python3-pyscf-2.8.0-2.fc42 in Fedora 42
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Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2025-01-18 | Fedora Release Engineering <releng at fedoraproject dot org> - 2.8.0-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild |
| 2025-01-14 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.8.0-1 | - Update to 2.8.0. |
| 2024-10-16 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.7.0-3 | - Bump release |
| 2024-10-12 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.7.0-2 | - Bump release to rebuild against libxc 7 in rawhide (f42). |
| 2024-09-26 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.7.0-1 | - Update to 2.7.0. |
| 2024-09-04 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.6.2-1 | - Update to 2.6.2. |
| 2024-07-24 | Miroslav Suchý <msuchy at redhat dot com> - 2.6.0-6 | - convert license to SPDX |
| 2024-07-19 | Fedora Release Engineering <releng at fedoraproject dot org> - 2.6.0-5 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-19 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.6.0-4 | - Patch to load in new library where it is needed. |
| 2024-06-14 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.6.0-3 | - Filter out a new internal dependency from rpm tracking. |
Dependencies
Provides
- python-pyscf
- python3-pyscf
- python3-pyscf(x86-64)
- python3.13-pyscf
Files
- usr/
- lib/
- .build-id/
- 06/
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- ee/
- 44d5f07ff2a223be792076b2eaba35eaec02db
- 06/
- .build-id/
- lib64/
- python3.13/
- site-packages/
- pyscf/
- __all__.py
- __config__.py
- __init__.py
- __pycache__/
- __all__.cpython-313.opt-1.pyc
- __all__.cpython-313.pyc
- __config__.cpython-313.opt-1.pyc
- __config__.cpython-313.pyc
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- post_scf.cpython-313.opt-1.pyc
- post_scf.cpython-313.pyc
- adc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- dfadc.cpython-313.opt-1.pyc
- dfadc.cpython-313.pyc
- radc.cpython-313.opt-1.pyc
- radc.cpython-313.pyc
- radc_amplitudes.cpython-313.opt-1.pyc
- radc_amplitudes.cpython-313.pyc
- radc_ao2mo.cpython-313.opt-1.pyc
- radc_ao2mo.cpython-313.pyc
- radc_ea.cpython-313.opt-1.pyc
- radc_ea.cpython-313.pyc
- radc_ip.cpython-313.opt-1.pyc
- radc_ip.cpython-313.pyc
- radc_ip_cvs.cpython-313.opt-1.pyc
- radc_ip_cvs.cpython-313.pyc
- uadc.cpython-313.opt-1.pyc
- uadc.cpython-313.pyc
- uadc_amplitudes.cpython-313.opt-1.pyc
- uadc_amplitudes.cpython-313.pyc
- uadc_ao2mo.cpython-313.opt-1.pyc
- uadc_ao2mo.cpython-313.pyc
- uadc_ea.cpython-313.opt-1.pyc
- uadc_ea.cpython-313.pyc
- uadc_ip.cpython-313.opt-1.pyc
- uadc_ip.cpython-313.pyc
- uadc_ip_cvs.cpython-313.opt-1.pyc
- uadc_ip_cvs.cpython-313.pyc
- dfadc.py
- radc.py
- radc_amplitudes.py
- radc_ao2mo.py
- radc_ea.py
- radc_ip.py
- radc_ip_cvs.py
- test/
- test_radc/
- __pycache__/
- test_H2O_radc_ea.cpython-313.opt-1.pyc
