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Port details
tinker General purpose molecular modelling package
8.7.1_1 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 8.6.1Version 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: 2019-08-14 13:16:13
SVN Revision: 508909
License: TINKER
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (193 items)
  1. /usr/local/share/licenses/tinker-8.7.1_1/catalog.mk
  2. /usr/local/share/licenses/tinker-8.7.1_1/LICENSE
  3. /usr/local/share/licenses/tinker-8.7.1_1/TINKER
  4. bin/alchemy
  5. bin/analyze
  6. bin/anneal
  7. bin/archive
  8. bin/bar
  9. bin/correlate
  10. bin/crystal
  11. bin/diffuse
  12. bin/distgeom
  13. bin/document
  14. bin/dynamic
  15. bin/gda
  16. bin/intedit
  17. bin/intxyz
  18. bin/minimize
  19. bin/minirot
  20. bin/minrigid
  21. bin/mol2xyz
  22. bin/molxyz
  23. bin/monte
  24. bin/newton
  25. bin/newtrot
  26. bin/nucleic
  27. bin/optimize
  28. bin/optirot
  29. bin/optrigid
  30. bin/path
  31. bin/pdbxyz
  32. bin/polarize
  33. bin/poledit
  34. bin/potential
  35. bin/prmedit
  36. bin/protein
  37. bin/pss
  38. bin/pssrigid
  39. bin/pssrot
  40. bin/radial
  41. bin/saddle
  42. bin/scan
  43. bin/sniffer
  44. bin/spacefill
  45. bin/spectrum
  46. bin/superpose
  47. bin/testgrad
  48. bin/testhess
  49. bin/testpair
  50. bin/testpol
  51. bin/testrot
  52. bin/testvir
  53. bin/timer
  54. bin/timerot
  55. bin/torsfit
  56. bin/valence
  57. bin/vibbig
  58. bin/vibrate
  59. bin/vibrot
  60. bin/xtalfit
  61. bin/xtalmin
  62. bin/xyzedit
  63. bin/xyzint
  64. bin/xyzmol2
  65. bin/xyzpdb
  66. share/tinker/params/0README
  67. share/tinker/params/amber94.prm
  68. share/tinker/params/amber96.prm
  69. share/tinker/params/amber98.prm
  70. share/tinker/params/amber99.prm
  71. share/tinker/params/amber99sb.prm
  72. share/tinker/params/amoeba04.prm
  73. share/tinker/params/amoeba09.prm
  74. share/tinker/params/amoebabio09.prm
  75. share/tinker/params/amoebabio18.prm
  76. share/tinker/params/amoebanuc17.prm
  77. share/tinker/params/amoebaplus.prm
  78. share/tinker/params/amoebapro04.prm
  79. share/tinker/params/amoebapro13.prm
  80. share/tinker/params/charmm19.prm
  81. share/tinker/params/charmm22.prm
  82. share/tinker/params/charmm22cmap.prm
  83. share/tinker/params/dang.prm
  84. share/tinker/params/hippo19.prm
  85. share/tinker/params/hoch.prm
  86. share/tinker/params/iwater.prm
  87. share/tinker/params/mm2.prm
  88. share/tinker/params/mm3.prm
  89. share/tinker/params/mm3pro.prm
  90. share/tinker/params/mmff.prm
  91. share/tinker/params/oplsaa.prm
  92. share/tinker/params/oplsaal.prm
  93. share/tinker/params/oplsua.prm
  94. share/tinker/params/smoothaa.prm
  95. share/tinker/params/smoothua.prm
  96. share/tinker/params/tiny.prm
  97. share/tinker/params/water03.prm
  98. share/tinker/params/water14.prm
  99. share/tinker/params/water19.prm
  100. share/tinker/test/0README
  101. share/tinker/test/anion.dat
  102. share/tinker/test/anion.dyn0
  103. share/tinker/test/anion.key
  104. share/tinker/test/anion.log
  105. share/tinker/test/anion.run
  106. share/tinker/test/anion.xyz
  107. share/tinker/test/argon.1st
  108. share/tinker/test/argon.key
  109. share/tinker/test/argon.log
  110. share/tinker/test/argon.run
  111. share/tinker/test/cluster.dat
  112. share/tinker/test/cluster.key
  113. share/tinker/test/cluster.log
  114. share/tinker/test/cluster.run
  115. share/tinker/test/cluster.xyz
  116. share/tinker/test/crambin.key
  117. share/tinker/test/crambin.log
  118. share/tinker/test/crambin.pdb
  119. share/tinker/test/crambin.run
  120. share/tinker/test/cyclohex.boat
  121. share/tinker/test/cyclohex.chair
  122. share/tinker/test/cyclohex.key
  123. share/tinker/test/cyclohex.log
  124. share/tinker/test/cyclohex.run
  125. share/tinker/test/dhfr.dyn
