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Port details
cp2k-data Data for cp2k quantum chemistry package
2022.2 science on this many watch lists=0 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 2022.2Version 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: 2022-10-05 22:33:11
Commit Hash: 4fe4f57
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 (203 items)
Collapse this list.
  1. /usr/local/share/licenses/cp2k-data-2022.2/catalog.mk
  2. /usr/local/share/licenses/cp2k-data-2022.2/LICENSE
  3. /usr/local/share/licenses/cp2k-data-2022.2/GPLv2+
  4. share/cp2k/ALL_BASIS_SETS
  5. share/cp2k/ALL_POTENTIALS
  6. share/cp2k/AcPP1_POTENTIALS
  7. share/cp2k/BASIS_ADMM
  8. share/cp2k/BASIS_ADMM_MOLOPT
  9. share/cp2k/BASIS_ADMM_UZH
  10. share/cp2k/BASIS_LRIGPW_AUXMOLOPT
  11. share/cp2k/BASIS_MINIX
  12. share/cp2k/BASIS_MOLOPT
  13. share/cp2k/BASIS_MOLOPT_AcPP1
  14. share/cp2k/BASIS_MOLOPT_LnPP1
  15. share/cp2k/BASIS_MOLOPT_UCL
  16. share/cp2k/BASIS_MOLOPT_UZH
  17. share/cp2k/BASIS_RI_cc-TZ
  18. share/cp2k/BASIS_SET
  19. share/cp2k/BASIS_ZIJLSTRA
  20. share/cp2k/BASIS_ccGRB_UZH
  21. share/cp2k/BASIS_def2_QZVP_RI_ALL
  22. share/cp2k/BASIS_pob
  23. share/cp2k/DFTB/nonscc/bb
  24. share/cp2k/DFTB/nonscc/bc
  25. share/cp2k/DFTB/nonscc/bh
  26. share/cp2k/DFTB/nonscc/bn
  27. share/cp2k/DFTB/nonscc/cb
  28. share/cp2k/DFTB/nonscc/cc
  29. share/cp2k/DFTB/nonscc/cf
  30. share/cp2k/DFTB/nonscc/ch
  31. share/cp2k/DFTB/nonscc/clcl_exp
  32. share/cp2k/DFTB/nonscc/clk_exp
  33. share/cp2k/DFTB/nonscc/clli_exp
  34. share/cp2k/DFTB/nonscc/clna_exp
  35. share/cp2k/DFTB/nonscc/cn
  36. share/cp2k/DFTB/nonscc/co
  37. share/cp2k/DFTB/nonscc/csc
  38. share/cp2k/DFTB/nonscc/csi
  39. share/cp2k/DFTB/nonscc/fc
  40. share/cp2k/DFTB/nonscc/ff
  41. share/cp2k/DFTB/nonscc/fh
  42. share/cp2k/DFTB/nonscc/hb
  43. share/cp2k/DFTB/nonscc/hh
  44. share/cp2k/DFTB/nonscc/hh0
  45. share/cp2k/DFTB/nonscc/kcl_exp
  46. share/cp2k/DFTB/nonscc/kk_exp
  47. share/cp2k/DFTB/nonscc/licl_exp
  48. share/cp2k/DFTB/nonscc/lili_exp
  49. share/cp2k/DFTB/nonscc/momo
  50. share/cp2k/DFTB/nonscc/mos
  51. share/cp2k/DFTB/nonscc/nacl_exp
  52. share/cp2k/DFTB/nonscc/nana_exp
  53. share/cp2k/DFTB/nonscc/nb
  54. share/cp2k/DFTB/nonscc/nbnb
  55. share/cp2k/DFTB/nonscc/nbs
  56. share/cp2k/DFTB/nonscc/nc
  57. share/cp2k/DFTB/nonscc/nh
  58. share/cp2k/DFTB/nonscc/nn
  59. share/cp2k/DFTB/nonscc/no
  60. share/cp2k/DFTB/nonscc/nonscc_parameter
  61. share/cp2k/DFTB/nonscc/nsc
  62. share/cp2k/DFTB/nonscc/nsi
  63. share/cp2k/DFTB/nonscc/oc
  64. share/cp2k/DFTB/nonscc/oh
  65. share/cp2k/DFTB/nonscc/on
  66. share/cp2k/DFTB/nonscc/oo
  67. share/cp2k/DFTB/nonscc/osi
  68. share/cp2k/DFTB/nonscc/osi-d
  69. share/cp2k/DFTB/nonscc/pp
  70. share/cp2k/DFTB/nonscc/scc
  71. share/cp2k/DFTB/nonscc/scn
  72. share/cp2k/DFTB/nonscc/scsc
  73. share/cp2k/DFTB/nonscc/sic
  74. share/cp2k/DFTB/nonscc/sih
  75. share/cp2k/DFTB/nonscc/sih-d
  76. share/cp2k/DFTB/nonscc/sin
  77. share/cp2k/DFTB/nonscc/sio
  78. share/cp2k/DFTB/nonscc/sio-d
