
en: Versions: licenserecon '14.0' licensecheck '3.3.9-1'
Parsing Source Tree ....
Reading d/copyright ....
Running licensecheck ....
d/copyright | licensecheck
MIT | public-domain test-files/cif/cif_implicit_hydrogens_cod_1011130.cif
MIT | public-domain test-files/cif/Cod_4115344.cif
MIT | public-domain test-files/cif/CsI3Pb.cif
MIT | public-domain test-files/cif/P24Ru4H252C296S24N16.cif
MIT | GPL-3 test-files/command_line/critic2/MoS2_critic2_stdout_new_format.txt
MIT | GPL-3 test-files/command_line/critic2/MoS2_critic2_stdout.txt
MIT | ECL-2.0 test-files/io/nwchem/anthrachinon_wfs_15_carboxyl.nwout
MIT | ECL-2.0 test-files/io/nwchem/anthrachinon_wfs_16_ethyl.nwout
MIT | ECL-2.0 test-files/io/nwchem/C1N1Cl1_1.nwout
MIT | ECL-2.0 test-files/io/nwchem/CH3CH2O.nwout
MIT | ECL-2.0 test-files/io/nwchem/CH4.nwout
MIT | ECL-2.0 test-files/io/nwchem/H4C3O3_1.nwout
MIT | ECL-2.0 test-files/io/nwchem/N2O4.nwout
MIT | ECL-2.0 test-files/io/nwchem/phen_tddft.log
MIT | BSD-3-clause tests/core/elasticity/test_elastic.py
MIT | BSD-3-clause tests/util/test_graph_hashing.py
13 days ago
● public
Look for SPDX
Command: grep -r -B1 'SPDX-'
Exit code: 1
(no output)
13 days ago
● public
Lintian
Command: lintian -i -I -v --pedantic
Exit code: 0
N:
W: pymatgen-core-test-files: broken-gz [usr/share/doc/pymatgen-core-test-files/examples/test-files/electronic_structure/cohp/lobsterin.4.gz]
N:
N: The given file ends with .gz, which normally indicates it was compressed
N: with gzip. However, it doesn't seem to be a gzip-compressed file.
N:
N: Visibility: warning
N: Show-Always: no
N: Check: files/compressed/gz
N:
N:
W: pymatgen-core-test-files: initial-upload-closes-no-bugs [usr/share/doc/pymatgen-core-test-files/changelog.Debian.gz:1]
N:
N: This package appears to be the first packaging of a new upstream software
N: package (there is only one changelog entry and the Debian revision is 1),
N: but it does not close any bugs. The initial upload of a new package should
N: close the corresponding ITP bug for that package.
N:
N: This warning can be ignored if the package is not intended for Debian or
N: if it is a split of an existing Debian package.
N:
N: Please refer to New packages (Section 5.1) in the Debian Developer's
N: Reference for details.
N:
N: Visibility: warning
N: Show-Always: no
N: Check: debian/changelog
N: Renamed from: new-package-should-close-itp-bug
N:
N:
I: pymatgen-core-test-files: compressed-duplicate [usr/share/doc/pymatgen-core-test-files/examples/test-files/electronic_structure/cohp/ICOHPLIST.lobster.gz]
N:
N: The given, apparently compressed, file is shipped in the package in
N: addition to another file with the same name without the compression-method
N: extension. Normally this indicates a mistake in the installation process
N: of the package.
N:
N: Visibility: info
N: Show-Always: no
N: Check: files/compressed
N: Renamed from: duplicated-compressed-file
N:
N:
I: pymatgen-core-test-files: compressed-duplicate [usr/share/doc/pymatgen-core-test-files/examples/test-files/electronic_structure/cohp/NcICOBILIST.lobster.gz]
N:
I: pymatgen-core-test-files source: repackaged-source-not-advertised [debian/copyright]
N:
N: The debian/copyright file mentions Files-Excluded but the source version
N: has no repack suffix.
