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Port details
cp2k-data Data for cp2k quantum chemistry package
2025.1 science on this many watch lists=2 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 2024.3Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2019-04-06 16:27:27
Last Update: 2025-01-03 10:27:39
Commit Hash: 3ae06db
People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
License: GPLv2+
WWW:
https://www.cp2k.org/
Description:
Data files used by the cp2k quantum chemistry package. They include pseudopotentials and other data needed for computations.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (226 items)
Collapse this list.
  1. /usr/local/share/licenses/cp2k-data-2025.1/catalog.mk
  2. /usr/local/share/licenses/cp2k-data-2025.1/LICENSE
  3. /usr/local/share/licenses/cp2k-data-2025.1/GPLv2+
  4. share/cp2k/ALL_BASIS_SETS
  5. share/cp2k/ALL_POTENTIALS
  6. share/cp2k/AcPP1_POTENTIALS
  7. share/cp2k/Allegro/gra-water-deployed-neq060sp.pth
  8. share/cp2k/Allegro/si-deployed-neq060dp.pth
  9. share/cp2k/BASIS_ADMM
  10. share/cp2k/BASIS_ADMM_MOLOPT
  11. share/cp2k/BASIS_ADMM_UZH
  12. share/cp2k/BASIS_ADMM_ae
  13. share/cp2k/BASIS_LRIGPW_AUXMOLOPT
  14. share/cp2k/BASIS_MINBAS
  15. share/cp2k/BASIS_MINIX
  16. share/cp2k/BASIS_MOLOPT
  17. share/cp2k/BASIS_MOLOPT_AcPP1
  18. share/cp2k/BASIS_MOLOPT_LnPP1
  19. share/cp2k/BASIS_MOLOPT_LnPP2
  20. share/cp2k/BASIS_MOLOPT_PSI
  21. share/cp2k/BASIS_MOLOPT_UCL
  22. share/cp2k/BASIS_MOLOPT_UZH
  23. share/cp2k/BASIS_PERIODIC_GW
  24. share/cp2k/BASIS_RI_MOLOPT
  25. share/cp2k/BASIS_RI_cc-TZ
  26. share/cp2k/BASIS_SET
  27. share/cp2k/BASIS_ZIJLSTRA
  28. share/cp2k/BASIS_ccGRB_UZH
  29. share/cp2k/BASIS_def2_QZVP_RI_ALL
  30. share/cp2k/BASIS_pob
  31. share/cp2k/DFTB/nonscc/bb
  32. share/cp2k/DFTB/nonscc/bc
  33. share/cp2k/DFTB/nonscc/bh
  34. share/cp2k/DFTB/nonscc/bn
  35. share/cp2k/DFTB/nonscc/cb
  36. share/cp2k/DFTB/nonscc/cc
  37. share/cp2k/DFTB/nonscc/cf
  38. share/cp2k/DFTB/nonscc/ch
  39. share/cp2k/DFTB/nonscc/clcl_exp
  40. share/cp2k/DFTB/nonscc/clk_exp
  41. share/cp2k/DFTB/nonscc/clli_exp
  42. share/cp2k/DFTB/nonscc/clna_exp
  43. share/cp2k/DFTB/nonscc/cn
  44. share/cp2k/DFTB/nonscc/co
  45. share/cp2k/DFTB/nonscc/csc
  46. share/cp2k/DFTB/nonscc/csi
  47. share/cp2k/DFTB/nonscc/fc
  48. share/cp2k/DFTB/nonscc/ff
  49. share/cp2k/DFTB/nonscc/fh
  50. share/cp2k/DFTB/nonscc/hb
  51. share/cp2k/DFTB/nonscc/hh
  52. share/cp2k/DFTB/nonscc/hh0
  53. share/cp2k/DFTB/nonscc/kcl_exp
  54. share/cp2k/DFTB/nonscc/kk_exp
  55. share/cp2k/DFTB/nonscc/licl_exp
  56. share/cp2k/DFTB/nonscc/lili_exp
  57. share/cp2k/DFTB/nonscc/momo
  58. share/cp2k/DFTB/nonscc/mos
  59. share/cp2k/DFTB/nonscc/nacl_exp
  60. share/cp2k/DFTB/nonscc/nana_exp
  61. share/cp2k/DFTB/nonscc/nb
  62. share/cp2k/DFTB/nonscc/nbnb
  63. share/cp2k/DFTB/nonscc/nbs
  64. share/cp2k/DFTB/nonscc/nc
  65. share/cp2k/DFTB/nonscc/nh
  66. share/cp2k/DFTB/nonscc/nn
  67. share/cp2k/DFTB/nonscc/no
  68. share/cp2k/DFTB/nonscc/nonscc_parameter
  69. share/cp2k/DFTB/nonscc/nsc
  70. share/cp2k/DFTB/nonscc/nsi
  71. share/cp2k/DFTB/nonscc/oc
  72. share/cp2k/DFTB/nonscc/oh
  73. share/cp2k/DFTB/nonscc/on
  74. share/cp2k/DFTB/nonscc/oo
  75. share/cp2k/DFTB/nonscc/osi
  76. share/cp2k/DFTB/nonscc/osi-d
  77. share/cp2k/DFTB/nonscc/pp
  78. share/cp2k/DFTB/nonscc/scc