  79. share/cp2k/DFTB/nonscc/sisi
  80. share/cp2k/DFTB/nonscc/sisi-d
  81. share/cp2k/DFTB/nonscc/smo
  82. share/cp2k/DFTB/nonscc/snb
  83. share/cp2k/DFTB/nonscc/ss
  84. share/cp2k/DFTB/scc/cc.spl
  85. share/cp2k/DFTB/scc/ch.spl
  86. share/cp2k/DFTB/scc/cn.spl
  87. share/cp2k/DFTB/scc/co.spl
  88. share/cp2k/DFTB/scc/cp.spl
  89. share/cp2k/DFTB/scc/cs.spl
  90. share/cp2k/DFTB/scc/czn.spl
  91. share/cp2k/DFTB/scc/hc.spl
  92. share/cp2k/DFTB/scc/hh.spl
  93. share/cp2k/DFTB/scc/hn.spl
  94. share/cp2k/DFTB/scc/ho.spl
  95. share/cp2k/DFTB/scc/ho_modi.spl
  96. share/cp2k/DFTB/scc/hp.spl
  97. share/cp2k/DFTB/scc/hs.spl
  98. share/cp2k/DFTB/scc/hzn.spl
  99. share/cp2k/DFTB/scc/nc.spl
  100. share/cp2k/DFTB/scc/nh.spl
  101. share/cp2k/DFTB/scc/nn.spl
  102. share/cp2k/DFTB/scc/no.spl
  103. share/cp2k/DFTB/scc/np.spl
  104. share/cp2k/DFTB/scc/ns.spl
  105. share/cp2k/DFTB/scc/nzn.spl
  106. share/cp2k/DFTB/scc/oc.spl
  107. share/cp2k/DFTB/scc/oh.spl
  108. share/cp2k/DFTB/scc/oh_modi.spl
  109. share/cp2k/DFTB/scc/on.spl
  110. share/cp2k/DFTB/scc/oo.spl
  111. share/cp2k/DFTB/scc/oo_modi.spl
  112. share/cp2k/DFTB/scc/op.spl
  113. share/cp2k/DFTB/scc/os.spl
  114. share/cp2k/DFTB/scc/ozn.spl
  115. share/cp2k/DFTB/scc/pc.spl
  116. share/cp2k/DFTB/scc/ph.spl
  117. share/cp2k/DFTB/scc/pn.spl
  118. share/cp2k/DFTB/scc/po.spl
  119. share/cp2k/DFTB/scc/pp.spl
  120. share/cp2k/DFTB/scc/ps.spl
  121. share/cp2k/DFTB/scc/sc.spl
  122. share/cp2k/DFTB/scc/scc_parameter
  123. share/cp2k/DFTB/scc/sh.spl
  124. share/cp2k/DFTB/scc/sn.spl
  125. share/cp2k/DFTB/scc/so.spl
  126. share/cp2k/DFTB/scc/sp.spl
  127. share/cp2k/DFTB/scc/ss.spl
  128. share/cp2k/DFTB/scc/szn.spl
  129. share/cp2k/DFTB/scc/uff_table
  130. share/cp2k/DFTB/scc/znc.spl
  131. share/cp2k/DFTB/scc/znh.spl
  132. share/cp2k/DFTB/scc/znn.spl
  133. share/cp2k/DFTB/scc/zno.spl
  134. share/cp2k/DFTB/scc/zns.spl
  135. share/cp2k/DFTB/scc/znzn.spl
  136. share/cp2k/DFTB/uff_table
  137. share/cp2k/ECP_POTENTIALS
  138. share/cp2k/EMSL_BASIS_SETS
  139. share/cp2k/GTH_BASIS_SETS
  140. share/cp2k/GTH_POTENTIALS
  141. share/cp2k/HFX_BASIS
  142. share/cp2k/HF_POTENTIALS
  143. share/cp2k/LnPP1_POTENTIALS
  144. share/cp2k/MM_POTENTIAL
  145. share/cp2k/NLCC_POTENTIALS
  146. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/README.md
  147. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn
  148. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data
  149. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data
  150. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data
  151. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn
  152. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data
  153. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data
  154. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data
  155. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn
  156. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data
  157. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data