N:
N: Repackaged sources are expected to indicate in their version number that
N: they are different from the upstream release. It is commonly done by
N: adding a repack suffix to the upstream version.
N:
N: The choice of repack suffix depends on the reason for repackaging. When
N: some files were excluded because licensing was a concern, the suffix +dfsg
N: may be appropriate. In more generic cases, one could chose +ds.
N:
N: Upstream sources are sometimes repackaged by accident when using old
N: versions of dh_make. It can also happen when a maintainer invokes the
N: dh_make option --createorig even though it is not needed.
N:
N: According to the Debian Developer's Reference 6.7.8.2, the repack suffix
N: is not required.
N:
N: Please include such a suffix in the changelog version number to avoid this
N: warning.
N:
N: Please refer to Bug#471537 and
N: https://www.debian.org/doc/manuals/developers-reference/best-pkging-practices.html
N: for details.
N:
N: Visibility: info
N: Show-Always: no
N: Check: debian/copyright/dep5
N:
N:
P: pymatgen-core-test-files source: redundant-priority-optional-field [debian/control:3]
N:
N: This package currently sets the Priority field in the debian/control file
N: to "optional".
N:
N: As of dpkg version 1.22.13, this field is set to "optional" by default. As
N: such, in this case the Priority field is redundant and should be removed.
N:
N: Visibility: pedantic
N: Show-Always: no
N: Check: debian/control/field/priority
N:
N:
P: pymatgen-core-test-files source: upstream-metadata-file-is-missing
N:
N: This source package is not Debian-native but it does not have a
N: debian/upstream/metadata file.
N:
N: The Upstream MEtadata GAthered with YAml (UMEGAYA) project is an effort to
N: collect meta-information about upstream projects from any source package.
N: This file is in YAML format and it is used in to feed the data in the
N: UltimateDebianDatabase. For example, it can contains the way the authors
N: want their software be cited in publications and some bibliographic
N: references about the software.
N:
N: Please add a debian/upstream/metadata file.
N:
N: Please refer to https://dep-team.pages.debian.net/deps/dep12/ and
N: https://wiki.debian.org/UpstreamMetadata for details.
N:
N: Visibility: pedantic
N: Show-Always: no
N: Check: debian/upstream/metadata
N:
13 days ago
● public
duck
Command: duck
Exit code: 0
I: debian/copyright:71: URL: http://wwmm.ch.cam.ac.uk/crystaleye/: INFORMATION (Certainty:wild-guess)
Curl:0 HTTP:404 No error
Website seems to be outdated, is probably a parked domain or for sale. Please update your links!
Matching regular expression(s):
m/\bhas been retired\b/i
m/\bhomepage is at\b/i
I: debian/copyright:29: URL: http://wwmm.ch.cam.ac.uk/crystaleye/: INFORMATION (Certainty:wild-guess)
Curl:0 HTTP:404 No error
Website seems to be outdated, is probably a parked domain or for sale. Please update your links!
Matching regular expression(s):
m/\bhas been retired\b/i
m/\bhomepage is at\b/i
I: debian/copyright:69: URL: http://www.crystallography.net/: INFORMATION (Certainty:possible)
The web page at http://www.crystallography.net/ works, but is also available via https://www.crystallography.net/, please consider switching to HTTPS urls.
