notbugAs an Amazon Associate I earn from qualifying purchases.
Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15)
Want a good monitor light? See my photosAll times are UTC
Ukraine
This referral link gives you 10% off a Fastmail.com account and gives me a discount on my Fastmail account.

Get notified when packages are built

A new feature has been added. FreshPorts already tracks package built by the FreeBSD project. This information is displayed on each port page. You can now get an email when FreshPorts notices a new package is available for something on one of your watch lists. However, you must opt into that. Click on Report Subscriptions on the right, and New Package Notification box, and click on Update.

Finally, under Watch Lists, click on ABI Package Subscriptions to select your ABI (e.g. FreeBSD:14:amd64) & package set (latest/quarterly) combination for a given watch list. This is what FreshPorts will look for.

Port details
dirac Program for atomic & molecular relativistic all-electron calculations
22.0_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 22.0_2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-08-11 07:48:23
Last Update: 2024-04-27 07:53:00
Commit Hash: 5783434
License: LGPL21
WWW:
http://diracprogram.org/doku.php
Description:
The DIRAC program computes molecular properties using relativistic quantum chemical methods. It is named after P.A.M. Dirac, the father of relativistic electronic structure theory.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (752 items)
Collapse this list.
  1. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/catalog.mk
  2. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/LICENSE
  3. /usr/local/share/licenses/dirac-quantum-chemistry-software-22.0_2/LGPL21
  4. bin/pam-dirac
  5. share/dirac/DIRACschema.txt
  6. share/dirac/GIT_HASH
  7. share/dirac/VERSION
  8. share/dirac/basis/MOLFDIR/Dyall.basis/As.acvdz.bas
  9. share/dirac/basis/MOLFDIR/Dyall.basis/As.acvdz.nr.bas
  10. share/dirac/basis/MOLFDIR/Dyall.basis/As.arvdz.bas
  11. share/dirac/basis/MOLFDIR/Dyall.basis/As.arvdz.nr.bas
  12. share/dirac/basis/MOLFDIR/Dyall.basis/As.avdz.bas
  13. share/dirac/basis/MOLFDIR/Dyall.basis/As.avdz.nr.bas
  14. share/dirac/basis/MOLFDIR/Dyall.basis/As.cvdz.bas
  15. share/dirac/basis/MOLFDIR/Dyall.basis/As.cvdz.nr.bas
  16. share/dirac/basis/MOLFDIR/Dyall.basis/As.rvdz.bas
  17. share/dirac/basis/MOLFDIR/Dyall.basis/As.rvdz.nr.bas
  18. share/dirac/basis/MOLFDIR/Dyall.basis/As.vdz.bas
  19. share/dirac/basis/MOLFDIR/Dyall.basis/As.vdz.nr.bas
  20. share/dirac/basis/MOLFDIR/Dyall.basis/At.acvdz.bas
  21. share/dirac/basis/MOLFDIR/Dyall.basis/At.acvdz.nr.bas
  22. share/dirac/basis/MOLFDIR/Dyall.basis/At.arvdz.bas
  23. share/dirac/basis/MOLFDIR/Dyall.basis/At.arvdz.nr.bas
  24. share/dirac/basis/MOLFDIR/Dyall.basis/At.avdz.bas
  25. share/dirac/basis/MOLFDIR/Dyall.basis/At.avdz.nr.bas
  26. share/dirac/basis/MOLFDIR/Dyall.basis/At.cvdz.bas
  27. share/dirac/basis/MOLFDIR/Dyall.basis/At.cvdz.nr.bas
  28. share/dirac/basis/MOLFDIR/Dyall.basis/At.rvdz.bas
  29. share/dirac/basis/MOLFDIR/Dyall.basis/At.rvdz.nr.bas
  30. share/dirac/basis/MOLFDIR/Dyall.basis/At.vdz.bas
  31. share/dirac/basis/MOLFDIR/Dyall.basis/At.vdz.nr.bas
  32. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.acvdz.bas
  33. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.acvdz.nr.bas
  34. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.arvdz.bas
  35. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.arvdz.nr.bas
  36. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.avdz.bas
  37. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.avdz.nr.bas
  38. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.cvdz.bas
  39. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.cvdz.nr.bas
  40. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.rvdz.bas
  41. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.rvdz.nr.bas
  42. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.vdz.bas
  43. share/dirac/basis/MOLFDIR/Dyall.basis/Bi.vdz.nr.bas
  44. share/dirac/basis/MOLFDIR/Dyall.basis/Br.accpvdz.bas
  45. share/dirac/basis/MOLFDIR/Dyall.basis/Br.acvdz.bas
  46. share/dirac/basis/MOLFDIR/Dyall.basis/Br.acvdz.nr.bas
  47. share/dirac/basis/MOLFDIR/Dyall.basis/Br.arvdz.bas
  48. share/dirac/basis/MOLFDIR/Dyall.basis/Br.arvdz.nr.bas
  49. share/dirac/basis/MOLFDIR/Dyall.basis/Br.avdz.bas
  50. share/dirac/basis/MOLFDIR/Dyall.basis/Br.avdz.nr.bas
  51. share/dirac/basis/MOLFDIR/Dyall.basis/Br.ccpvdz.bas
  52. share/dirac/basis/MOLFDIR/Dyall.basis/Br.cvdz.bas
  53. share/dirac/basis/MOLFDIR/Dyall.basis/Br.cvdz.nr.bas
  54. share/dirac/basis/MOLFDIR/Dyall.basis/Br.rvdz.bas
  55. share/dirac/basis/MOLFDIR/Dyall.basis/Br.rvdz.nr.bas
  56. share/dirac/basis/MOLFDIR/Dyall.basis/Br.vdz.bas
  57. share/dirac/basis/MOLFDIR/Dyall.basis/Br.vdz.nr.bas
