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Package Info
🠗 Changelog
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2026-08-10 | Cristian Le <git at lecris dot dev> - 2026.2-4 | - Rebuild for dbcsr-2.10.0 |
| 2026-07-24 | Cristian Le <git at lecris dot dev> - 2026.2-3 | - Cleanup the spec file |
| 2026-07-21 | Cristian Le <git at lecris dot dev> - 2026.2-2 | - Drop march and mtune flags |
| 2026-07-21 | Packit <hello at packit dot dev> - 2026.2-1 | - Update to 2026.2 upstream release |
| 2026-07-15 | Fedora Release Engineering <releng at fedoraproject dot org> - 2025.1-6 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild |
| 2026-01-16 | Fedora Release Engineering <releng at fedoraproject dot org> - 2025.1-5 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild |
| 2026-01-16 | Fedora Release Engineering <releng at fedoraproject dot org> - 2025.1-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild |
| 2025-07-23 | Fedora Release Engineering <releng at fedoraproject dot org> - 2025.1-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild |
| 2025-03-07 | Ralf Corsépius <corsepiu at fedoraproject dot org> - 2025.1-2 | - Rebuild for scalapack SONAME change. |
| 2025-02-13 | Packit <hello at packit dot dev> - 2025.1-1 | - Update to 2025.1 upstream release - Resolves: rhbz#2335153 |
Provides
- cp2k-common
Files
- usr/
- share/
- cp2k/
- data/
- ALL_BASIS_SETS
- ALL_POTENTIALS
- AcPP1_POTENTIALS
- AcPP2_POTENTIALS
- Allegro/
- waterscan-allegro0.8.0.nequip.pth
- BASIS_ADMM
- BASIS_ADMM_MOLOPT
- BASIS_ADMM_UZH
- BASIS_ADMM_ae
- BASIS_AUG_MOLOPT
- BASIS_LRIGPW_AUXMOLOPT
- BASIS_MINBAS
- BASIS_MINIX
- BASIS_MOLOPT
- BASIS_MOLOPT_AcPP1
- BASIS_MOLOPT_AcPP2
- BASIS_MOLOPT_LnPP1
- BASIS_MOLOPT_LnPP2
- BASIS_MOLOPT_PSI
- BASIS_MOLOPT_UCL
- BASIS_MOLOPT_UZH
- BASIS_MOLOPT_UZH_2026.1
- BASIS_MOLOPT_UZH_2026.2
- BASIS_PERIODIC_GW
- BASIS_RI_AUG_MOLOPT
- BASIS_RI_MOLOPT
- BASIS_RI_cc-TZ
- BASIS_SET
- BASIS_TB_AE
- BASIS_TB_UZH
- BASIS_ZIJLSTRA
- BASIS_ccGRB_UZH
- BASIS_def2_QZVP_RI_ALL
- BASIS_pob
- DFTB/
- nonscc/
- bb
- bc
- bh
- bn
- cb
- cc
- cf
- ch
- clcl_exp
- clk_exp
- clli_exp
- clna_exp
- cn
- co
- csc
- csi
- fc
- ff
- fh
- hb
- hh
- hh0
- kcl_exp
- kk_exp
- licl_exp
- lili_exp
- momo
- mos
- nacl_exp
- nana_exp
- nb
- nbnb
- nbs
- nc
- nh
- nn
- no
- nonscc_parameter
- nsc
- nsi
- oc
- oh
- on
- oo
- osi
- osi-d
- pp
- scc
- scn
- scsc
- sic
- sih
- sih-d
- sin
- sio
- sio-d
- sisi
- sisi-d
- smo
- snb
- ss
- scc/
- cc.spl
- ch.spl
- cn.spl
- co.spl
- cp.spl
- cs.spl
- czn.spl
- hc.spl
- hh.spl
- hn.spl
- ho.spl
- ho_modi.spl
- hp.spl
- hs.spl
- hzn.spl
- nc.spl
- nh.spl
- nn.spl
- no.spl
- np.spl
- ns.spl
- nzn.spl
- oc.spl
- oh.spl
- oh_modi.spl
- on.spl
- oo.spl
- oo_modi.spl
- op.spl
- os.spl
- ozn.spl
- pc.spl
- ph.spl
- pn.spl
- po.spl
- pp.spl
- ps.spl
- sc.spl
- scc_parameter
- sh.spl