- test_H2O_radc_ea.cpython-313.pyc
- test_H2O_radc_ip.cpython-313.opt-1.pyc
- test_H2O_radc_ip.cpython-313.pyc
- test_H2O_radc_ip_cvs.cpython-313.opt-1.pyc
- test_H2O_radc_ip_cvs.cpython-313.pyc
- test_H2O_radc_outcore_ea.cpython-313.opt-1.pyc
- test_H2O_radc_outcore_ea.cpython-313.pyc
- test_H2O_radc_outcore_ip.cpython-313.opt-1.pyc
- test_H2O_radc_outcore_ip.cpython-313.pyc
- test_N2_radc_ea.cpython-313.opt-1.pyc
- test_N2_radc_ea.cpython-313.pyc
- test_N2_radc_ip.cpython-313.opt-1.pyc
- test_N2_radc_ip.cpython-313.pyc
- test_N2_radc_ip_cvs.cpython-313.opt-1.pyc
- test_N2_radc_ip_cvs.cpython-313.pyc
- test_approx_trans_mom.cpython-313.opt-1.pyc
- test_approx_trans_mom.cpython-313.pyc
- test_dfadc_N2.cpython-313.opt-1.pyc
- test_dfadc_N2.cpython-313.pyc
- test_H2O_radc_ea.py
- test_H2O_radc_ip.py
- test_H2O_radc_ip_cvs.py
- test_H2O_radc_outcore_ea.py
- test_H2O_radc_outcore_ip.py
- test_N2_radc_ea.py
- test_N2_radc_ip.py
- test_N2_radc_ip_cvs.py
- test_approx_trans_mom.py
- test_dfadc_N2.py
- __pycache__/
- test_uadc/
- __pycache__/
- test_N2_uadc_ea.cpython-313.opt-1.pyc
- test_N2_uadc_ea.cpython-313.pyc
- test_N2_uadc_ip.cpython-313.opt-1.pyc
- test_N2_uadc_ip.cpython-313.pyc
- test_N2_uadc_ip_cvs.cpython-313.opt-1.pyc
- test_N2_uadc_ip_cvs.cpython-313.pyc
- test_OH_uadc_ea.cpython-313.opt-1.pyc
- test_OH_uadc_ea.cpython-313.pyc
- test_OH_uadc_ip.cpython-313.opt-1.pyc
- test_OH_uadc_ip.cpython-313.pyc
- test_OH_uadc_ip_cvs.cpython-313.opt-1.pyc
- test_OH_uadc_ip_cvs.cpython-313.pyc
- test_OH_uadc_outcore_ea.cpython-313.opt-1.pyc
- test_OH_uadc_outcore_ea.cpython-313.pyc
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- test_P_uadc_ip.cpython-313.pyc
- test_P_uadc_ip_cvs.cpython-313.opt-1.pyc
- test_P_uadc_ip_cvs.cpython-313.pyc
- test_dfadc_OH.cpython-313.opt-1.pyc
- test_dfadc_OH.cpython-313.pyc
- test_N2_uadc_ea.py
- test_N2_uadc_ip.py
- test_N2_uadc_ip_cvs.py
- test_OH_uadc_ea.py
- test_OH_uadc_ip.py
- test_OH_uadc_ip_cvs.py
- test_OH_uadc_outcore_ea.py
- test_OH_uadc_outcore_ip.py
- test_P_uadc_ea.py
- test_P_uadc_ip.py
- test_P_uadc_ip_cvs.py
- test_dfadc_OH.py
- __pycache__/
- test_radc/
- uadc.py
- uadc_amplitudes.py
- uadc_ao2mo.py
- uadc_ea.py
- uadc_ip.py
- uadc_ip_cvs.py
- agf2/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- _agf2.cpython-313.opt-1.pyc
- _agf2.cpython-313.pyc
- aux_space.cpython-313.opt-1.pyc
- aux_space.cpython-313.pyc
- chempot.cpython-313.opt-1.pyc
- chempot.cpython-313.pyc
- chkfile.cpython-313.opt-1.pyc
- chkfile.cpython-313.pyc
- dfragf2.cpython-313.opt-1.pyc
- dfragf2.cpython-313.pyc
- dfuagf2.cpython-313.opt-1.pyc
- dfuagf2.cpython-313.pyc
- mpi_helper.cpython-313.opt-1.pyc
- mpi_helper.cpython-313.pyc
- ragf2.cpython-313.opt-1.pyc
- ragf2.cpython-313.pyc
- ragf2_slow.cpython-313.opt-1.pyc
- ragf2_slow.cpython-313.pyc
- uagf2.cpython-313.opt-1.pyc
- uagf2.cpython-313.pyc
- uagf2_slow.cpython-313.opt-1.pyc
- uagf2_slow.cpython-313.pyc
- _agf2.py