13 days ago
● public
look for copyright
Command: egrep -R -i copyright
Exit code: 0
tests/io/test_xr.py:__copyright__ = "Copyright 2016, The Materials Project"
tests/io/test_cssr.py:__copyright__ = "Copyright 2012, The Materials Project"
tests/io/test_zeopp.py:__copyright__ = "Copyright 2013, The Materials Project"
tests/io/xtb/test_inputs.py:__copyright__ = "Copyright 2020, The Materials Project"
tests/io/xtb/test_outputs.py:__copyright__ = "Copyright 2020, The Materials Project"
tests/io/lobster/test_inputs.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/io/lobster/future/test_inputs.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/io/lobster/future/test_outputs.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/io/lobster/test_outputs.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/io/exciting/test_inputs.py:__copyright__ = "Copyright 2016"
tests/io/qchem/test_inputs.py:__copyright__ = "Copyright 2018-2022, The Materials Project"
tests/io/qchem/test_utils.py:__copyright__ = "Copyright 2018-2022, The Materials Project"
tests/io/qchem/test_sets.py:__copyright__ = "Copyright 2018-2022, The Materials Project"
tests/io/qchem/test_outputs.py:__copyright__ = "Copyright 2018-2022, The Materials Project"
tests/io/test_lmto.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/io/vasp/test_optics.py:__copyright__ = "Copyright 2022, The Materials Project"
tests/util/test_provenance.py:__copyright__ = "Copyright 2012, The Materials Project"
tests/util/test_graph_hashing.py:Copyright (C) 2004-2022, NetworkX Developers
tests/util/test_graph_hashing.py: * Redistributions of source code must retain the above copyright
tests/util/test_graph_hashing.py: copyright notice, this list of conditions and the following
tests/util/test_graph_hashing.py:THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
tests/util/test_graph_hashing.py:A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
tests/symmetry/test_groups.py:__copyright__ = "Copyright 2012, The Materials Virtual Lab"
tests/symmetry/test_settings.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/symmetry/test_maggroups.py:__copyright__ = "Copyright 2017, The Materials Project"
tests/core/test_bonds.py:__copyright__ = "Copyright 2012, The Materials Project"
tests/core/elasticity/test_elastic.py: Copyright (c) 2001-2002 Enthought, Inc. 2003-2024, SciPy Developers.
LICENSE:Copyright (c) 2011-2012 MIT & The Regents of the University of California,
LICENSE:The above copyright notice and this permission notice shall be included in all
LICENSE:COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER
test-files/electronic_structure/cohp/lobsterout.normal:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout_from_projection:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.fatband_grosspop_densityofenergy:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.GaAs:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout_doscar_lso:Copyright (C) 2021 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.twospins:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.skip_cobi_madelung:Copyright (C) 2021 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.saveprojection:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.onethread:Copyright (C) 2019 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout.skipping_all:Copyright (C) 2018 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/electronic_structure/cohp/lobsterout_cobi_madelung:Copyright (C) 2021 by Chair of Solid-State and Quantum Chemistry, RWTH Aachen.
test-files/io/cp2k/cp2k.out: ** Copyright (C) by CP2K developers group (2000-2022) **
test-files/io/gaussian/acene-n_gaussian09_opt.out: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/acene-n_gaussian09_opt.out: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/acene-n_gaussian09_opt.out: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/methane.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc.
test-files/io/gaussian/methane.log: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/methane.log: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/methane.log: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/methane.log: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/methane.log: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/methane.log: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/methane.log: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/CH2O_CO2.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/CH2O_CO2.log: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/CH2O_CO2.log: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/CH2O_CO2.log: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/CH2O_CO2.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/so2_td.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/so2_td.log: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/so2_td.log: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/so2_td.log: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/so2_scan_opt.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/so2_scan_opt.log: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/so2_scan_opt.log: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/so2_scan_opt.log: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/H2O_gau_vib.out: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau_vib.out: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/H2O_gau_vib.out: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/H2O_scan_G16.out: Copyright (c) 1988-2017, Gaussian, Inc. All Rights Reserved.
