cp2k-common-2024.1-4.fc40 RPM for x86_64

From Fedora Rawhide for x86_64 / c

CP2K is a freely available (GPL) program, written in Fortran 95, to
perform atomistic and molecular simulations of solid state, liquid,
molecular and biological systems. It provides a general framework for
different methods such as e.g. density functional theory (DFT) using a
mixed Gaussian and plane waves approach (GPW), and classical pair and
many-body potentials.

CP2K does not implement Car-Parinello Molecular Dynamics (CPMD).

This package contains the documentation and the manual.

Provides

• cp2k-common
• cp2k-common(x86-64)

Requires

• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1

License

GPLv2+

Changelog

* Fri Jan 26 2024 Cristian Le <cristian.le@mpsd.mpg.de> - 2024.1-4
  - Updated Spglib library dependency
* Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2024.1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Sun Jan 14 2024 Orion Poplawski <orion@nwra.com> - 2024.1-1
  - Update to 2024.1
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023.1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2023.1-2
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Tue Jan 03 2023 Dominik Mierzejewski <dominik@greysector.net> - 2023.1-1
  - update to 2023.1 (#2105463)
* Thu Oct 27 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 9.1-4
  - Rebuild for new libxc
* Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 9.1-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
* Tue Mar 22 2022 Dominik Mierzejewski <dominik@greysector.net> - 9.1-2
  - fix three failing tests due to wrong LD_LIBRARY_PATH setting
* Wed Mar 16 2022 Dominik Mierzejewski <dominik@greysector.net> - 9.1-1
  - update to 9.1 (#2036421)
  - re-enable LTO on x86_64