- aux_space.py
- chempot.py
- chkfile.py
- dfragf2.py
- dfuagf2.py
- mpi_helper.py
- ragf2.py
- ragf2_slow.py
- test/
- __pycache__/
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- test_dfragf2_h2o.cpython-313.opt-1.pyc
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- test_dfuagf2_beh.cpython-313.opt-1.pyc
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- test_uagf2_slow_beh.cpython-313.opt-1.pyc
- test_uagf2_slow_beh.cpython-313.pyc
- test_c_agf2.py
- test_dfragf2_h2o.py
- test_dfuagf2_beh.py
- test_ragf2_h2o.py
- test_ragf2_slow_h2o.py
- test_uagf2_beh.py
- test_uagf2_slow_beh.py
- __pycache__/
- uagf2.py
- uagf2_slow.py
- ao2mo/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
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- _ao2mo.cpython-313.pyc
- addons.cpython-313.opt-1.pyc
- addons.cpython-313.pyc
- incore.cpython-313.opt-1.pyc
- incore.cpython-313.pyc
- nrr_outcore.cpython-313.opt-1.pyc
- nrr_outcore.cpython-313.pyc
- outcore.cpython-313.opt-1.pyc
- outcore.cpython-313.pyc
- r_outcore.cpython-313.opt-1.pyc
- r_outcore.cpython-313.pyc
- semi_incore.cpython-313.opt-1.pyc
- semi_incore.cpython-313.pyc
- _ao2mo.py
- addons.py
- incore.py
- nrr_outcore.py
- outcore.py
- r_outcore.py
- semi_incore.py
- test/
- __pycache__/
- bz_nr.cpython-313.opt-1.pyc
- bz_nr.cpython-313.pyc
- test_addons.cpython-313.opt-1.pyc
- test_addons.cpython-313.pyc
- test_incore.cpython-313.opt-1.pyc
- test_incore.cpython-313.pyc
- test_init.cpython-313.opt-1.pyc
- test_init.cpython-313.pyc
- test_nrr_outcore.cpython-313.opt-1.pyc
- test_nrr_outcore.cpython-313.pyc
- test_outcore.cpython-313.opt-1.pyc
- test_outcore.cpython-313.pyc
- test_r_outcore.cpython-313.opt-1.pyc
- test_r_outcore.cpython-313.pyc
- test_semi_incore.cpython-313.opt-1.pyc
- test_semi_incore.cpython-313.pyc
- bz_nr.py
- test_addons.py
- test_incore.py
- test_init.py
- test_nrr_outcore.py
- test_outcore.py
- test_r_outcore.py
- test_semi_incore.py
- __pycache__/
- cc/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
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- _ccsd.cpython-313.pyc
- addons.cpython-313.opt-1.pyc
- addons.cpython-313.pyc
- bccd.cpython-313.opt-1.pyc
- bccd.cpython-313.pyc
- ccd.cpython-313.opt-1.pyc
- ccd.cpython-313.pyc
- ccsd.cpython-313.opt-1.pyc
- ccsd.cpython-313.pyc
- ccsd_lambda.cpython-313.opt-1.pyc
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- gccsd_lambda.cpython-313.pyc
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- gintermediates.cpython-313.pyc
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- rccsd_slow.cpython-313.pyc
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- uintermediates.cpython-313.pyc
- uintermediates_slow.cpython-313.opt-1.pyc
- uintermediates_slow.cpython-313.pyc
- _ccsd.py
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- ccd.py
- ccsd.py
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- ccsd_rdm.py
- ccsd_rdm_slow.py