- sn.spl
- so.spl
- sp.spl
- ss.spl
- szn.spl
- uff_table
- znc.spl
- znh.spl
- znn.spl
- zno.spl
- zns.spl
- znzn.spl
- uff_table
- nonscc/
- DeePMD/
- water_dpa2.pth
- ECP_POTENTIALS
- ECP_POTENTIALS_pob-TZVP-rev2
- EMSL_BASIS_SETS
- GTH_BASIS_SETS
- GTH_POTENTIALS
- GTH_SOC_POTENTIALS
- HFX_BASIS
- HF_POTENTIALS
- LnPP1_POTENTIALS
- LnPP2_POTENTIALS
- MM_POTENTIAL
- MPC_POTENTIALS
- NLCC_POTENTIALS
- NNP/
- bulkH2O-jcp2020-cnnp/
- README.md
- nnp-1/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-2/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-3/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-4/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-5/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-6/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-7/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- nnp-8/
- input.nn
- scaling.data
- weights.001.data
- weights.008.data
- protH2OHelium-interaction-nnp/
- input.nn
- readme.md
- scaling.data
- weights.001.data
- weights.002.data
- weights.008.data
- protH2Ocluster-jctc2020-nnp/
- input.nn
- readme.md
- scaling.data
- weights.001.data
- weights.008.data
- bulkH2O-jcp2020-cnnp/
- NUCLEAR_BASIS_SETS
- NequIP/
- water-deployed-neq060sp.pth
- waterscan-neq0.16.nequip.pth
- POTENTIAL
- POTENTIAL_UZH
- POTENTIAL_UZH_2026.1
- POTENTIAL_UZH_2026.2
- README.md
- dftd3.dat
- forcefield_section/
- H2O/
- SPC.sec
- SPCE.sec
- TIP3P.sec
- TIP3P_FLEXIBLE.sec
- UO2/
- Meis2.sec
- Meis2_k4.sec
- Morelon.sec
- H2O/
- nm12_parameters.xml
- rVV10_kernel_table.dat
- ri_rs_grid/
- Al_def2-tzvp-rs.ion
- Ar_def2-tzvp-rs.ion
- As_def2-tzvp-rs.ion
- B_def2-tzvp-rs.ion
- Be_def2-tzvp-rs.ion
- Br_def2-tzvp-rs.ion
- C_cc-pvtz-rs.ion
- C_def2-tzvp-rs.ion
- Ca_def2-tzvp-rs.ion
- Cl_def2-tzvp-rs.ion
- Co_def2-tzvp-rs.ion
- Cr_def2-tzvp-rs.ion
- Cu_def2-tzvp-rs.ion
- F_def2-tzvp-rs.ion
- Fe_def2-tzvp-rs.ion
- Ga_def2-tzvp-rs.ion
- Ge_def2-tzvp-rs.ion
- H_cc-pvtz-rs.ion
- H_def2-tzvp-rs.ion
- He_def2-tzvp-rs.ion
- K_def2-tzvp-rs.ion
- Kr_def2-tzvp-rs.ion
- Li_def2-tzvp-rs.ion
- Mg_def2-tzvp-rs.ion
- Mn_def2-tzvp-rs.ion
- N_cc-pvtz-rs.ion
- N_def2-tzvp-rs.ion
- Na_def2-tzvp-rs.ion
- Ne_def2-tzvp-rs.ion
- Ni_def2-tzvp-rs.ion
- O_cc-pvtz-rs.ion
- O_def2-tzvp-rs.ion
- P_def2-tzvp-rs.ion
- S_def2-tzvp-rs.ion
- Sc_def2-tzvp-rs.ion
- Se_def2-tzvp-rs.ion
- Si_def2-tzvp-rs.ion
- Ti_def2-tzvp-rs.ion
- V_def2-tzvp-rs.ion
- Zn_def2-tzvp-rs.ion
- t_c_g.dat
- t_sh_p_s_c.dat
- vdW_kernel_table.dat
- xTB0_parameters
- xTB1_parameters
- xc_section/
- CAM-B3LYP.sec
- HF-3c.sec
- PBE.sec
- WB97X_2LP.sec
- WB97X_2TQZ.sec
- vdW-DF-cx.sec
- vdW-DF-cx0p.sec
- vdW-DF-optB88.sec
- vdW-DF-optPBE.sec
- vdW-DF1-C09.sec
- vdW-DF1.sec
- vdW-DF2-b86r.sec
- vdW-DF2.sec
- data/
- doc/
- cp2k-common/
- README.md
- cp2k-common/
- licenses/
- cp2k-common/
- LICENSE
- cp2k-common/
- cp2k/
- share/
Sources on Pagure