  58. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.acvdz.bas
  59. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.acvdz.nr.bas
  60. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.arvdz.bas
  61. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.arvdz.nr.bas
  62. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.avdz.bas
  63. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.avdz.nr.bas
  64. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.cvdz.bas
  65. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.cvdz.nr.bas
  66. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.cvtz.bas
  67. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.cvtz.nr.bas
  68. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.rvdz.bas
  69. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.rvdz.nr.bas
  70. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.vdz.bas
  71. share/dirac/basis/MOLFDIR/Dyall.basis/Ga.vdz.nr.bas
  72. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.acvdz.bas
  73. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.acvdz.nr.bas
  74. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.arvdz.bas
  75. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.arvdz.nr.bas
  76. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.avdz.bas
  77. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.avdz.nr.bas
  78. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.cvdz.bas
  79. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.cvdz.nr.bas
  80. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.rvdz.bas
  81. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.rvdz.nr.bas
  82. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.vdz.bas
  83. share/dirac/basis/MOLFDIR/Dyall.basis/Ge.vdz.nr.bas
  84. share/dirac/basis/MOLFDIR/Dyall.basis/I.acvdz.bas
  85. share/dirac/basis/MOLFDIR/Dyall.basis/I.acvdz.nr.bas
  86. share/dirac/basis/MOLFDIR/Dyall.basis/I.arvdz.bas
  87. share/dirac/basis/MOLFDIR/Dyall.basis/I.arvdz.nr.bas
  88. share/dirac/basis/MOLFDIR/Dyall.basis/I.avdz.bas
  89. share/dirac/basis/MOLFDIR/Dyall.basis/I.avdz.nr.bas
  90. share/dirac/basis/MOLFDIR/Dyall.basis/I.cvdz.bas
  91. share/dirac/basis/MOLFDIR/Dyall.basis/I.cvdz.nr.bas
  92. share/dirac/basis/MOLFDIR/Dyall.basis/I.rvdz.bas
  93. share/dirac/basis/MOLFDIR/Dyall.basis/I.rvdz.nr.bas
  94. share/dirac/basis/MOLFDIR/Dyall.basis/I.vdz.bas
  95. share/dirac/basis/MOLFDIR/Dyall.basis/I.vdz.nr.bas
  96. share/dirac/basis/MOLFDIR/Dyall.basis/In.acvdz.bas
  97. share/dirac/basis/MOLFDIR/Dyall.basis/In.acvdz.nr.bas
  98. share/dirac/basis/MOLFDIR/Dyall.basis/In.arvdz.bas
  99. share/dirac/basis/MOLFDIR/Dyall.basis/In.arvdz.nr.bas
  100. share/dirac/basis/MOLFDIR/Dyall.basis/In.avdz.bas
  101. share/dirac/basis/MOLFDIR/Dyall.basis/In.avdz.nr.bas
  102. share/dirac/basis/MOLFDIR/Dyall.basis/In.cvdz.bas
  103. share/dirac/basis/MOLFDIR/Dyall.basis/In.cvdz.nr.bas
  104. share/dirac/basis/MOLFDIR/Dyall.basis/In.rvdz.bas
  105. share/dirac/basis/MOLFDIR/Dyall.basis/In.rvdz.nr.bas
  106. share/dirac/basis/MOLFDIR/Dyall.basis/In.vdz.bas
  107. share/dirac/basis/MOLFDIR/Dyall.basis/In.vdz.nr.bas
  108. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.acvdz.bas
  109. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.acvdz.nr.bas
  110. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.arvdz.bas
  111. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.arvdz.nr.bas
  112. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.avdz.bas
  113. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.avdz.nr.bas
  114. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.cvdz.bas
  115. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.cvdz.nr.bas
  116. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.rvdz.bas
  117. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.rvdz.nr.bas
  118. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.vdz.bas
  119. share/dirac/basis/MOLFDIR/Dyall.basis/Pb.vdz.nr.bas
  120. share/dirac/basis/MOLFDIR/Dyall.basis/Po.acvdz.bas
  121. share/dirac/basis/MOLFDIR/Dyall.basis/Po.acvdz.nr.bas
  122. share/dirac/basis/MOLFDIR/Dyall.basis/Po.arvdz.bas
  123. share/dirac/basis/MOLFDIR/Dyall.basis/Po.arvdz.nr.bas
  124. share/dirac/basis/MOLFDIR/Dyall.basis/Po.avdz.bas
  125. share/dirac/basis/MOLFDIR/Dyall.basis/Po.avdz.nr.bas
  126. share/dirac/basis/MOLFDIR/Dyall.basis/Po.cvdz.bas
  127. share/dirac/basis/MOLFDIR/Dyall.basis/Po.cvdz.nr.bas
  128. share/dirac/basis/MOLFDIR/Dyall.basis/Po.rvdz.bas
  129. share/dirac/basis/MOLFDIR/Dyall.basis/Po.rvdz.nr.bas
  130. share/dirac/basis/MOLFDIR/Dyall.basis/Po.vdz.bas
  131. share/dirac/basis/MOLFDIR/Dyall.basis/Po.vdz.nr.bas
  132. share/dirac/basis/MOLFDIR/Dyall.basis/README
  133. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.acvdz.bas
  134. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.acvdz.nr.bas