Files

/usr/share/cp2k
/usr/share/cp2k/data
/usr/share/cp2k/data/ALL_BASIS_SETS
/usr/share/cp2k/data/ALL_POTENTIALS
/usr/share/cp2k/data/AcPP1_POTENTIALS
/usr/share/cp2k/data/Allegro
/usr/share/cp2k/data/Allegro/si-deployed.pth
/usr/share/cp2k/data/Allegro/water-gra-film-double.pth
/usr/share/cp2k/data/BASIS_ADMM
/usr/share/cp2k/data/BASIS_ADMM_MOLOPT
/usr/share/cp2k/data/BASIS_ADMM_UZH
/usr/share/cp2k/data/BASIS_ADMM_ae
/usr/share/cp2k/data/BASIS_LRIGPW_AUXMOLOPT
/usr/share/cp2k/data/BASIS_MINBAS
/usr/share/cp2k/data/BASIS_MINIX
/usr/share/cp2k/data/BASIS_MOLOPT
/usr/share/cp2k/data/BASIS_MOLOPT_AcPP1
/usr/share/cp2k/data/BASIS_MOLOPT_LnPP1
/usr/share/cp2k/data/BASIS_MOLOPT_LnPP2
/usr/share/cp2k/data/BASIS_MOLOPT_UCL
/usr/share/cp2k/data/BASIS_MOLOPT_UZH
/usr/share/cp2k/data/BASIS_PERIODIC_GW
/usr/share/cp2k/data/BASIS_RI_cc-TZ
/usr/share/cp2k/data/BASIS_SET
/usr/share/cp2k/data/BASIS_ZIJLSTRA
/usr/share/cp2k/data/BASIS_ccGRB_UZH
/usr/share/cp2k/data/BASIS_def2_QZVP_RI_ALL
/usr/share/cp2k/data/BASIS_pob
/usr/share/cp2k/data/DFTB
/usr/share/cp2k/data/DFTB/nonscc
/usr/share/cp2k/data/DFTB/nonscc/bb
/usr/share/cp2k/data/DFTB/nonscc/bc
/usr/share/cp2k/data/DFTB/nonscc/bh
/usr/share/cp2k/data/DFTB/nonscc/bn
/usr/share/cp2k/data/DFTB/nonscc/cb
/usr/share/cp2k/data/DFTB/nonscc/cc
/usr/share/cp2k/data/DFTB/nonscc/cf
/usr/share/cp2k/data/DFTB/nonscc/ch
/usr/share/cp2k/data/DFTB/nonscc/clcl_exp
/usr/share/cp2k/data/DFTB/nonscc/clk_exp
/usr/share/cp2k/data/DFTB/nonscc/clli_exp
/usr/share/cp2k/data/DFTB/nonscc/clna_exp
/usr/share/cp2k/data/DFTB/nonscc/cn
/usr/share/cp2k/data/DFTB/nonscc/co
/usr/share/cp2k/data/DFTB/nonscc/csc
/usr/share/cp2k/data/DFTB/nonscc/csi
/usr/share/cp2k/data/DFTB/nonscc/fc
/usr/share/cp2k/data/DFTB/nonscc/ff
/usr/share/cp2k/data/DFTB/nonscc/fh
/usr/share/cp2k/data/DFTB/nonscc/hb
/usr/share/cp2k/data/DFTB/nonscc/hh
/usr/share/cp2k/data/DFTB/nonscc/hh0
/usr/share/cp2k/data/DFTB/nonscc/kcl_exp
/usr/share/cp2k/data/DFTB/nonscc/kk_exp
/usr/share/cp2k/data/DFTB/nonscc/licl_exp
/usr/share/cp2k/data/DFTB/nonscc/lili_exp
/usr/share/cp2k/data/DFTB/nonscc/momo
/usr/share/cp2k/data/DFTB/nonscc/mos
/usr/share/cp2k/data/DFTB/nonscc/nacl_exp
/usr/share/cp2k/data/DFTB/nonscc/nana_exp
/usr/share/cp2k/data/DFTB/nonscc/nb
/usr/share/cp2k/data/DFTB/nonscc/nbnb
/usr/share/cp2k/data/DFTB/nonscc/nbs
/usr/share/cp2k/data/DFTB/nonscc/nc
/usr/share/cp2k/data/DFTB/nonscc/nh
/usr/share/cp2k/data/DFTB/nonscc/nn
/usr/share/cp2k/data/DFTB/nonscc/no
/usr/share/cp2k/data/DFTB/nonscc/nonscc_parameter
/usr/share/cp2k/data/DFTB/nonscc/nsc
/usr/share/cp2k/data/DFTB/nonscc/nsi
/usr/share/cp2k/data/DFTB/nonscc/oc
/usr/share/cp2k/data/DFTB/nonscc/oh
/usr/share/cp2k/data/DFTB/nonscc/on
/usr/share/cp2k/data/DFTB/nonscc/oo
/usr/share/cp2k/data/DFTB/nonscc/osi
/usr/share/cp2k/data/DFTB/nonscc/osi-d
/usr/share/cp2k/data/DFTB/nonscc/pp
/usr/share/cp2k/data/DFTB/nonscc/scc
/usr/share/cp2k/data/DFTB/nonscc/scn
/usr/share/cp2k/data/DFTB/nonscc/scsc
/usr/share/cp2k/data/DFTB/nonscc/sic
/usr/share/cp2k/data/DFTB/nonscc/sih
/usr/share/cp2k/data/DFTB/nonscc/sih-d
/usr/share/cp2k/data/DFTB/nonscc/sin
/usr/share/cp2k/data/DFTB/nonscc/sio
/usr/share/cp2k/data/DFTB/nonscc/sio-d
/usr/share/cp2k/data/DFTB/nonscc/sisi
/usr/share/cp2k/data/DFTB/nonscc/sisi-d
/usr/share/cp2k/data/DFTB/nonscc/smo
/usr/share/cp2k/data/DFTB/nonscc/snb
/usr/share/cp2k/data/DFTB/nonscc/ss
/usr/share/cp2k/data/DFTB/scc
/usr/share/cp2k/data/DFTB/scc/cc.spl
/usr/share/cp2k/data/DFTB/scc/ch.spl
/usr/share/cp2k/data/DFTB/scc/cn.spl
/usr/share/cp2k/data/DFTB/scc/co.spl
/usr/share/cp2k/data/DFTB/scc/cp.spl
/usr/share/cp2k/data/DFTB/scc/cs.spl
/usr/share/cp2k/data/DFTB/scc/czn.spl
/usr/share/cp2k/data/DFTB/scc/hc.spl
/usr/share/cp2k/data/DFTB/scc/hh.spl
/usr/share/cp2k/data/DFTB/scc/hn.spl
/usr/share/cp2k/data/DFTB/scc/ho.spl
/usr/share/cp2k/data/DFTB/scc/ho_modi.spl
/usr/share/cp2k/data/DFTB/scc/hp.spl
/usr/share/cp2k/data/DFTB/scc/hs.spl
/usr/share/cp2k/data/DFTB/scc/hzn.spl
/usr/share/cp2k/data/DFTB/scc/nc.spl
