python3-pymatgen (2025.2.18+dfsg1-5)

Details

Core information at a glance

Distribution
debian
Origin
debian-sid
Repository
https://deb.debian.org/debian
Codename
sid
Component
main
Source
pymatgen
Architecture
s390x
Section
python
Priority
optional
Maintainer
Debichem Team <[email protected]>

Size & integrity

Byte sizes and integrity verification

Installed size
18.4 kB
Size expected
2.6 MB
Size actual
2.6 MB
Size match

Dependencies

Required package dependencies

  • python3 (<< 3.14)
  • python3 (>= 3.13~)
  • python3-joblib (>= 1~)
  • python3-matplotlib (>= 3.8~)
  • python3-monty (>= 2025.1.9~)
  • python3-networkx (>= 3~)
  • python3-numpy
  • python3-numpy2-abi0 | python3-numpy-abi9
  • python3-palettable (>= 3.3.3~)
  • python3-pandas (>= 2~)
  • python3-plotly (>= 5.0.0~)
  • python3-pybtex (>= 0.24.0~)
  • python3-requests (>= 2.32~)
  • python3-ruamel.yaml (>= 0.17.0~)
  • python3-scipy (>= 1.13.0~)
  • python3-spglib (>= 2.5.0~)
  • python3-sympy (>= 1.6.2~)
  • python3-tabulate (>= 0.9~)
  • python3-tqdm (>= 4.60~)
  • python3-uncertainties (>= 3.1.4~)
  • python3:any
  • libc6 (>= 2.4)

Suggested packages

Recommended additional packages

  • python-pymatgen-doc
  • python3-mp-api (>= 0.27.3~)

Description

Python Materials Genomics for materials analysis

Tags

Package classification tags

None

Checksums

Hash values and integrity verification status

TypeActualMatch
MD57dd6d189…aa3e07ae
SHA-13a44f5b5…cff7fbf0
SHA-256acb9bf3a…24480ea5
SHA-51273d7107d…b711ef87

