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Port details
tinker General purpose molecular modelling package
8.9.4 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 8.9.2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-10-07 00:19:53
Last Update: 2021-09-07 18:22:02
Commit Hash: bb85436
License: TINKER
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (211 items)
Collapse this list.
  1. /usr/local/share/licenses/tinker-8.9.4/catalog.mk
  2. /usr/local/share/licenses/tinker-8.9.4/LICENSE
  3. /usr/local/share/licenses/tinker-8.9.4/TINKER
  4. bin/alchemy
  5. bin/analyze
  6. bin/anneal
  7. bin/archive
  8. bin/bar
  9. bin/correlate
  10. bin/critical
  11. bin/crystal
  12. bin/diffuse
  13. bin/distgeom
  14. bin/document
  15. bin/dynamic
  16. bin/gda
  17. bin/intedit
  18. bin/intxyz
  19. bin/minimize
  20. bin/minirot
  21. bin/minrigid
  22. bin/mol2xyz
  23. bin/molxyz
  24. bin/monte
  25. bin/newton
  26. bin/newtrot
  27. bin/nucleic
  28. bin/optimize
  29. bin/optirot
  30. bin/optrigid
  31. bin/path
  32. bin/pdbxyz
  33. bin/polarize
  34. bin/poledit
  35. bin/potential
  36. bin/prmedit
  37. bin/protein
  38. bin/pss
  39. bin/pssrigid
  40. bin/pssrot
  41. bin/radial
  42. bin/saddle
  43. bin/scan
  44. bin/sniffer
  45. bin/spacefill
  46. bin/spectrum
  47. bin/superpose
  48. bin/testgrad
  49. bin/testhess
  50. bin/testpair
  51. bin/testpol
  52. bin/testrot
  53. bin/testvir
  54. bin/timer
  55. bin/timerot
  56. bin/torsfit
  57. bin/valence
  58. bin/vibbig
  59. bin/vibrate
  60. bin/vibrot
  61. bin/xtalfit
  62. bin/xtalmin
  63. bin/xyzedit
  64. bin/xyzint
  65. bin/xyzmol2
  66. bin/xyzpdb
  67. share/tinker/params/0README
  68. share/tinker/params/amber94.prm
  69. share/tinker/params/amber96.prm
  70. share/tinker/params/amber98.prm
  71. share/tinker/params/amber99.prm
  72. share/tinker/params/amber99sb.prm
  73. share/tinker/params/amoeba04.prm
  74. share/tinker/params/amoeba09.prm
  75. share/tinker/params/amoebabio09.prm
  76. share/tinker/params/amoebabio18.prm
  77. share/tinker/params/amoebanuc17.prm
  78. share/tinker/params/amoebaplus.prm
  79. share/tinker/params/amoebapro04.prm
  80. share/tinker/params/amoebapro13.prm
  81. share/tinker/params/basic.prm
  82. share/tinker/params/charmm19.prm
  83. share/tinker/params/charmm22.prm
  84. share/tinker/params/charmm22cmap.prm
  85. share/tinker/params/dang.prm
  86. share/tinker/params/hippo19.prm
  87. share/tinker/params/hoch.prm
  88. share/tinker/params/iwater.prm
  89. share/tinker/params/mm2.prm
  90. share/tinker/params/mm3.prm
  91. share/tinker/params/mm3pro.prm
  92. share/tinker/params/mmff.prm
  93. share/tinker/params/oplsaa.prm
  94. share/tinker/params/oplsaal.prm
  95. share/tinker/params/oplsua.prm
  96. share/tinker/params/smoothaa.prm
  97. share/tinker/params/smoothua.prm
  98. share/tinker/params/uwater.prm
  99. share/tinker/params/water03.prm
  100. share/tinker/params/water14.prm
  101. share/tinker/params/water21.prm
  102. share/tinker/test/0README
  103. share/tinker/test/anion.dat
  104. share/tinker/test/anion.dyn0
  105. share/tinker/test/anion.key
  106. share/tinker/test/anion.log
  107. share/tinker/test/anion.run
  108. share/tinker/test/anion.xyz
  109. share/tinker/test/argon.1st
  110. share/tinker/test/argon.key
  111. share/tinker/test/argon.log
  112. share/tinker/test/argon.run
  113. share/tinker/test/cluster.dat
  114. share/tinker/test/cluster.key
  115. share/tinker/test/cluster.log
  116. share/tinker/test/cluster.run
  117. share/tinker/test/cluster.xyz
  118. share/tinker/test/crambin.key
  119. share/tinker/test/crambin.log
  120. share/tinker/test/crambin.pdb