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/H2O_scan_G16.out: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/H2O_scan_G16.out: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/H2O_gau.out: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/H2O_gau.out: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/H2O_gau.out: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/H2O_gau.out: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/so2_scan.log: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013,
test-files/io/gaussian/so2_scan.log: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/so2_scan.log: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/so2_scan.log: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/gaussian/l-cysteine.out: Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2015,
test-files/io/gaussian/l-cysteine.out: the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
test-files/io/gaussian/l-cysteine.out: the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
test-files/io/gaussian/l-cysteine.out: University), and the Gaussian 82(TM) system (copyright 1983,
test-files/io/nwchem/anthrachinon_wfs_16_ethyl.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/anthrachinon_wfs_15_carboxyl.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/CH3CH2O.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/H4C3O3_1.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/N2O4.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/CH4.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/C1N1Cl1_1.nwout: Copyright (c) 1994-2012
test-files/io/nwchem/phen_tddft.log: Copyright (c) 1994-2014
test-files/io/qchem/crowd_nbo_charges.qcout: (c) Copyright 1996-2002 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo5_1.qout: (c) Copyright 1996-2002 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo7_3.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/os_gap.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo7_inf.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo7_2.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo7_1.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/3C.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/nbo.qout: (c) Copyright 1996-2002 Board of Regents of the University of Wisconsin System
test-files/io/qchem/new_qchem_files/hyper.qout: (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System
test-files/io/qchem/quinoxaline_anion.qcout: (c) Copyright 1996-2002 Board of Regents of the University of Wisconsin System
test-files/io/qchem/tfsi_nbo.qcout: (c) Copyright 1996-2002 Board of Regents of the University of Wisconsin System
test-files/io/abinit/mgb2_nscf.log:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/mgb2_nscf.log: Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
test-files/io/abinit/mgb2_scf.abo:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/mgb2_scf.abo: Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
test-files/io/abinit/si_scf_v10.2.7.abo:.Copyright (C) 1998-2025 ABINIT group .
test-files/io/abinit/mgb2_scf.log:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/mgb2_scf.log: Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
test-files/io/abinit/mgb2_nscf.abo:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/mgb2_nscf.abo: Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
test-files/io/abinit/badyaml.log:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/sic_relax.abo:.Copyright (C) 1998-2015 ABINIT group .
test-files/io/abinit/sic_relax.abo: Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
test-files/LICENSE:Copyright (c) 2026 Materialyze.AI
test-files/LICENSE:The above copyright notice and this permission notice shall be included in all
test-files/LICENSE:AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
test-files/command_line/chargemol/spin_unpolarized/VASP_DDEC_analysis.output: Copyright (c) 2014, 2015, 2016 by Thomas A. Manz and Nidia Gabaldon Limas. Rights reserved.
test-files/command_line/chargemol/spin_unpolarized/VASP_DDEC_analysis.output: Copyright (c) 2014, 2015, 2016, 2017 by Thomas A. Manz and Nidia Gabaldon Limas. Rights reserved.
test-files/cif/Cu7Te5.cif:# Copyright (c) ASM International & Material Phases Data System (MPDS), #
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debian/copyright:Copyright: 2011-2026 Shyue Ping Ong <ongsp@eng.ucsd.edu>
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README.md:## Our Copyright Policy
README.md:Pymatgen uses a shared copyright model. Each contributor maintains copyright over their contributions to `pymatgen`.
README.md:`pymatgen` source code, in its entirety is not the copyright of any single person or institution. Instead, it is the
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13 days ago
● public
look for license
Command: egrep -R -i license
Exit code: 0
tests/core/elasticity/test_elastic.py: License: This code is distributed under the BSD 3-Clause license.
LICENSE:The MIT License (MIT)
LICENSE:use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of
test-files/io/gaussian/acene-n_gaussian09_opt.out: This software is provided under written license and may be
test-files/io/gaussian/acene-n_gaussian09_opt.out: written license.
test-files/io/gaussian/acene-n_gaussian09_opt.out: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/acene-n_gaussian09_opt.out: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/methane.log: This software is provided under written license and may be
test-files/io/gaussian/methane.log: written license.
test-files/io/gaussian/methane.log: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/methane.log: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/CH2O_CO2.log: This software is provided under written license and may be
test-files/io/gaussian/CH2O_CO2.log: written license.