  135. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.arvdz.bas
  136. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.arvdz.nr.bas
  137. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.avdz.bas
  138. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.avdz.nr.bas
  139. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.cvdz.bas
  140. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.cvdz.nr.bas
  141. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.rvdz.bas
  142. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.rvdz.nr.bas
  143. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.vdz.bas
  144. share/dirac/basis/MOLFDIR/Dyall.basis/Sb.vdz.nr.bas
  145. share/dirac/basis/MOLFDIR/Dyall.basis/Se.acvdz.bas
  146. share/dirac/basis/MOLFDIR/Dyall.basis/Se.acvdz.nr.bas
  147. share/dirac/basis/MOLFDIR/Dyall.basis/Se.arvdz.bas
  148. share/dirac/basis/MOLFDIR/Dyall.basis/Se.arvdz.nr.bas
  149. share/dirac/basis/MOLFDIR/Dyall.basis/Se.avdz.bas
  150. share/dirac/basis/MOLFDIR/Dyall.basis/Se.avdz.nr.bas
  151. share/dirac/basis/MOLFDIR/Dyall.basis/Se.cvdz.bas
  152. share/dirac/basis/MOLFDIR/Dyall.basis/Se.cvdz.nr.bas
  153. share/dirac/basis/MOLFDIR/Dyall.basis/Se.rvdz.bas
  154. share/dirac/basis/MOLFDIR/Dyall.basis/Se.rvdz.nr.bas
  155. share/dirac/basis/MOLFDIR/Dyall.basis/Se.vdz.bas
  156. share/dirac/basis/MOLFDIR/Dyall.basis/Se.vdz.nr.bas
  157. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.acvdz.bas
  158. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.acvdz.nr.bas
  159. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.arvdz.bas
  160. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.arvdz.nr.bas
  161. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.avdz.bas
  162. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.avdz.nr.bas
  163. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.cvdz.bas
  164. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.cvdz.nr.bas
  165. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.rvdz.bas
  166. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.rvdz.nr.bas
  167. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.vdz.bas
  168. share/dirac/basis/MOLFDIR/Dyall.basis/Sn.vdz.nr.bas
  169. share/dirac/basis/MOLFDIR/Dyall.basis/Te.acvdz.bas
  170. share/dirac/basis/MOLFDIR/Dyall.basis/Te.acvdz.nr.bas
  171. share/dirac/basis/MOLFDIR/Dyall.basis/Te.arvdz.bas
  172. share/dirac/basis/MOLFDIR/Dyall.basis/Te.arvdz.nr.bas
  173. share/dirac/basis/MOLFDIR/Dyall.basis/Te.avdz.bas
  174. share/dirac/basis/MOLFDIR/Dyall.basis/Te.avdz.nr.bas
  175. share/dirac/basis/MOLFDIR/Dyall.basis/Te.cvdz.bas
  176. share/dirac/basis/MOLFDIR/Dyall.basis/Te.cvdz.nr.bas
  177. share/dirac/basis/MOLFDIR/Dyall.basis/Te.rvdz.bas
  178. share/dirac/basis/MOLFDIR/Dyall.basis/Te.rvdz.nr.bas
  179. share/dirac/basis/MOLFDIR/Dyall.basis/Te.vdz.bas
  180. share/dirac/basis/MOLFDIR/Dyall.basis/Te.vdz.nr.bas
  181. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.acvdz.bas
  182. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.acvdz.nr.bas
  183. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.arvdz.bas
  184. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.arvdz.nr.bas
  185. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.avdz.bas
  186. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.avdz.nr.bas
  187. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.cvdz.bas
  188. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.cvdz.nr.bas
  189. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.rvdz.bas
  190. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.rvdz.nr.bas
  191. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.vdz.bas
  192. share/dirac/basis/MOLFDIR/Dyall.basis/Tl.vdz.nr.bas
  193. share/dirac/basis/MOLFDIR/PtH/H_31.bas
  194. share/dirac/basis/MOLFDIR/PtH/PT_CI.bas
  195. share/dirac/basis/MOLFDIR/PtH/README
  196. share/dirac/basis/MOLFDIR/README
  197. share/dirac/basis/MOLFDIR/accpvdz/At.apvdz.bas
  198. share/dirac/basis/MOLFDIR/accpvdz/At.apvdz.nr.bas
  199. share/dirac/basis/MOLFDIR/accpvdz/Br.sp-apvdz.bas
  200. share/dirac/basis/MOLFDIR/accpvdz/Br.sp-apvdz.nr.bas
  201. share/dirac/basis/MOLFDIR/accpvdz/Cl.accpvdz.bas
  202. share/dirac/basis/MOLFDIR/accpvdz/Cl.accpvdz.nr.bas
  203. share/dirac/basis/MOLFDIR/accpvdz/F.p-accpvdz.bas
  204. share/dirac/basis/MOLFDIR/accpvdz/F.p-accpvdz.nr.bas
  205. share/dirac/basis/MOLFDIR/accpvdz/H.accpvdz.bas
  206. share/dirac/basis/MOLFDIR/accpvdz/H.accpvdz.nr.bas
  207. share/dirac/basis/MOLFDIR/accpvdz/I.sp-apvdz.bas
  208. share/dirac/basis/MOLFDIR/accpvdz/I.sp-apvdz.nr.bas
  209. share/dirac/basis/MOLFDIR/accpvdz/README
  210. share/dirac/basis/MOLFDIR/accpvtz/Al.accpvtz.bas
  211. share/dirac/basis/MOLFDIR/accpvtz/Al.accpvtz.nr.bas
  212. share/dirac/basis/MOLFDIR/accpvtz/At.apvtz.bas