Contents

Files and directories included

.
usr
usr/bin
usr/bin/feff_plot_cross_section
usr/bin/feff_plot_dos
usr/bin/get_environment
usr/bin/pmg
usr/lib
usr/lib/python3
usr/lib/python3/dist-packages
usr/lib/python3/dist-packages/pymatgen
usr/lib/python3/dist-packages/pymatgen/alchemy
usr/lib/python3/dist-packages/pymatgen/alchemy/__init__.py
usr/lib/python3/dist-packages/pymatgen/alchemy/filters.py
usr/lib/python3/dist-packages/pymatgen/alchemy/materials.py
usr/lib/python3/dist-packages/pymatgen/alchemy/transmuters.py
usr/lib/python3/dist-packages/pymatgen/analysis
usr/lib/python3/dist-packages/pymatgen/analysis/adsorption.py
usr/lib/python3/dist-packages/pymatgen/analysis/aflow_prototypes.json
usr/lib/python3/dist-packages/pymatgen/analysis/atomic_subshell_photoionization_cross_sections.csv
usr/lib/python3/dist-packages/pymatgen/analysis/bond_dissociation.py
usr/lib/python3/dist-packages/pymatgen/analysis/bond_valence.py
usr/lib/python3/dist-packages/pymatgen/analysis/bonds_jmol_ob.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/bvparam_1991.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity/connected_components.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity/connectivity_finder.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity/environment_nodes.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/connectivity/structure_connectivity.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/A#2.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/AC#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_1#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_2#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BO_3#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_1#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/BS_2#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/C#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/CO#11.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#20.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DD#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DDPN#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/DI#11.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ET#7.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/FO#7.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/H#11.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HA#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HB#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HD#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/HP#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/I#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/L#2.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/MI#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/O#6_explicit.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PA#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PB#7.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PBP#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PCPA#11.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#5.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/PP#6.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#1.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#4.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/S#5.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SA#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBSA#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SBT#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SC#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#11.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SH#13.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SMA#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#4.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SS#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/ST#7.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/SY#4.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#4.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#5.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/T#6.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBSA#10.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TBT#8.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TC#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TI#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TL#3.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_1#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_2#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TO_3#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TS#3.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT#12.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_1#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_2#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TT_3#9.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/TY#3.json
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometries_files/allcg.txt
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/structure_environments.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/coordination_environments/voronoi.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/chemenv_config.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/chemenv_errors.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/coordination_geometry_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/defs_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/func_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/graph_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/math_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chemenv/utils/scripts_utils.py
usr/lib/python3/dist-packages/pymatgen/analysis/chempot_diagram.py
usr/lib/python3/dist-packages/pymatgen/analysis/cn_opt_params.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/cost.py
usr/lib/python3/dist-packages/pymatgen/analysis/costdb_elements.csv
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/atomic_scattering_params.json
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/core.py
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/neutron.py
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/neutron_scattering_length.json
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/tem.py
usr/lib/python3/dist-packages/pymatgen/analysis/diffraction/xrd.py
usr/lib/python3/dist-packages/pymatgen/analysis/dimensionality.py