test-files/io/gaussian/CH2O_CO2.log: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/CH2O_CO2.log: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/so2_td.log: This software is provided under written license and may be
test-files/io/gaussian/so2_td.log: written license.
test-files/io/gaussian/so2_td.log: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/so2_td.log: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/so2_scan_opt.log: This software is provided under written license and may be
test-files/io/gaussian/so2_scan_opt.log: written license.
test-files/io/gaussian/so2_scan_opt.log: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/so2_scan_opt.log: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/H2O_gau_vib.out: This software is provided under written license and may be
test-files/io/gaussian/H2O_gau_vib.out: written license.
test-files/io/gaussian/H2O_gau_vib.out: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/H2O_gau_vib.out: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/H2O_scan_G16.out: This software is provided under written license and may be
test-files/io/gaussian/H2O_scan_G16.out: written license.
test-files/io/gaussian/H2O_scan_G16.out: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/H2O_scan_G16.out: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/H2O_gau.out: This software is provided under written license and may be
test-files/io/gaussian/H2O_gau.out: written license.
test-files/io/gaussian/H2O_gau.out: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/H2O_gau.out: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/so2_scan.log: This software is provided under written license and may be
test-files/io/gaussian/so2_scan.log: written license.
test-files/io/gaussian/so2_scan.log: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/so2_scan.log: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/gaussian/l-cysteine.out: This software is provided under written license and may be
test-files/io/gaussian/l-cysteine.out: written license.
test-files/io/gaussian/l-cysteine.out: assistance to any competitor of Gaussian, Inc. The licensee
test-files/io/gaussian/l-cysteine.out: licensee that it is not a competitor of Gaussian, Inc. and that
test-files/io/nwchem/anthrachinon_wfs_16_ethyl.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/anthrachinon_wfs_16_ethyl.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/anthrachinon_wfs_16_ethyl.nwout: in the LICENSE.TXT file
test-files/io/nwchem/anthrachinon_wfs_15_carboxyl.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/anthrachinon_wfs_15_carboxyl.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/anthrachinon_wfs_15_carboxyl.nwout: in the LICENSE.TXT file
test-files/io/nwchem/CH3CH2O.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/CH3CH2O.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/CH3CH2O.nwout: in the LICENSE.TXT file
test-files/io/nwchem/H4C3O3_1.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/H4C3O3_1.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/H4C3O3_1.nwout: in the LICENSE.TXT file
test-files/io/nwchem/N2O4.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/N2O4.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/N2O4.nwout: in the LICENSE.TXT file
test-files/io/nwchem/CH4.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/CH4.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/CH4.nwout: in the LICENSE.TXT file
test-files/io/nwchem/C1N1Cl1_1.nwout: Educational Community License (ECL) 2.0
test-files/io/nwchem/C1N1Cl1_1.nwout: A copy of the license is included with this distribution
test-files/io/nwchem/C1N1Cl1_1.nwout: in the LICENSE.TXT file
test-files/io/nwchem/phen_tddft.log: Educational Community License (ECL) 2.0
test-files/io/nwchem/phen_tddft.log: A copy of the license is included with this distribution
test-files/io/nwchem/phen_tddft.log: in the LICENSE.TXT file
test-files/io/adf/numerical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/numerical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/numerical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/numerical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/numerical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/numerical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/sp/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/sp/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/sp/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/sp/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/sp/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/sp/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/analytical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/analytical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/analytical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/analytical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/adf/analytical_freq/adf.out: * The terms and conditions of the End User License Agreement apply to *