  213. share/dirac/basis/MOLFDIR/accpvtz/At.apvtz.nr.bas
  214. share/dirac/basis/MOLFDIR/accpvtz/Br.sp-apvtz.bas
  215. share/dirac/basis/MOLFDIR/accpvtz/Br.sp-apvtz.nr.bas
  216. share/dirac/basis/MOLFDIR/accpvtz/Cl.accpvtz.bas
  217. share/dirac/basis/MOLFDIR/accpvtz/Cl.accpvtz.nr.bas
  218. share/dirac/basis/MOLFDIR/accpvtz/F.accpvtz.nr.bas
  219. share/dirac/basis/MOLFDIR/accpvtz/F.p-accpvtz.bas
  220. share/dirac/basis/MOLFDIR/accpvtz/H.accpvtz.bas
  221. share/dirac/basis/MOLFDIR/accpvtz/H.accpvtz.nr.bas
  222. share/dirac/basis/MOLFDIR/accpvtz/I.apvtz.nr.bas
  223. share/dirac/basis/MOLFDIR/accpvtz/I.sp-apvtz.bas
  224. share/dirac/basis/MOLFDIR/accpvtz/O.p-accpvtz.bas
  225. share/dirac/basis/MOLFDIR/accpvtz/README
  226. share/dirac/basis/MOLFDIR/accpvtz/Si.accpvtz.nr.bas
  227. share/dirac/basis/MOLFDIR/ccpvdz/At.pvdz.bas
  228. share/dirac/basis/MOLFDIR/ccpvdz/At.pvdz.nr.bas
  229. share/dirac/basis/MOLFDIR/ccpvdz/Br.sp-pvdz.bas
  230. share/dirac/basis/MOLFDIR/ccpvdz/Br.sp-pvdz.nr.bas
  231. share/dirac/basis/MOLFDIR/ccpvdz/Cl.ccpvdz.bas
  232. share/dirac/basis/MOLFDIR/ccpvdz/Cl.ccpvdz.nr.bas
  233. share/dirac/basis/MOLFDIR/ccpvdz/F.p-ccpvdz.bas
  234. share/dirac/basis/MOLFDIR/ccpvdz/F.p-ccpvdz.nr.bas
  235. share/dirac/basis/MOLFDIR/ccpvdz/H.ccpvdz.bas
  236. share/dirac/basis/MOLFDIR/ccpvdz/I.sp-pvdz.bas
  237. share/dirac/basis/MOLFDIR/ccpvdz/I.sp-pvdz.nr.bas
  238. share/dirac/basis/MOLFDIR/ccpvdz/O.ccpvdz.bas
  239. share/dirac/basis/MOLFDIR/ccpvdz/README
  240. share/dirac/basis/MOLFDIR/ccpvtz/At.pvtz.bas
  241. share/dirac/basis/MOLFDIR/ccpvtz/At.pvtz.nr.bas
  242. share/dirac/basis/MOLFDIR/ccpvtz/Br.sp-pvtz.bas
  243. share/dirac/basis/MOLFDIR/ccpvtz/Br.sp-pvtz.nr.bas
  244. share/dirac/basis/MOLFDIR/ccpvtz/Cl.ccpvtz.bas
  245. share/dirac/basis/MOLFDIR/ccpvtz/F.ccpvtz.nr.bas
  246. share/dirac/basis/MOLFDIR/ccpvtz/F.p-ccpvtz.bas
  247. share/dirac/basis/MOLFDIR/ccpvtz/I.pvtz.nr.bas
  248. share/dirac/basis/MOLFDIR/ccpvtz/I.sp-pvtz.bas
  249. share/dirac/basis/MOLFDIR/ccpvtz/README
  250. share/dirac/basis/RPF-4Z
  251. share/dirac/basis/SCRPOT
  252. share/dirac/basis/SCRPOT_2016
  253. share/dirac/basis/SCRPOT_large
  254. share/dirac/basis/SCRPOT_small
  255. share/dirac/basis/Vaara-NMRbas
  256. share/dirac/basis/aug-RPF-4Z
  257. share/dirac/basis/aug-XeRn.dcv3z
  258. share/dirac/basis/aug-XeRn.dcv4z
  259. share/dirac/basis/deprecated/DIRAC04/Dyall.pvdz.unc
  260. share/dirac/basis/deprecated/DIRAC04/Dyall.pvqz.unc
  261. share/dirac/basis/deprecated/DIRAC04/Dyall.pvtz.unc
  262. share/dirac/basis/deprecated/DIRAC08/dyall.acv2z
  263. share/dirac/basis/deprecated/DIRAC08/dyall.acv3z
  264. share/dirac/basis/deprecated/DIRAC08/dyall.acv4z
  265. share/dirac/basis/deprecated/DIRAC08/dyall.av2z
  266. share/dirac/basis/deprecated/DIRAC08/dyall.av3z
  267. share/dirac/basis/deprecated/DIRAC08/dyall.av4z
  268. share/dirac/basis/deprecated/DIRAC08/dyall.cv2z
  269. share/dirac/basis/deprecated/DIRAC08/dyall.cv3z
  270. share/dirac/basis/deprecated/DIRAC08/dyall.cv4z
  271. share/dirac/basis/deprecated/DIRAC08/dyall.v2z
  272. share/dirac/basis/deprecated/DIRAC08/dyall.v3z
  273. share/dirac/basis/deprecated/DIRAC08/dyall.v4z
  274. share/dirac/basis/deprecated/DIRAC10-12/dyall.acv2z
  275. share/dirac/basis/deprecated/DIRAC10-12/dyall.acv3z
  276. share/dirac/basis/deprecated/DIRAC10-12/dyall.acv4z
  277. share/dirac/basis/deprecated/DIRAC10-12/dyall.av2z
  278. share/dirac/basis/deprecated/DIRAC10-12/dyall.av3z
  279. share/dirac/basis/deprecated/DIRAC10-12/dyall.av4z
  280. share/dirac/basis/deprecated/DIRAC10-12/dyall.cv2z
  281. share/dirac/basis/deprecated/DIRAC10-12/dyall.cv3z
  282. share/dirac/basis/deprecated/DIRAC10-12/dyall.cv4z
  283. share/dirac/basis/deprecated/DIRAC10-12/dyall.v2z
  284. share/dirac/basis/deprecated/DIRAC10-12/dyall.v3z
  285. share/dirac/basis/deprecated/DIRAC10-12/dyall.v4z
  286. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.2z
  287. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.3z
  288. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.4z
  289. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.5z
  290. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.6z
  291. share/dirac/basis/deprecated/DIRAC10-12/dyall_1s2.7z
  292. share/dirac/basis/deprecated/README
  293. share/dirac/basis/dyall.2zp
  294. share/dirac/basis/dyall.3zp
  295. share/dirac/basis/dyall.4zp
  296. share/dirac/basis/dyall.aae2z
  297. share/dirac/basis/dyall.aae3z
  298. share/dirac/basis/dyall.aae4z
  299. share/dirac/basis/dyall.acv2z
  300. share/dirac/basis/dyall.acv3z
  301. share/dirac/basis/dyall.acv4z
  302. share/dirac/basis/dyall.ae2z
  303. share/dirac/basis/dyall.ae3z
  304. share/dirac/basis/dyall.ae4z
  305. share/dirac/basis/dyall.av2z
  306. share/dirac/basis/dyall.av3z
  307. share/dirac/basis/dyall.av4z
  308. share/dirac/basis/dyall.cv2z