/usr/share/cp2k/data/DFTB/scc/nh.spl
/usr/share/cp2k/data/DFTB/scc/nn.spl
/usr/share/cp2k/data/DFTB/scc/no.spl
/usr/share/cp2k/data/DFTB/scc/np.spl
/usr/share/cp2k/data/DFTB/scc/ns.spl
/usr/share/cp2k/data/DFTB/scc/nzn.spl
/usr/share/cp2k/data/DFTB/scc/oc.spl
/usr/share/cp2k/data/DFTB/scc/oh.spl
/usr/share/cp2k/data/DFTB/scc/oh_modi.spl
/usr/share/cp2k/data/DFTB/scc/on.spl
/usr/share/cp2k/data/DFTB/scc/oo.spl
/usr/share/cp2k/data/DFTB/scc/oo_modi.spl
/usr/share/cp2k/data/DFTB/scc/op.spl
/usr/share/cp2k/data/DFTB/scc/os.spl
/usr/share/cp2k/data/DFTB/scc/ozn.spl
/usr/share/cp2k/data/DFTB/scc/pc.spl
/usr/share/cp2k/data/DFTB/scc/ph.spl
/usr/share/cp2k/data/DFTB/scc/pn.spl
/usr/share/cp2k/data/DFTB/scc/po.spl
/usr/share/cp2k/data/DFTB/scc/pp.spl
/usr/share/cp2k/data/DFTB/scc/ps.spl
/usr/share/cp2k/data/DFTB/scc/sc.spl
/usr/share/cp2k/data/DFTB/scc/scc_parameter
/usr/share/cp2k/data/DFTB/scc/sh.spl
/usr/share/cp2k/data/DFTB/scc/sn.spl
/usr/share/cp2k/data/DFTB/scc/so.spl
/usr/share/cp2k/data/DFTB/scc/sp.spl
/usr/share/cp2k/data/DFTB/scc/ss.spl
/usr/share/cp2k/data/DFTB/scc/szn.spl
/usr/share/cp2k/data/DFTB/scc/uff_table
/usr/share/cp2k/data/DFTB/scc/znc.spl
/usr/share/cp2k/data/DFTB/scc/znh.spl
/usr/share/cp2k/data/DFTB/scc/znn.spl
/usr/share/cp2k/data/DFTB/scc/zno.spl
/usr/share/cp2k/data/DFTB/scc/zns.spl
/usr/share/cp2k/data/DFTB/scc/znzn.spl
/usr/share/cp2k/data/DFTB/uff_table
/usr/share/cp2k/data/ECP_POTENTIALS
/usr/share/cp2k/data/ECP_POTENTIALS_pob-TZVP-rev2
/usr/share/cp2k/data/EMSL_BASIS_SETS
/usr/share/cp2k/data/Fist
/usr/share/cp2k/data/Fist/UO2
/usr/share/cp2k/data/Fist/UO2/Meis2.ffp
/usr/share/cp2k/data/Fist/UO2/Meis2_k4.ffp
/usr/share/cp2k/data/Fist/UO2/Morelon.ffp
/usr/share/cp2k/data/Fist/UO2/UO2-cell_opt.inp
/usr/share/cp2k/data/GTH_BASIS_SETS
/usr/share/cp2k/data/GTH_POTENTIALS
/usr/share/cp2k/data/GTH_SOC_POTENTIALS
/usr/share/cp2k/data/HFX_BASIS
/usr/share/cp2k/data/HF_POTENTIALS
/usr/share/cp2k/data/LnPP1_POTENTIALS
/usr/share/cp2k/data/LnPP2_POTENTIALS
/usr/share/cp2k/data/MM_POTENTIAL
/usr/share/cp2k/data/NLCC_POTENTIALS
/usr/share/cp2k/data/NNP
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/README.md
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-1
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-2
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-3
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-4
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-5
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-6
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-7
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data
/usr/share/cp2k/data/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data
/usr/share/cp2k/data/NequIP
/usr/share/cp2k/data/NequIP/water-double.pth
/usr/share/cp2k/data/NequIP/water.pth
/usr/share/cp2k/data/POTENTIAL
/usr/share/cp2k/data/POTENTIAL_UZH
/usr/share/cp2k/data/README.md
/usr/share/cp2k/data/dftd3.dat
/usr/share/cp2k/data/nm12_parameters.xml
/usr/share/cp2k/data/rVV10_kernel_table.dat
/usr/share/cp2k/data/t_c_g.dat
/usr/share/cp2k/data/t_sh_p_s_c.dat
/usr/share/cp2k/data/vdW_kernel_table.dat
/usr/share/cp2k/data/xTB_parameters
/usr/share/cp2k/data/xc_section
/usr/share/cp2k/data/xc_section/CAM-B3LYP.sec
/usr/share/cp2k/data/xc_section/HF-3c.sec
/usr/share/cp2k/data/xc_section/PBE.sec
/usr/share/cp2k/data/xc_section/WB97X_2LP.sec
/usr/share/cp2k/data/xc_section/WB97X_2TQZ.sec
/usr/share/cp2k/data/xc_section/vdW-DF-cx.sec
/usr/share/cp2k/data/xc_section/vdW-DF-cx0p.sec
/usr/share/cp2k/data/xc_section/vdW-DF-optB88.sec
/usr/share/cp2k/data/xc_section/vdW-DF-optPBE.sec
/usr/share/cp2k/data/xc_section/vdW-DF1-C09.sec
/usr/share/cp2k/data/xc_section/vdW-DF1.sec
/usr/share/cp2k/data/xc_section/vdW-DF2-b86r.sec
/usr/share/cp2k/data/xc_section/vdW-DF2.sec
/usr/share/doc/cp2k-common
/usr/share/doc/cp2k-common/README.md
/usr/share/licenses/cp2k-common
/usr/share/licenses/cp2k-common/LICENSE

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Fabrice Bellet, Thu Apr 25 23:42:07 2024