  79. share/cp2k/DFTB/nonscc/scn
  80. share/cp2k/DFTB/nonscc/scsc
  81. share/cp2k/DFTB/nonscc/sic
  82. share/cp2k/DFTB/nonscc/sih
  83. share/cp2k/DFTB/nonscc/sih-d
  84. share/cp2k/DFTB/nonscc/sin
  85. share/cp2k/DFTB/nonscc/sio
  86. share/cp2k/DFTB/nonscc/sio-d
  87. share/cp2k/DFTB/nonscc/sisi
  88. share/cp2k/DFTB/nonscc/sisi-d
  89. share/cp2k/DFTB/nonscc/smo
  90. share/cp2k/DFTB/nonscc/snb
  91. share/cp2k/DFTB/nonscc/ss
  92. share/cp2k/DFTB/scc/cc.spl
  93. share/cp2k/DFTB/scc/ch.spl
  94. share/cp2k/DFTB/scc/cn.spl
  95. share/cp2k/DFTB/scc/co.spl
  96. share/cp2k/DFTB/scc/cp.spl
  97. share/cp2k/DFTB/scc/cs.spl
  98. share/cp2k/DFTB/scc/czn.spl
  99. share/cp2k/DFTB/scc/hc.spl
  100. share/cp2k/DFTB/scc/hh.spl
  101. share/cp2k/DFTB/scc/hn.spl
  102. share/cp2k/DFTB/scc/ho.spl
  103. share/cp2k/DFTB/scc/ho_modi.spl
  104. share/cp2k/DFTB/scc/hp.spl
  105. share/cp2k/DFTB/scc/hs.spl
  106. share/cp2k/DFTB/scc/hzn.spl
  107. share/cp2k/DFTB/scc/nc.spl
  108. share/cp2k/DFTB/scc/nh.spl
  109. share/cp2k/DFTB/scc/nn.spl
  110. share/cp2k/DFTB/scc/no.spl
  111. share/cp2k/DFTB/scc/np.spl
  112. share/cp2k/DFTB/scc/ns.spl
  113. share/cp2k/DFTB/scc/nzn.spl
  114. share/cp2k/DFTB/scc/oc.spl
  115. share/cp2k/DFTB/scc/oh.spl
  116. share/cp2k/DFTB/scc/oh_modi.spl
  117. share/cp2k/DFTB/scc/on.spl
  118. share/cp2k/DFTB/scc/oo.spl
  119. share/cp2k/DFTB/scc/oo_modi.spl
  120. share/cp2k/DFTB/scc/op.spl
  121. share/cp2k/DFTB/scc/os.spl
  122. share/cp2k/DFTB/scc/ozn.spl
  123. share/cp2k/DFTB/scc/pc.spl
  124. share/cp2k/DFTB/scc/ph.spl
  125. share/cp2k/DFTB/scc/pn.spl
  126. share/cp2k/DFTB/scc/po.spl
  127. share/cp2k/DFTB/scc/pp.spl
  128. share/cp2k/DFTB/scc/ps.spl
  129. share/cp2k/DFTB/scc/sc.spl
  130. share/cp2k/DFTB/scc/scc_parameter
  131. share/cp2k/DFTB/scc/sh.spl
  132. share/cp2k/DFTB/scc/sn.spl
  133. share/cp2k/DFTB/scc/so.spl
  134. share/cp2k/DFTB/scc/sp.spl
  135. share/cp2k/DFTB/scc/ss.spl
  136. share/cp2k/DFTB/scc/szn.spl
  137. share/cp2k/DFTB/scc/uff_table
  138. share/cp2k/DFTB/scc/znc.spl
  139. share/cp2k/DFTB/scc/znh.spl
  140. share/cp2k/DFTB/scc/znn.spl
  141. share/cp2k/DFTB/scc/zno.spl
  142. share/cp2k/DFTB/scc/zns.spl
  143. share/cp2k/DFTB/scc/znzn.spl
  144. share/cp2k/DFTB/uff_table
  145. share/cp2k/DeePMD/W.pb
  146. share/cp2k/ECP_POTENTIALS
  147. share/cp2k/ECP_POTENTIALS_pob-TZVP-rev2
  148. share/cp2k/EMSL_BASIS_SETS
  149. share/cp2k/GTH_BASIS_SETS
  150. share/cp2k/GTH_POTENTIALS
  151. share/cp2k/GTH_SOC_POTENTIALS
  152. share/cp2k/HFX_BASIS
  153. share/cp2k/HF_POTENTIALS
  154. share/cp2k/LnPP1_POTENTIALS
  155. share/cp2k/LnPP2_POTENTIALS
  156. share/cp2k/MM_POTENTIAL
  157. share/cp2k/NLCC_POTENTIALS
  158. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/README.md
  159. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn
  160. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data
  161. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data
  162. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data
  163. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn
  164. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data
  165. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data
  166. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data
  167. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn
  168. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data