  309. share/dirac/basis/dyall.cv3z
  310. share/dirac/basis/dyall.cv4z
  311. share/dirac/basis/dyall.v2z
  312. share/dirac/basis/dyall.v3z
  313. share/dirac/basis/dyall.v4z
  314. share/dirac/basis/dyall_1s2.2z
  315. share/dirac/basis/dyall_1s2.3z
  316. share/dirac/basis/dyall_1s2.4z
  317. share/dirac/basis/dyall_1s2.5z
  318. share/dirac/basis/dyall_1s2.6z
  319. share/dirac/basis/dyall_1s2.7z
  320. share/dirac/basis/reference_edited/4d_dz_archive
  321. share/dirac/basis/reference_edited/4d_qz_archive
  322. share/dirac/basis/reference_edited/4d_tz_archive
  323. share/dirac/basis/reference_edited/4f_dz_archive
  324. share/dirac/basis/reference_edited/4f_qz_archive
  325. share/dirac/basis/reference_edited/4f_tz_archive
  326. share/dirac/basis/reference_edited/4p_dz_archive
  327. share/dirac/basis/reference_edited/4p_qz_archive
  328. share/dirac/basis/reference_edited/4p_tz_archive
  329. share/dirac/basis/reference_edited/4s_dz_archive
  330. share/dirac/basis/reference_edited/4s_qz_archive
  331. share/dirac/basis/reference_edited/4s_tz_archive
  332. share/dirac/basis/reference_edited/5d_dz_archive
  333. share/dirac/basis/reference_edited/5d_qz_archive
  334. share/dirac/basis/reference_edited/5d_tz_archive
  335. share/dirac/basis/reference_edited/5f_dz_archive
  336. share/dirac/basis/reference_edited/5f_qz_archive
  337. share/dirac/basis/reference_edited/5f_tz_archive
  338. share/dirac/basis/reference_edited/5p_dz_archive
  339. share/dirac/basis/reference_edited/5p_qz_archive
  340. share/dirac/basis/reference_edited/5p_tz_archive
  341. share/dirac/basis/reference_edited/5s_dz_archive
  342. share/dirac/basis/reference_edited/5s_qz_archive
  343. share/dirac/basis/reference_edited/5s_tz_archive
  344. share/dirac/basis/reference_edited/6d_dz_archive
  345. share/dirac/basis/reference_edited/6d_qz_archive
  346. share/dirac/basis/reference_edited/6d_tz_archive
  347. share/dirac/basis/reference_edited/6p_dz_archive
  348. share/dirac/basis/reference_edited/6p_qz_archive
  349. share/dirac/basis/reference_edited/6p_tz_archive
  350. share/dirac/basis/reference_edited/6s_dz_archive
  351. share/dirac/basis/reference_edited/6s_qz_archive
  352. share/dirac/basis/reference_edited/6s_tz_archive
  353. share/dirac/basis/reference_edited/7p_dz_archive
  354. share/dirac/basis/reference_edited/7p_qz_archive
  355. share/dirac/basis/reference_edited/7p_tz_archive
  356. share/dirac/basis/reference_edited/7s_dz_archive
  357. share/dirac/basis/reference_edited/7s_qz_archive
  358. share/dirac/basis/reference_edited/7s_tz_archive
  359. share/dirac/basis/reference_edited/Dyall.dz
  360. share/dirac/basis/reference_edited/Dyall.dz.diffuse
  361. share/dirac/basis/reference_edited/Dyall.qz
  362. share/dirac/basis/reference_edited/Dyall.tz
  363. share/dirac/basis/reference_edited/Dyall.tz.diffuse
  364. share/dirac/basis/reference_edited/Faegri.dz
  365. share/dirac/basis/reference_edited/README
  366. share/dirac/basis/reference_edited/dyall.acv2z
  367. share/dirac/basis/reference_edited/dyall.acv3z
  368. share/dirac/basis/reference_edited/dyall.acv4z
  369. share/dirac/basis/reference_edited/dyall.av2z
  370. share/dirac/basis/reference_edited/dyall.av3z
  371. share/dirac/basis/reference_edited/dyall.av4z
  372. share/dirac/basis/reference_edited/dyall.cv2z
  373. share/dirac/basis/reference_edited/dyall.cv3z
  374. share/dirac/basis/reference_edited/dyall.cv4z
  375. share/dirac/basis/reference_edited/dyall.v2z
  376. share/dirac/basis/reference_edited/dyall.v3z
  377. share/dirac/basis/reference_edited/dyall.v4z
  378. share/dirac/basis/reference_unedited/4d_dz_archive
  379. share/dirac/basis/reference_unedited/4d_qz_archive
  380. share/dirac/basis/reference_unedited/4d_tz_archive
  381. share/dirac/basis/reference_unedited/4f_dz_archive
  382. share/dirac/basis/reference_unedited/4f_qz_archive
  383. share/dirac/basis/reference_unedited/4f_tz_archive
  384. share/dirac/basis/reference_unedited/4p_dz_archive
  385. share/dirac/basis/reference_unedited/4p_qz_archive
  386. share/dirac/basis/reference_unedited/4p_tz_archive
  387. share/dirac/basis/reference_unedited/4s_dz_archive
  388. share/dirac/basis/reference_unedited/4s_qz_archive
  389. share/dirac/basis/reference_unedited/4s_tz_archive
  390. share/dirac/basis/reference_unedited/5d_dz_archive
  391. share/dirac/basis/reference_unedited/5d_qz_archive
  392. share/dirac/basis/reference_unedited/5d_tz_archive
  393. share/dirac/basis/reference_unedited/5f_dz_archive
  394. share/dirac/basis/reference_unedited/5f_qz_archive
  395. share/dirac/basis/reference_unedited/5f_tz_archive
  396. share/dirac/basis/reference_unedited/5p_dz_archive
  397. share/dirac/basis/reference_unedited/5p_qz_archive
  398. share/dirac/basis/reference_unedited/5p_tz_archive
  399. share/dirac/basis/reference_unedited/5s_dz_archive