  158. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data
  159. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn
  160. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data
  161. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data
  162. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data
  163. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn
  164. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data
  165. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data
  166. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data
  167. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn
  168. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data
  169. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data
  170. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data
  171. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn
  172. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data
  173. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data
  174. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data
  175. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn
  176. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data
  177. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data
  178. share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data
  179. share/cp2k/POTENTIAL
  180. share/cp2k/POTENTIAL_UZH
  181. share/cp2k/README.md
  182. share/cp2k/dftd3.dat
  183. share/cp2k/nm12_parameters.xml
  184. share/cp2k/rVV10_kernel_table.dat
  185. share/cp2k/t_c_g.dat
  186. share/cp2k/t_sh_p_s_c.dat
  187. share/cp2k/vdW_kernel_table.dat
  188. share/cp2k/xTB_parameters
  189. share/cp2k/xc_section/HF-3c.sec
  190. share/cp2k/xc_section/PBE.sec
  191. share/cp2k/xc_section/WB97X_2LP.sec
  192. share/cp2k/xc_section/WB97X_2TQZ.sec
  193. share/cp2k/xc_section/vdW-DF-cx.sec
  194. share/cp2k/xc_section/vdW-DF-cx0p.sec
  195. share/cp2k/xc_section/vdW-DF-optB88.sec
  196. share/cp2k/xc_section/vdW-DF-optPBE.sec
  197. share/cp2k/xc_section/vdW-DF1-C09.sec
  198. share/cp2k/xc_section/vdW-DF1.sec
  199. share/cp2k/xc_section/vdW-DF2-b86r.sec
  200. share/cp2k/xc_section/vdW-DF2.sec
  201. @owner
  202. @group
  203. @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 = 1665004647 SHA256 (cp2k-cp2k-v2022.2_GH0.tar.gz) = bad6662a62dba067004a78671e183cbf2a052df3cb06c670e9b2594bbea2e341 SIZE (cp2k-cp2k-v2022.2_GH0.tar.gz) = 76914155

Packages (timestamps in pop-ups are UTC):
cp2k-data
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2022.22022.27.1.02022.22022.2-7.1.0-
FreeBSD:13:quarterly2022.22022.22022.22022.22022.22022.22022.22022.2
FreeBSD:14:latest2022.22022.22022.22022.22022.22022.2-2022.2
FreeBSD:14:quarterly2022.22022.2-2022.22022.22022.22022.22022.2
FreeBSD:15:latest2022.22022.2n/a2022.2n/a2022.22022.22022.2
FreeBSD:15:quarterly--n/a-n/a---
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/v2022.2?dummy=/
Collapse this list.

Number of commits found: 9

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
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: 9