  169. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data
  170. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data
  171. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn
  172. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data
  173. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data
  174. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data
  175. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn
  176. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data
  177. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data
  178. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data
  179. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn
  180. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data
  181. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data
  182. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data
  183. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn
  184. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data
  185. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data
  186. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data
  187. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn
  188. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data
  189. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data
  190. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data
  191. share/cp2k/NequIP/water-deployed-neq060dp.pth
  192. share/cp2k/NequIP/water-deployed-neq060sp.pth
  193. share/cp2k/POTENTIAL
  194. share/cp2k/POTENTIAL_UZH
  195. share/cp2k/README.md
  196. share/cp2k/dftd3.dat
  197. share/cp2k/forcefield_section/H2O/SPC.sec
  198. share/cp2k/forcefield_section/H2O/SPCE.sec
  199. share/cp2k/forcefield_section/H2O/TIP3P.sec
  200. share/cp2k/forcefield_section/H2O/TIP3P_FLEXIBLE.sec
  201. share/cp2k/forcefield_section/UO2/Meis2.sec
  202. share/cp2k/forcefield_section/UO2/Meis2_k4.sec
  203. share/cp2k/forcefield_section/UO2/Morelon.sec
  204. share/cp2k/nm12_parameters.xml
  205. share/cp2k/rVV10_kernel_table.dat
  206. share/cp2k/t_c_g.dat
  207. share/cp2k/t_sh_p_s_c.dat
  208. share/cp2k/vdW_kernel_table.dat
  209. share/cp2k/xTB0_parameters
  210. share/cp2k/xTB1_parameters
  211. share/cp2k/xc_section/CAM-B3LYP.sec
  212. share/cp2k/xc_section/HF-3c.sec
  213. share/cp2k/xc_section/PBE.sec
  214. share/cp2k/xc_section/WB97X_2LP.sec
  215. share/cp2k/xc_section/WB97X_2TQZ.sec
  216. share/cp2k/xc_section/vdW-DF-cx.sec
  217. share/cp2k/xc_section/vdW-DF-cx0p.sec
  218. share/cp2k/xc_section/vdW-DF-optB88.sec
  219. share/cp2k/xc_section/vdW-DF-optPBE.sec
  220. share/cp2k/xc_section/vdW-DF1-C09.sec
  221. share/cp2k/xc_section/vdW-DF1.sec
  222. share/cp2k/xc_section/vdW-DF2-b86r.sec
  223. share/cp2k/xc_section/vdW-DF2.sec
  224. @owner
  225. @group
  226. @mode
Collapse this list.
Dependency lines:
  • cp2k-data>0:science/cp2k-data
To install the port:
cd /usr/ports/science/cp2k-data/ && make install clean
To add the package, run one of these commands:
  • pkg install science/cp2k-data
  • pkg install cp2k-data
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: cp2k-data
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1735891303 SHA256 (cp2k-cp2k-v2025.1_GH0.tar.gz) = 9b58062b9aed51de06cb1248f5dbeab2741962f03eb72c4025b9d0533af1805e SIZE (cp2k-cp2k-v2025.1_GH0.tar.gz) = 87315415