test-files/io/adf/analytical_freq/adf.out: Licensed to: Dr. Yi-lei Wang / Dep. Chemistry, Tsinghua Univ. / Beijing / CHINA
test-files/io/qchem/extra_scf_print.qcout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/Optimization_no_equal.qout:Check license passed
test-files/io/qchem/new_qchem_files/1746.qout:Check license passed
test-files/io/qchem/new_qchem_files/nbo5_1.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/pes_scan_double_variable.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/almo.out: License issued to: National Renewable Energy Laboratory (site)
test-files/io/qchem/new_qchem_files/nbo7_3.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/pod2_gs.out: License issued to: National Renewable Energy Laboratory (site)
test-files/io/qchem/new_qchem_files/fodft_3.out: License issued to: National Renewable Energy Laboratory (site)
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test-files/io/qchem/new_qchem_files/fodft_2.out: License issued to: National Renewable Energy Laboratory (site)
test-files/io/qchem/new_qchem_files/2068.qout:Check license passed
test-files/io/qchem/new_qchem_files/nbo7_2.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/nbo7_1.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/N2.qcout:Check license passed
test-files/io/qchem/new_qchem_files/cdft_dc.qout: License issued to: National Renewable Energy Laboratory (site)
test-files/io/qchem/new_qchem_files/cdft_dc.qout: License issued to: National Renewable Energy Laboratory (site)
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test-files/io/qchem/new_qchem_files/fodft.out: License issued to: National Renewable Energy Laboratory (site)
test-files/io/qchem/new_qchem_files/pes_scan_single_variable.qout: License issued to: National Energy Research Scientific Computing Center
test-files/io/qchem/new_qchem_files/VCLi_solv_eps10.qcout:Check license passed
test-files/io/qchem/new_qchem_files/VCLi_solv_eps10.qcout:Check license passed
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test-files/io/qchem/new_qchem_files/roothaan_diis_gdm.qout: License issued to: National Energy Research Scientific Computing Center
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test-files/io/qchem/new_qchem_files/2620.qout:Check license passed
test-files/io/qchem/new_qchem_files/cdft_simple.qout: License issued to: National Renewable Energy Laboratory (site)
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test-files/io/abinit/mgb2_nscf.log: under certain conditions (GNU General Public License,
test-files/io/abinit/mgb2_nscf.log: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/io/abinit/mgb2_scf.abo: under certain conditions (GNU General Public License,
test-files/io/abinit/mgb2_scf.abo: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/io/abinit/si_scf_v10.2.7.abo: under certain conditions (GNU General Public License,
test-files/io/abinit/si_scf_v10.2.7.abo: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/io/abinit/mgb2_scf.log: under certain conditions (GNU General Public License,
test-files/io/abinit/mgb2_scf.log: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/io/abinit/mgb2_nscf.abo: under certain conditions (GNU General Public License,
test-files/io/abinit/mgb2_nscf.abo: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/io/abinit/badyaml.log: under certain conditions (GNU General Public License,
test-files/io/abinit/sic_relax.abo: under certain conditions (GNU General Public License,
test-files/io/abinit/sic_relax.abo: (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
test-files/LICENSE:MIT License
test-files/LICENSE:to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
test-files/cif/Cu7Te5.cif:# This copy of Pearson's Crystal Data is licensed to: #
test-files/cif/Cu7Te5.cif:# University of Alberta, Chemistry Department, 1-5 Installations License #
debian/copyright:License: MIT
debian/copyright:License: COD-CC0
debian/copyright:License: MIT
debian/copyright:License: MIT
debian/copyright: distribute, sublicense, and/or sell copies of the Software, and to
debian/copyright:License: COD-CC0
debian/copyright: 3. Public License Fallback. Should any part of the Waiver for any
debian/copyright: unconditional license to exercise Affirmer's Copyright and Related
debian/copyright: promotional purposes (the "License"). The License shall be deemed
debian/copyright: Should any part of the License for any reason be judged legally
debian/copyright: of the License, and in such case Affirmer hereby affirms that he
debian/copyright: abandoned, surrendered, licensed or otherwise affected by this
README.md:## License
README.md:Pymatgen is released under the MIT License. The terms of the license are as follows:
README.md:The MIT License (MIT) Copyright (c) 2011-2012 MIT & LBNL
README.md:rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to