  121. share/tinker/test/crambin.run
  122. share/tinker/test/cyclohex.boat
  123. share/tinker/test/cyclohex.chair
  124. share/tinker/test/cyclohex.key
  125. share/tinker/test/cyclohex.log
  126. share/tinker/test/cyclohex.run
  127. share/tinker/test/dhfr.dyn
  128. share/tinker/test/dhfr.key
  129. share/tinker/test/dhfr.log
  130. share/tinker/test/dhfr.run
  131. share/tinker/test/dhfr.xyz
  132. share/tinker/test/dialanine.key
  133. share/tinker/test/dialanine.log
  134. share/tinker/test/dialanine.run
  135. share/tinker/test/dialanine.xyz
  136. share/tinker/test/enkephalin.dat
  137. share/tinker/test/enkephalin.key
  138. share/tinker/test/enkephalin.log
  139. share/tinker/test/enkephalin.run
  140. share/tinker/test/ethanol.000
  141. share/tinker/test/ethanol.020
  142. share/tinker/test/ethanol.040
  143. share/tinker/test/ethanol.060
  144. share/tinker/test/ethanol.080
  145. share/tinker/test/ethanol.100
  146. share/tinker/test/ethanol.120
  147. share/tinker/test/ethanol.140
  148. share/tinker/test/ethanol.160
  149. share/tinker/test/ethanol.180
  150. share/tinker/test/ethanol.dat
  151. share/tinker/test/ethanol.key
  152. share/tinker/test/ethanol.log
  153. share/tinker/test/ethanol.run
  154. share/tinker/test/ethanol.xyz
  155. share/tinker/test/formamide.cell
  156. share/tinker/test/formamide.dat
  157. share/tinker/test/formamide.key
  158. share/tinker/test/formamide.log
  159. share/tinker/test/formamide.run
  160. share/tinker/test/gpcr.blk
  161. share/tinker/test/gpcr.key
  162. share/tinker/test/gpcr.log
  163. share/tinker/test/gpcr.run
  164. share/tinker/test/gpcr.xyz
  165. share/tinker/test/helix.1st
  166. share/tinker/test/helix.key
  167. share/tinker/test/helix.log
  168. share/tinker/test/helix.run
  169. share/tinker/test/ice.key
  170. share/tinker/test/ice.log
  171. share/tinker/test/ice.run
  172. share/tinker/test/ice.xyz
  173. share/tinker/test/ifabp.dat
  174. share/tinker/test/ifabp.key
  175. share/tinker/test/ifabp.log
  176. share/tinker/test/ifabp.run
  177. share/tinker/test/ifabp.xyz
  178. share/tinker/test/liquid.amoeba
  179. share/tinker/test/liquid.aplus
  180. share/tinker/test/liquid.hippo
  181. share/tinker/test/liquid.kamoeba
  182. share/tinker/test/liquid.kaplus
  183. share/tinker/test/liquid.khippo
  184. share/tinker/test/liquid.log
  185. share/tinker/test/liquid.run
  186. share/tinker/test/methanol.dat
  187. share/tinker/test/methanol.dma
  188. share/tinker/test/methanol.key
  189. share/tinker/test/methanol.log
  190. share/tinker/test/methanol.run
  191. share/tinker/test/nitrogen.arc
  192. share/tinker/test/nitrogen.key
  193. share/tinker/test/nitrogen.log
  194. share/tinker/test/nitrogen.run
  195. share/tinker/test/nitrogen.xyz
  196. share/tinker/test/polyala.dat
  197. share/tinker/test/polyala.key
  198. share/tinker/test/polyala.log
  199. share/tinker/test/polyala.run
  200. share/tinker/test/salt.cell
  201. share/tinker/test/salt.key
  202. share/tinker/test/salt.log
  203. share/tinker/test/salt.run
  204. share/tinker/test/water.key
  205. share/tinker/test/water.log
  206. share/tinker/test/water.pot
  207. share/tinker/test/water.run
  208. share/tinker/test/water.xyz
  209. @owner
  210. @group
  211. @mode
Collapse this list.
Dependency lines:
  • tinker>0:science/tinker
To install the port: cd /usr/ports/science/tinker/ && make install clean
A package is not available for ports marked as: Forbidden / Broken / Ignore / Restricted
PKGNAME: there is no package for this port: _LICENSE_RESTRICTED = delete-package delete-distfiles
Flavors: there is no flavor information for this port.
distinfo:
No package information for this port in our database