Packages (timestamps in pop-ups are UTC):
cp2k-data
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2025.12025.17.1.02025.12025.1-7.1.0-
FreeBSD:13:quarterly2025.12025.12022.22025.12025.12022.22022.22022.2
FreeBSD:14:latest2025.12025.12022.22025.12025.12022.2-2022.2
FreeBSD:14:quarterly2025.12025.1-2025.12025.12022.22022.22022.2
FreeBSD:15:latest2025.12025.1n/a2025.1n/a2022.22022.22022.2
This port has no dependencies.
This port is required by:
for Run
  1. science/cp2k

Configuration Options:
No options to configure
Options name:
science_cp2k-data
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/cp2k/cp2k/tar.gz/v2025.1?dummy=/
Collapse this list.

Number of commits found: 12

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
2025.1
03 Jan 2025 10:27:39
commit hash: 3ae06db27f5813c7e43d39a53813a90e0e03660acommit hash: 3ae06db27f5813c7e43d39a53813a90e0e03660acommit hash: 3ae06db27f5813c7e43d39a53813a90e0e03660acommit hash: 3ae06db27f5813c7e43d39a53813a90e0e03660a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k{,-data}: update 2024.3 → 2025.1

Reported by:	portscout
2024.3
11 Sep 2024 02:45:59
commit hash: f8aa1411e9a7aeb48bef86f02e0da44acdad82fbcommit hash: f8aa1411e9a7aeb48bef86f02e0da44acdad82fbcommit hash: f8aa1411e9a7aeb48bef86f02e0da44acdad82fbcommit hash: f8aa1411e9a7aeb48bef86f02e0da44acdad82fb files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k{,-data}: update 2024.2 → 2024.3

Reported by:	portscout
2024.2
26 Aug 2024 00:52:25
commit hash: 6405fd21f8be7f408fe376b87481bfb79f6c8a69commit hash: 6405fd21f8be7f408fe376b87481bfb79f6c8a69commit hash: 6405fd21f8be7f408fe376b87481bfb79f6c8a69commit hash: 6405fd21f8be7f408fe376b87481bfb79f6c8a69 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k{,-data}: update 2022.2 → 2024.2
2022.2
05 Oct 2022 22:33:11
commit hash: 4fe4f571669bc823a711e62b88a9d5178f90b720commit hash: 4fe4f571669bc823a711e62b88a9d5178f90b720commit hash: 4fe4f571669bc823a711e62b88a9d5178f90b720commit hash: 4fe4f571669bc823a711e62b88a9d5178f90b720 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k-data: Update 2022.1 -> 2022.2

Reported by:	portscout
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Remove WWW entries moved into port Makefiles

Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.

This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.

Approved by:		portmgr (tcberner)
2022.1
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
Add WWW entries to port Makefiles

It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.

Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.

There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above View all of this commit message)
2022.1
12 Jul 2022 04:10:07
commit hash: c6e5679cbbd9c55ae7ed4c1ddf58f8561541f3decommit hash: c6e5679cbbd9c55ae7ed4c1ddf58f8561541f3decommit hash: c6e5679cbbd9c55ae7ed4c1ddf58f8561541f3decommit hash: c6e5679cbbd9c55ae7ed4c1ddf58f8561541f3de files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k-data: Update 9.1.0 -> 2022.1
9.1.0
24 May 2022 01:34:17
commit hash: d37139d26d5d6be92a60858e4b2336e978b2430dcommit hash: d37139d26d5d6be92a60858e4b2336e978b2430dcommit hash: d37139d26d5d6be92a60858e4b2336e978b2430dcommit hash: d37139d26d5d6be92a60858e4b2336e978b2430d files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/cp2k-data: Update 7.1.0 -> 9.1.0
7.1.0
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
7.1.0
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
7.1.0
25 May 2020 04:00:02
Revision:536433Original commit files touched by this commit
yuri search for other commits by this committer
science/cp2k-data: Update 6.1.0 -> 7.1.0

Reported by:	portscout
6.1.0
06 Apr 2019 16:27:13
Revision:498146Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/cp2k-data: Data for cp2k quantum chemistry package

Number of commits found: 12