  400. share/dirac/basis/reference_unedited/5s_qz_archive
  401. share/dirac/basis/reference_unedited/5s_tz_archive
  402. share/dirac/basis/reference_unedited/6d_dz_archive
  403. share/dirac/basis/reference_unedited/6d_qz_archive
  404. share/dirac/basis/reference_unedited/6d_tz_archive
  405. share/dirac/basis/reference_unedited/6p_dz_archive
  406. share/dirac/basis/reference_unedited/6p_qz_archive
  407. share/dirac/basis/reference_unedited/6p_tz_archive
  408. share/dirac/basis/reference_unedited/6s_dz_archive
  409. share/dirac/basis/reference_unedited/6s_qz_archive
  410. share/dirac/basis/reference_unedited/6s_tz_archive
  411. share/dirac/basis/reference_unedited/7p_dz_archive
  412. share/dirac/basis/reference_unedited/7p_qz_archive
  413. share/dirac/basis/reference_unedited/7p_tz_archive
  414. share/dirac/basis/reference_unedited/7s_dz_archive
  415. share/dirac/basis/reference_unedited/7s_qz_archive
  416. share/dirac/basis/reference_unedited/7s_tz_archive
  417. share/dirac/basis/reference_unedited/Dyall.dz
  418. share/dirac/basis/reference_unedited/Dyall.tz
  419. share/dirac/basis/reference_unedited/Dyall_5d.dz
  420. share/dirac/basis/reference_unedited/Dyall_5d.qz
  421. share/dirac/basis/reference_unedited/Dyall_5d.tz
  422. share/dirac/basis/reference_unedited/Dyall_6p.qz
  423. share/dirac/basis/reference_unedited/Faegri.dz
  424. share/dirac/basis/reference_unedited/fetch_archives.sh
  425. share/dirac/basis/ucc-pVQZ-DK3
  426. share/dirac/basis/ucc-pVTZ-DK3
  427. share/dirac/basis_dalton/3-21++G
  428. share/dirac/basis_dalton/3-21++G-star
  429. share/dirac/basis_dalton/3-21G
  430. share/dirac/basis_dalton/3-21G-star
  431. share/dirac/basis_dalton/4-31G
  432. share/dirac/basis_dalton/6-31++G
  433. share/dirac/basis_dalton/6-31++G-star
  434. share/dirac/basis_dalton/6-31++G-star-star
  435. share/dirac/basis_dalton/6-31+G
  436. share/dirac/basis_dalton/6-31+G-star
  437. share/dirac/basis_dalton/6-311++G(2d,2p)
  438. share/dirac/basis_dalton/6-311++G(3df,3pd)
  439. share/dirac/basis_dalton/6-311++G-star-star
  440. share/dirac/basis_dalton/6-311+G-star
  441. share/dirac/basis_dalton/6-311G
  442. share/dirac/basis_dalton/6-311G(2df,2pd)
  443. share/dirac/basis_dalton/6-311G-star
  444. share/dirac/basis_dalton/6-311G-star-star
  445. share/dirac/basis_dalton/6-31G
  446. share/dirac/basis_dalton/6-31G(3df,3pd)
  447. share/dirac/basis_dalton/6-31G-star
  448. share/dirac/basis_dalton/6-31G-star-star
  449. share/dirac/basis_dalton/ANO-DK3
  450. share/dirac/basis_dalton/ANO-RCC
  451. share/dirac/basis_dalton/Ahlrichs-Coulomb-Fit
  452. share/dirac/basis_dalton/Ahlrichs-TZV
  453. share/dirac/basis_dalton/Ahlrichs-VDZ
  454. share/dirac/basis_dalton/Ahlrichs-VTZ
  455. share/dirac/basis_dalton/Ahlrichs-pVDZ
  456. share/dirac/basis_dalton/Almlof-Taylor-ANO
  457. share/dirac/basis_dalton/DZ(Dunning)
  458. share/dirac/basis_dalton/DZ+Rydberg(Dunning)
  459. share/dirac/basis_dalton/DZP(Dunning)
  460. share/dirac/basis_dalton/DZP+Diffuse(Dunning)
  461. share/dirac/basis_dalton/DZP+Rydberg(Dunning)
  462. share/dirac/basis_dalton/GAMESS-PVTZ
  463. share/dirac/basis_dalton/GAMESS-VTZ
  464. share/dirac/basis_dalton/Huckel
  465. share/dirac/basis_dalton/Huz-II
  466. share/dirac/basis_dalton/Huz-III
  467. share/dirac/basis_dalton/Huz-IIIsu3
  468. share/dirac/basis_dalton/Huz-IIsu2
  469. share/dirac/basis_dalton/Huz-IV
  470. share/dirac/basis_dalton/Huz-IVsu4
  471. share/dirac/basis_dalton/MINI(Huzinaga)
  472. share/dirac/basis_dalton/MINI(Scaled)
  473. share/dirac/basis_dalton/McLean-Chandler-VTZ
  474. share/dirac/basis_dalton/NASA-Ames-ANO
  475. share/dirac/basis_dalton/NQvD
  476. share/dirac/basis_dalton/SARC-DKH
  477. share/dirac/basis_dalton/STO-2G
  478. share/dirac/basis_dalton/STO-3G
  479. share/dirac/basis_dalton/STO-6G
  480. share/dirac/basis_dalton/SV(Dunning-Hay)
  481. share/dirac/basis_dalton/SV+DoubleRydberg(Dunning-Hay)
  482. share/dirac/basis_dalton/SV+Rydberg(Dunning-Hay)
  483. share/dirac/basis_dalton/SVP(Dunning-Hay)
  484. share/dirac/basis_dalton/SVP+Diffuse(Dunning-Hay)
  485. share/dirac/basis_dalton/Sadlej-pVTZ
  486. share/dirac/basis_dalton/Sadlej-pVTZ-J
  487. share/dirac/basis_dalton/TZ(Dunning)
  488. share/dirac/basis_dalton/TZVPP-MP2-fit
  489. share/dirac/basis_dalton/Turbomole-DZ
  490. share/dirac/basis_dalton/Turbomole-DZP
  491. share/dirac/basis_dalton/Turbomole-Jfit-Xe
  492. share/dirac/basis_dalton/Turbomole-QZV
  493. share/dirac/basis_dalton/Turbomole-QZVP
  494. share/dirac/basis_dalton/Turbomole-QZVPP
  495. share/dirac/basis_dalton/Turbomole-SV
  496. share/dirac/basis_dalton/Turbomole-SVP
  497. share/dirac/basis_dalton/Turbomole-TZ
  498. share/dirac/basis_dalton/Turbomole-TZP
  499. share/dirac/basis_dalton/Turbomole-TZV
  500. share/dirac/basis_dalton/Turbomole-TZV2P
  501. share/dirac/basis_dalton/Turbomole-TZVP