- ccsd_t.py
- ccsd_t_lambda_slow.py
- ccsd_t_rdm_slow.py
- ccsd_t_slow.py
- dfccsd.py
- eom_gccsd.py
- eom_rccsd.py
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- gccsd.py
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- gccsd_rdm.py
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- gccsd_t_lambda.py
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- gccsd_t_slow.py
- gintermediates.py
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- qcisd.py
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- rccsd_slow.py
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- test/
- __pycache__/
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- test_momgfccsd.cpython-313.pyc
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- test_qcisd.cpython-313.pyc
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- test_2e.py
- test_addons.py
- test_bz.py
- test_ccd.py
- test_ccsd_lambda.py
- test_ccsd_t.py
- test_dfccsd.py
- test_eom_gccsd.py
- test_eom_rccsd.py
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- test_fno.py
- test_fno_uhf.py
- test_gccsd.py
- test_gccsd_lambda.py
- test_gccsd_t.py
- test_h2o.py
- test_momgfccsd.py
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- __pycache__/
- uccsd.py
- uccsd_lambda.py
- uccsd_rdm.py
- uccsd_slow.py
- uccsd_t.py
- uccsd_t_lambda.py
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- dyall_qz.cpython-313.opt-1.pyc
- dyall_qz.cpython-313.pyc
- dyall_tz.cpython-313.opt-1.pyc
- dyall_tz.cpython-313.pyc
- dzp_dunning.cpython-313.opt-1.pyc
- dzp_dunning.cpython-313.pyc
- faegre_dz.cpython-313.opt-1.pyc
- faegre_dz.cpython-313.pyc
- iglo3.cpython-313.opt-1.pyc
- iglo3.cpython-313.pyc
- minao.cpython-313.opt-1.pyc
- minao.cpython-313.pyc
- parse_bfd_pp.cpython-313.opt-1.pyc
- parse_bfd_pp.cpython-313.pyc
- parse_cp2k.cpython-313.opt-1.pyc
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- parse_gaussian.cpython-313.opt-1.pyc
- parse_gaussian.cpython-313.pyc
- parse_molpro.cpython-313.opt-1.pyc
- parse_molpro.cpython-313.pyc
- parse_nwchem.cpython-313.opt-1.pyc
- parse_nwchem.cpython-313.pyc
- parse_nwchem_ecp.cpython-313.opt-1.pyc
- parse_nwchem_ecp.cpython-313.pyc
- adzp.dat
- ahlrichs_cfit.dat
- ano.dat
- aqzp.dat
- atzp.dat
- aug-cc-pV5Z-PP.dat
- aug-cc-pV5Z_MP2FIT.dat
- aug-cc-pVDZ-PP.dat
- aug-cc-pVQZ-DK3.dat
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- aug-cc-pVQZ_MP2FIT.dat
- aug-cc-pVTZ-DK3.dat
- aug-cc-pVTZ-PP.dat
- aug-cc-pv5z-dk.dat
- aug-cc-pv5z-jkfit.dat
- aug-cc-pv5z-ri.dat
- aug-cc-pv5z.dat
- aug-cc-pvdpdz.dat
- aug-cc-pvdz-dk.dat
- aug-cc-pvdz-jkfit.dat
- aug-cc-pvdz-ri.dat
- aug-cc-pvdz.dat
- aug-cc-pvdzp-jkfit.dat
- aug-cc-pvdzp-ri.dat
- aug-cc-pvqz-dk.dat
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- aug-cc-pvtz.dat
- aug-cc-pwCVQZ-DK.dat
- aug-cc-pwCVQZ-DK3.dat
- aug-cc-pwCVTZ-DK.dat
- aug-cc-pwCVTZ-DK3.dat
- aug-cc-pwCVTZ_MP2FIT.dat
- aug-cc-pwcv5z-dk.dat
- aug-cc-pwcv5z.dat