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran10 : lang/gcc10
  2. gmake>=4.3 : devel/gmake
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran10 : lang/gcc10
Library dependencies:
  1. libfftw3.so : math/fftw3
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

pkg-message:
If installing:
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://dasher.wustl.edu/tinker/downloads/
Collapse this list.
Port Moves
  • port moved here from biology/tinker on 2018-10-06
    REASON: Move to proper category

Number of commits found: 17

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
07 Sep 2021 18:22:02
 files touched by this commit commit hash:bb854369b19e197c7dc65ca0847f41cf5c78f9f9  8.9.4
yuri search for other commits by this committer
science/tinker: Update 8.9.3 -> 8.9.4

Reported by:	tinker
15 Aug 2021 19:33:59
 files touched by this commit commit hash:c93ac040ab79a11a6545700841962bd666593b7a  8.9.3
yuri search for other commits by this committer
science/tinker: Update 8.9.2 -> 8.9.3

Reported by:	portscout
05 Aug 2021 22:16:23
 files touched by this commit commit hash:5c0a5cfae919456cc1d667d312f0590f8296aad1  8.9.2
yuri search for other commits by this committer
science/tinker: Update 8.9.1 -> 8.9.2

Reported by:	portscout
13 May 2021 23:42:00
 files touched by this commit commit hash:787986542265d73c9bf89573cbb53acfd59ba635  8.9.1
yuri search for other commits by this committer
science/tinker: Update 8.8.3 -> 8.9.1

Reported by:	portscout
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  8.8.3
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
10 Nov 2020 22:54:53
Original commit files touched by this commit Revision:554859  8.8.3
yuri search for other commits by this committer
science/tinker: Update 8.8.1 -> 8.8.3
17 Aug 2020 20:37:47
Original commit files touched by this commit Revision:545188  8.8.1
yuri search for other commits by this committer
science/tinker: Update 8.7.2 -> 8.8.1

Reported by:	portscout
29 Nov 2019 07:44:52
Original commit files touched by this commit Revision:518632  8.7.2
yuri search for other commits by this committer
science/tinker: Update 8.7.1 -> 8.7.2

Reported by:	portscout
14 Aug 2019 12:16:13
Original commit files touched by this commit Revision:508909  8.7.1_1
mat search for other commits by this committer
Convert to UCL & cleanup pkg-message (categories s)
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  8.7.1_1
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
14 Jul 2019 00:34:53
Original commit files touched by this commit Revision:506582  8.7.1
yuri search for other commits by this committer
science/tinker: Update 8.6.1 -> 8.7.1

Reported by:	portscout
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  8.6.1_1
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
16 Mar 2019 15:50:33
Original commit files touched by this commit Revision:495890  8.6.1
yuri search for other commits by this committer
science/tinker: Update 8.5.3 -> 8.6.1

Move Makefile sections to proper places to pet portlint.

Reported by:	portscout
16 Jan 2019 04:36:12
Original commit files touched by this commit Revision:490442  8.5.3
yuri search for other commits by this committer
science/tinker: Update 8.4.4 -> 8.5.3

Reported by:	portscout
21 Dec 2018 01:11:00
Original commit files touched by this commit Revision:487934  8.4.4_2
yuri search for other commits by this committer
science/tinker: Fix build on non-Intel architectures by adding SSE flags based
on architecture

PR:		234223
Reported by:	Piotr Kubaj <pkubaj@anongoth.pl>
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  8.4.4_1
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
07 Oct 2018 00:19:22
Original commit files touched by this commit Revision:481406  8.4.4
yuri search for other commits by this committer
biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/

Port changes:
* Take maintainership
* Implement the 'benchmarks' target, and stop installing benchmarks
* Add USES=gmake
* Update license
* Change MASTER_SITES and WWW to https
* Silence some commands

Number of commits found: 17