  502. share/dirac/basis_dalton/Turbomole-TZVPP
  503. share/dirac/basis_dalton/Turbomole-TZVPPP
  504. share/dirac/basis_dalton/Wachtersa+f
  505. share/dirac/basis_dalton/ano-1
  506. share/dirac/basis_dalton/ano-2
  507. share/dirac/basis_dalton/ano-3
  508. share/dirac/basis_dalton/ano-4
  509. share/dirac/basis_dalton/apc-0
  510. share/dirac/basis_dalton/apc-1
  511. share/dirac/basis_dalton/apc-2
  512. share/dirac/basis_dalton/apc-3
  513. share/dirac/basis_dalton/apc-4
  514. share/dirac/basis_dalton/aug-cc-pCV5Z
  515. share/dirac/basis_dalton/aug-cc-pCVDZ
  516. share/dirac/basis_dalton/aug-cc-pCVQZ
  517. share/dirac/basis_dalton/aug-cc-pCVTZ
  518. share/dirac/basis_dalton/aug-cc-pCVTZ-CTOCD-uc
  519. share/dirac/basis_dalton/aug-cc-pV(5+d)Z
  520. share/dirac/basis_dalton/aug-cc-pV(6+d)Z
  521. share/dirac/basis_dalton/aug-cc-pV(D+d)Z
  522. share/dirac/basis_dalton/aug-cc-pV(Q+d)Z
  523. share/dirac/basis_dalton/aug-cc-pV(T+d)Z
  524. share/dirac/basis_dalton/aug-cc-pV5Z
  525. share/dirac/basis_dalton/aug-cc-pV5Z-DK
  526. share/dirac/basis_dalton/aug-cc-pV5Z-MP2-fit
  527. share/dirac/basis_dalton/aug-cc-pV6Z
  528. share/dirac/basis_dalton/aug-cc-pV6Z-MP2-fit
  529. share/dirac/basis_dalton/aug-cc-pVDZ
  530. share/dirac/basis_dalton/aug-cc-pVDZ-DK
  531. share/dirac/basis_dalton/aug-cc-pVDZ-MP2-fit
  532. share/dirac/basis_dalton/aug-cc-pVQZ
  533. share/dirac/basis_dalton/aug-cc-pVQZ-DK
  534. share/dirac/basis_dalton/aug-cc-pVQZ-MP2-fit
  535. share/dirac/basis_dalton/aug-cc-pVTZ
  536. share/dirac/basis_dalton/aug-cc-pVTZ-DK
  537. share/dirac/basis_dalton/aug-cc-pVTZ-J
  538. share/dirac/basis_dalton/aug-cc-pVTZ-MP2-fit
  539. share/dirac/basis_dalton/aug-pV7Z
  540. share/dirac/basis_dalton/aug-pc-0_emsl
  541. share/dirac/basis_dalton/aug-pc-1_emsl
  542. share/dirac/basis_dalton/aug-pc-2_emsl
  543. share/dirac/basis_dalton/aug-pc-3_emsl
  544. share/dirac/basis_dalton/aug-pc-4_emsl
  545. share/dirac/basis_dalton/aug-pcseg-0
  546. share/dirac/basis_dalton/aug-pcseg-1
  547. share/dirac/basis_dalton/aug-pcseg-2
  548. share/dirac/basis_dalton/aug-pcseg-3
  549. share/dirac/basis_dalton/aug-pcseg-4
  550. share/dirac/basis_dalton/cc-pCV5Z
  551. share/dirac/basis_dalton/cc-pCVDZ
  552. share/dirac/basis_dalton/cc-pCVQZ
  553. share/dirac/basis_dalton/cc-pCVTZ
  554. share/dirac/basis_dalton/cc-pV(5+d)Z
  555. share/dirac/basis_dalton/cc-pV(6+d)Z
  556. share/dirac/basis_dalton/cc-pV(D+d)Z
  557. share/dirac/basis_dalton/cc-pV(Q+d)Z
  558. share/dirac/basis_dalton/cc-pV(T+d)Z
  559. share/dirac/basis_dalton/cc-pV5Z
  560. share/dirac/basis_dalton/cc-pV5Z-DK
  561. share/dirac/basis_dalton/cc-pV5Z-MP2-fit
  562. share/dirac/basis_dalton/cc-pV5Zdenfit
  563. share/dirac/basis_dalton/cc-pV6Z
  564. share/dirac/basis_dalton/cc-pV6Z-MP2-fit
  565. share/dirac/basis_dalton/cc-pVDZ
  566. share/dirac/basis_dalton/cc-pVDZ-DK
  567. share/dirac/basis_dalton/cc-pVDZ-DK3
  568. share/dirac/basis_dalton/cc-pVDZ-MP2-fit
  569. share/dirac/basis_dalton/cc-pVQZ
  570. share/dirac/basis_dalton/cc-pVQZ-DK
  571. share/dirac/basis_dalton/cc-pVQZ-DK3
  572. share/dirac/basis_dalton/cc-pVQZ-MP2-fit
  573. share/dirac/basis_dalton/cc-pVQZdenfit
  574. share/dirac/basis_dalton/cc-pVTZ
  575. share/dirac/basis_dalton/cc-pVTZ-DK
  576. share/dirac/basis_dalton/cc-pVTZ-DK3
  577. share/dirac/basis_dalton/cc-pVTZ-MP2-fit
  578. share/dirac/basis_dalton/cc-pVTZdenfit
  579. share/dirac/basis_dalton/cc-pwCV5Z
  580. share/dirac/basis_dalton/cc-pwCV5Z-DK
  581. share/dirac/basis_dalton/cc-pwCVDZ
  582. share/dirac/basis_dalton/cc-pwCVQZ
  583. share/dirac/basis_dalton/cc-pwCVQZ-DK
  584. share/dirac/basis_dalton/cc-pwCVTZ
  585. share/dirac/basis_dalton/cc-pwCVTZ-DK
  586. share/dirac/basis_dalton/def2_qzvp
  587. share/dirac/basis_dalton/def2_sv_p
  588. share/dirac/basis_dalton/def2_svp
  589. share/dirac/basis_dalton/def2_tzvp
  590. share/dirac/basis_dalton/ecp-sdd-DZ
  591. share/dirac/basis_dalton/ecp-sdd-pseudo
  592. share/dirac/basis_dalton/pV6Z
  593. share/dirac/basis_dalton/pV7Z
  594. share/dirac/basis_dalton/pc-0
  595. share/dirac/basis_dalton/pc-0_emsl
  596. share/dirac/basis_dalton/pc-1
  597. share/dirac/basis_dalton/pc-1_emsl
  598. share/dirac/basis_dalton/pc-2
  599. share/dirac/basis_dalton/pc-2_emsl
  600. share/dirac/basis_dalton/pc-3
  601. share/dirac/basis_dalton/pc-3_emsl
  602. share/dirac/basis_dalton/pc-4
  603. share/dirac/basis_dalton/pc-4_emsl
  604. share/dirac/basis_dalton/pcS-0
  605. share/dirac/basis_dalton/pcS-1
  606. share/dirac/basis_dalton/pcS-2
  607. share/dirac/basis_dalton/pcS-3
  608. share/dirac/basis_dalton/pcS-4
  609. share/dirac/basis_dalton/pcseg-0
  610. share/dirac/basis_dalton/pcseg-1
  611. share/dirac/basis_dalton/pcseg-2
  612. share/dirac/basis_dalton/pcseg-3
  613. share/dirac/basis_dalton/pcseg-4