  126. share/tinker/test/dhfr.key
  127. share/tinker/test/dhfr.log
  128. share/tinker/test/dhfr.run
  129. share/tinker/test/dhfr.xyz
  130. share/tinker/test/dialanine.key
  131. share/tinker/test/dialanine.log
  132. share/tinker/test/dialanine.run
  133. share/tinker/test/dialanine.xyz
  134. share/tinker/test/enkephalin.dat
  135. share/tinker/test/enkephalin.key
  136. share/tinker/test/enkephalin.log
  137. share/tinker/test/enkephalin.run
  138. share/tinker/test/ethanol.000
  139. share/tinker/test/ethanol.020
  140. share/tinker/test/ethanol.040
  141. share/tinker/test/ethanol.060
  142. share/tinker/test/ethanol.080
  143. share/tinker/test/ethanol.100
  144. share/tinker/test/ethanol.120
  145. share/tinker/test/ethanol.140
  146. share/tinker/test/ethanol.160
  147. share/tinker/test/ethanol.180
  148. share/tinker/test/ethanol.dat
  149. share/tinker/test/ethanol.key
  150. share/tinker/test/ethanol.log
  151. share/tinker/test/ethanol.run
  152. share/tinker/test/ethanol.xyz
  153. share/tinker/test/formamide.cell
  154. share/tinker/test/formamide.dat
  155. share/tinker/test/formamide.key
  156. share/tinker/test/formamide.log
  157. share/tinker/test/formamide.run
  158. share/tinker/test/gpcr.blk
  159. share/tinker/test/gpcr.key
  160. share/tinker/test/gpcr.log
  161. share/tinker/test/gpcr.run
  162. share/tinker/test/gpcr.xyz
  163. share/tinker/test/helix.1st
  164. share/tinker/test/helix.key
  165. share/tinker/test/helix.log
  166. share/tinker/test/helix.run
  167. share/tinker/test/ice.key
  168. share/tinker/test/ice.log
  169. share/tinker/test/ice.run
  170. share/tinker/test/ice.xyz
  171. share/tinker/test/ifabp.dat
  172. share/tinker/test/ifabp.key
  173. share/tinker/test/ifabp.log
  174. share/tinker/test/ifabp.run
  175. share/tinker/test/ifabp.xyz
  176. share/tinker/test/nitrogen.arc
  177. share/tinker/test/nitrogen.key
  178. share/tinker/test/nitrogen.log
  179. share/tinker/test/nitrogen.run
  180. share/tinker/test/nitrogen.xyz
  181. share/tinker/test/salt.cell
  182. share/tinker/test/salt.key
  183. share/tinker/test/salt.log
  184. share/tinker/test/salt.run
  185. share/tinker/test/tetraala.dat
  186. share/tinker/test/tetraala.key
  187. share/tinker/test/tetraala.log
  188. share/tinker/test/tetraala.run
  189. share/tinker/test/water.key
  190. share/tinker/test/water.log
  191. share/tinker/test/water.pot
  192. share/tinker/test/water.run
  193. share/tinker/test/water.xyz
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:

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran9 : lang/gcc9
  2. gmake : devel/gmake
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran9 : lang/gcc9
Library dependencies:
  1. libfftw3.so : math/fftw3
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://dasher.wustl.edu/tinker/downloads/
Port Moves
  • port moved here from biology/tinker on 2018-10-06
    REASON: Move to proper category

Number of commits found: 9

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
14 Aug 2019 12:16:13
Original commit files touched by this commit  8.7.1_1
Revision:508909
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  8.7.1_1
Revision:507372
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  8.7.1
Revision:506582
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  8.6.1_1
Revision:499638
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  8.6.1
Revision:495890
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  8.5.3
Revision:490442
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  8.4.4_2
Revision:487934
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  8.4.4_1
Revision:487272
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  8.4.4
Revision:481406
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: 9

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