usr/lib/python3/dist-packages/pymatgen/analysis/disorder.py
usr/lib/python3/dist-packages/pymatgen/analysis/elasticity
usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/elastic.py
usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/strain.py
usr/lib/python3/dist-packages/pymatgen/analysis/elasticity/stress.py
usr/lib/python3/dist-packages/pymatgen/analysis/energy_models.py
usr/lib/python3/dist-packages/pymatgen/analysis/eos.py
usr/lib/python3/dist-packages/pymatgen/analysis/ewald.py
usr/lib/python3/dist-packages/pymatgen/analysis/excitation.py
usr/lib/python3/dist-packages/pymatgen/analysis/ferroelectricity
usr/lib/python3/dist-packages/pymatgen/analysis/ferroelectricity/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/ferroelectricity/polarization.py
usr/lib/python3/dist-packages/pymatgen/analysis/fragmenter.py
usr/lib/python3/dist-packages/pymatgen/analysis/functional_groups.py
usr/lib/python3/dist-packages/pymatgen/analysis/gb
usr/lib/python3/dist-packages/pymatgen/analysis/gb/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/gb/grain.py
usr/lib/python3/dist-packages/pymatgen/analysis/graphs.py
usr/lib/python3/dist-packages/pymatgen/analysis/hhi.py
usr/lib/python3/dist-packages/pymatgen/analysis/hhi_data.csv
usr/lib/python3/dist-packages/pymatgen/analysis/icsd_bv.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/interface_reactions.py
usr/lib/python3/dist-packages/pymatgen/analysis/interfaces
usr/lib/python3/dist-packages/pymatgen/analysis/interfaces/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/interfaces/coherent_interfaces.py
usr/lib/python3/dist-packages/pymatgen/analysis/interfaces/substrate_analyzer.py
usr/lib/python3/dist-packages/pymatgen/analysis/interfaces/zsl.py
usr/lib/python3/dist-packages/pymatgen/analysis/ionic_radii.json
usr/lib/python3/dist-packages/pymatgen/analysis/local_env.py
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism/analyzer.py
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism/default_magmoms.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism/heisenberg.py
usr/lib/python3/dist-packages/pymatgen/analysis/magnetism/jahnteller.py
usr/lib/python3/dist-packages/pymatgen/analysis/molecule_matcher.py
usr/lib/python3/dist-packages/pymatgen/analysis/molecule_structure_comparator.py
usr/lib/python3/dist-packages/pymatgen/analysis/nmr.py
usr/lib/python3/dist-packages/pymatgen/analysis/op_params.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/phase_diagram.py
usr/lib/python3/dist-packages/pymatgen/analysis/piezo.py
usr/lib/python3/dist-packages/pymatgen/analysis/piezo_sensitivity.py
usr/lib/python3/dist-packages/pymatgen/analysis/pourbaix_diagram.py
usr/lib/python3/dist-packages/pymatgen/analysis/prototypes.py
usr/lib/python3/dist-packages/pymatgen/analysis/quasiharmonic.py
usr/lib/python3/dist-packages/pymatgen/analysis/quasirrho.py
usr/lib/python3/dist-packages/pymatgen/analysis/reaction_calculator.py
usr/lib/python3/dist-packages/pymatgen/analysis/solar
usr/lib/python3/dist-packages/pymatgen/analysis/solar/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/solar/am1.5G.dat
usr/lib/python3/dist-packages/pymatgen/analysis/solar/slme.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_analyzer.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_matcher.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/DLS_bond_params.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/data
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/data/lambda.json
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/data/pair_correlation.json
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/dopant_predictor.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/substitution_probability.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/substitutor.py
usr/lib/python3/dist-packages/pymatgen/analysis/structure_prediction/volume_predictor.py
usr/lib/python3/dist-packages/pymatgen/analysis/surface_analysis.py
usr/lib/python3/dist-packages/pymatgen/analysis/thermochemistry.py
usr/lib/python3/dist-packages/pymatgen/analysis/topological
usr/lib/python3/dist-packages/pymatgen/analysis/topological/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/topological/spillage.py
usr/lib/python3/dist-packages/pymatgen/analysis/transition_state.py
usr/lib/python3/dist-packages/pymatgen/analysis/vesta_cutoffs.yaml
usr/lib/python3/dist-packages/pymatgen/analysis/wulff.py
usr/lib/python3/dist-packages/pymatgen/analysis/xas
usr/lib/python3/dist-packages/pymatgen/analysis/xas/__init__.py
usr/lib/python3/dist-packages/pymatgen/analysis/xas/spectrum.py
usr/lib/python3/dist-packages/pymatgen/analysis/xps.py
usr/lib/python3/dist-packages/pymatgen/apps
usr/lib/python3/dist-packages/pymatgen/apps/__init__.py
usr/lib/python3/dist-packages/pymatgen/apps/battery
usr/lib/python3/dist-packages/pymatgen/apps/battery/__init__.py
usr/lib/python3/dist-packages/pymatgen/apps/battery/analyzer.py
usr/lib/python3/dist-packages/pymatgen/apps/battery/battery_abc.py
usr/lib/python3/dist-packages/pymatgen/apps/battery/conversion_battery.py
usr/lib/python3/dist-packages/pymatgen/apps/battery/insertion_battery.py
usr/lib/python3/dist-packages/pymatgen/apps/battery/plotter.py
usr/lib/python3/dist-packages/pymatgen/apps/borg
usr/lib/python3/dist-packages/pymatgen/apps/borg/__init__.py
usr/lib/python3/dist-packages/pymatgen/apps/borg/hive.py
usr/lib/python3/dist-packages/pymatgen/apps/borg/queen.py
usr/lib/python3/dist-packages/pymatgen/cli
usr/lib/python3/dist-packages/pymatgen/cli/__init__.py
usr/lib/python3/dist-packages/pymatgen/cli/feff_plot_cross_section.py
usr/lib/python3/dist-packages/pymatgen/cli/feff_plot_dos.py
usr/lib/python3/dist-packages/pymatgen/cli/get_environment.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg_analyze.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg_config.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg_plot.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg_potcar.py
usr/lib/python3/dist-packages/pymatgen/cli/pmg_structure.py
usr/lib/python3/dist-packages/pymatgen/command_line
usr/lib/python3/dist-packages/pymatgen/command_line/__init__.py
usr/lib/python3/dist-packages/pymatgen/command_line/bader_caller.py
usr/lib/python3/dist-packages/pymatgen/command_line/chargemol_caller.py
usr/lib/python3/dist-packages/pymatgen/command_line/critic2_caller.py
usr/lib/python3/dist-packages/pymatgen/command_line/enumlib_caller.py
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