- aug-cc-pwcvdz.dat
- aug-cc-pwcvqz.dat
- aug-cc-pwcvtz.dat
- aug-pc-0.dat
- aug-pc-1.dat
- aug-pc-2.dat
- aug-pc-3.dat
- aug-pc-4.dat
- aug-pcseg-0.dat
- aug-pcseg-1.dat
- aug-pcseg-2.dat
- aug-pcseg-3.dat
- aug-pcseg-4.dat
- bfd_pp.dat
- bfd_v5z.dat
- bfd_vdz.dat
- bfd_vqz.dat
- bfd_vtz.dat
- bse.py
- cc-pCV5Z.dat
- cc-pCV6Z.dat
- cc-pCVDZ.dat
- cc-pCVQZ.dat
- cc-pCVTZ.dat
- cc-pV5Z_MP2FIT.dat
- cc-pVDZ-PP-NR.dat
- cc-pVQZ-DK3.dat
- cc-pVQZ_MP2FIT.dat
- cc-pVTZ-DK3.dat
- cc-pVTZ-PP-NR.dat
- cc-pv5z-dk.dat
- cc-pv5z-jkfit.dat
- cc-pv5z-pp.dat
- cc-pv5z-ri.dat
- cc-pv5z.dat
- cc-pvdpdz.dat
- cc-pvdz-dk.dat
- cc-pvdz-jkfit.dat
- cc-pvdz-pp.dat
- cc-pvdz-ri.dat
- cc-pvdz.dat
- cc-pvdz_fit.dat
- cc-pvqz-dk.dat
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- cc-pvqz.dat
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- cc-pwCVTZ.dat
- cc-pwCVTZ_MP2FIT.dat
- ccecp-basis/
- ccECP/
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- ccECP_aug-cc-pV5Z.dat
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- ccECP_He_core/
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- ccECP_reg/
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- ccECP/
- crenbl.dat
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- crystal-cc-pvdz.dat
- def2-mtzvp.dat
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- def2-tzvppd-ri.dat
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- dyall-basis/
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- dyall_cv3z.py
- dyall_cv4z.py
- dyall_v2z.py
- dyall_v3z.py
- dyall_v4z.py
- dyall_dz.py
- dyall_qz.py
- dyall_tz.py
- dz.dat
- dzp-dkh.dat
- dzp.dat
- dzp_dunning.py
- dzvp.dat
- dzvp2.dat
- f12-basis/
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- heavy-aug-cc-pvdz-jkfit.dat
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- heavy-aug-cc-pvtz-jkfit.dat
- heavy-aug-cc-pvtz-ri.dat
- iglo3.py
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- minao.py
- parse_bfd_pp.py
- parse_cp2k.py
- parse_cp2k_pp.py
- parse_gaussian.py
- parse_molpro.py
- parse_nwchem.py
- parse_nwchem_ecp.py
- pc-0.dat
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- pc-2.dat
- pc-3.dat
- pc-4.dat
- pcseg-0.dat
- pcseg-1.dat
- pcseg-2.dat
- pcseg-3.dat
- pcseg-4.dat
- pob-tzvp.dat
- pob-tzvpp.dat
- pople-basis/
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- qzp-dkh.dat
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- sap_grasp_large.dat
- sap_grasp_small.dat
- sarc-dkh2.dat
- sbkjc.dat
- soecp/
- ECPDS10MDFSO.dat
- ECPDS28MDFSO.dat
- ECPDS28MWBSO.dat
- ECPDS46MDFSO.dat
- ECPDS60MDFSO.dat
- ECPDS60MWBSO.dat
- ECPDS78MDFSO.dat
- ECPDS92MDFBQSO.dat
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- sto-3g.dat
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- tzp-dkh.dat
- tzp.dat
- tzv.dat
- weigend_cfit.dat
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- mole.py
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