  614. share/dirac/basis_dalton/raf-r
  615. share/dirac/basis_ecp/ECPCE10SF
  616. share/dirac/basis_ecp/ECPCE10SO
  617. share/dirac/basis_ecp/ECPCE18SF
  618. share/dirac/basis_ecp/ECPCE18SO
  619. share/dirac/basis_ecp/ECPCE28SF
  620. share/dirac/basis_ecp/ECPCE28SO
  621. share/dirac/basis_ecp/ECPCE2SF
  622. share/dirac/basis_ecp/ECPCE2SO
  623. share/dirac/basis_ecp/ECPCE36SF
  624. share/dirac/basis_ecp/ECPCE36SO
  625. share/dirac/basis_ecp/ECPCE46SF
  626. share/dirac/basis_ecp/ECPCE46SO
  627. share/dirac/basis_ecp/ECPCE46_TZ
  628. share/dirac/basis_ecp/ECPCE60SF
  629. share/dirac/basis_ecp/ECPCE60SO
  630. share/dirac/basis_ecp/ECPCE68SF
  631. share/dirac/basis_ecp/ECPCE68SO
  632. share/dirac/basis_ecp/ECPDS10MDFSF
  633. share/dirac/basis_ecp/ECPDS10MDFSO
  634. share/dirac/basis_ecp/ECPDS10MHFSF
  635. share/dirac/basis_ecp/ECPDS10MWBSF
  636. share/dirac/basis_ecp/ECPDS10SDFSF
  637. share/dirac/basis_ecp/ECPDS18MHFSF
  638. share/dirac/basis_ecp/ECPDS18MWBSF
  639. share/dirac/basis_ecp/ECPDS18SDFSF
  640. share/dirac/basis_ecp/ECPDS18SHFSF
  641. share/dirac/basis_ecp/ECPDS28MDFSF
  642. share/dirac/basis_ecp/ECPDS28MDFSO
  643. share/dirac/basis_ecp/ECPDS28MHFSF
  644. share/dirac/basis_ecp/ECPDS28MWBSF
  645. share/dirac/basis_ecp/ECPDS28MWBSO
  646. share/dirac/basis_ecp/ECPDS28SDFSF
  647. share/dirac/basis_ecp/ECPDS28SHFSF
  648. share/dirac/basis_ecp/ECPDS2MHFSF
  649. share/dirac/basis_ecp/ECPDS2MWBSF
  650. share/dirac/basis_ecp/ECPDS2SDFSF
  651. share/dirac/basis_ecp/ECPDS36MWBSF
  652. share/dirac/basis_ecp/ECPDS36SDFSF
  653. share/dirac/basis_ecp/ECPDS36SHFSF
  654. share/dirac/basis_ecp/ECPDS46MDFSF
  655. share/dirac/basis_ecp/ECPDS46MDFSO
  656. share/dirac/basis_ecp/ECPDS46MHFSF
  657. share/dirac/basis_ecp/ECPDS46MWBSF
  658. share/dirac/basis_ecp/ECPDS46SDFSF
  659. share/dirac/basis_ecp/ECPDS46SHFSF
  660. share/dirac/basis_ecp/ECPDS47MHFSF
  661. share/dirac/basis_ecp/ECPDS47MWBSF
  662. share/dirac/basis_ecp/ECPDS48MHFSF
  663. share/dirac/basis_ecp/ECPDS48MWBSF
  664. share/dirac/basis_ecp/ECPDS49MHFSF
  665. share/dirac/basis_ecp/ECPDS49MWBSF
  666. share/dirac/basis_ecp/ECPDS50MHFSF
  667. share/dirac/basis_ecp/ECPDS50MWBSF
  668. share/dirac/basis_ecp/ECPDS51MHFSF
  669. share/dirac/basis_ecp/ECPDS51MWBSF
  670. share/dirac/basis_ecp/ECPDS52MHFSF
  671. share/dirac/basis_ecp/ECPDS52MWBSF
  672. share/dirac/basis_ecp/ECPDS53MHFSF
  673. share/dirac/basis_ecp/ECPDS53MWBSF
  674. share/dirac/basis_ecp/ECPDS54MHFSF
  675. share/dirac/basis_ecp/ECPDS54MWBSF
  676. share/dirac/basis_ecp/ECPDS54SDFSF
  677. share/dirac/basis_ecp/ECPDS54SHFSF
  678. share/dirac/basis_ecp/ECPDS55MHFSF
  679. share/dirac/basis_ecp/ECPDS55MWBSF
  680. share/dirac/basis_ecp/ECPDS56MHFSF
  681. share/dirac/basis_ecp/ECPDS56MWBSF
  682. share/dirac/basis_ecp/ECPDS57MHFSF
  683. share/dirac/basis_ecp/ECPDS57MWBSF
  684. share/dirac/basis_ecp/ECPDS58MHFSF
  685. share/dirac/basis_ecp/ECPDS58MWBSF
  686. share/dirac/basis_ecp/ECPDS59MHFSF
  687. share/dirac/basis_ecp/ECPDS59MWBSF
  688. share/dirac/basis_ecp/ECPDS60MDFSF
  689. share/dirac/basis_ecp/ECPDS60MDFSO
  690. share/dirac/basis_ecp/ECPDS60MHFSF
  691. share/dirac/basis_ecp/ECPDS60MWBSF
  692. share/dirac/basis_ecp/ECPDS60MWBSO
  693. share/dirac/basis_ecp/ECPDS68MDFSF
  694. share/dirac/basis_ecp/ECPDS68MWBSF
  695. share/dirac/basis_ecp/ECPDS78MDFSF
  696. share/dirac/basis_ecp/ECPDS78MDFSO
  697. share/dirac/basis_ecp/ECPDS78MHFSF
  698. share/dirac/basis_ecp/ECPDS78MWBSF
  699. share/dirac/basis_ecp/ECPDS78SDFSF
  700. share/dirac/basis_ecp/ECPDS78SHFSF
  701. share/dirac/basis_ecp/ECPDS79MWBSF
  702. share/dirac/basis_ecp/ECPDS80MWBSF
  703. share/dirac/basis_ecp/ECPDS81MWBSF
  704. share/dirac/basis_ecp/ECPDS82MWBSF
  705. share/dirac/basis_ecp/ECPDS83MWBSF
  706. share/dirac/basis_ecp/ECPDS84MWBSF
  707. share/dirac/basis_ecp/ECPDS85MWBSF
  708. share/dirac/basis_ecp/ECPDS86MWBSF
  709. share/dirac/basis_ecp/ECPDS87MWBSF
  710. share/dirac/basis_ecp/ECPDS88MWBSF
  711. share/dirac/basis_ecp/ECPDS89MWBSF
  712. share/dirac/basis_ecp/ECPDS90MWBSF
  713. share/dirac/basis_ecp/ECPDS91MWBSF
  714. share/dirac/basis_ecp/ECPDS92MDFBQSF
  715. share/dirac/basis_ecp/ECPDS92MDFBQSO
  716. share/dirac/basis_ecp/ECPDS92MDFBQ_QZVP
  717. share/dirac/basis_ecp/ECPDS92MDFBSF
  718. share/dirac/basis_ecp/ECPDS92MDFBSO
  719. share/dirac/basis_ecp/ECPDS92MDFB_QZVP
  720. share/dirac/basis_ecp/ECPDS92MDFSF
  721. share/dirac/basis_ecp/ECPDS92MHFSF
  722. share/dirac/basis_ecp/ECPDS92MWBSF
  723. share/dirac/basis_ecp/ECPHW10SF
  724. share/dirac/basis_ecp/ECPHW18SF
  725. share/dirac/basis_ecp/ECPHW28SF
  726. share/dirac/basis_ecp/ECPHW36SF
  727. share/dirac/basis_ecp/ECPHW46SF
  728. share/dirac/basis_ecp/ECPHW54SF
  729. share/dirac/basis_ecp/ECPHW60SF
  730. share/dirac/basis_ecp/ECPHW68SF
  731. share/dirac/basis_ecp/ECPHW78SF
  732. share/dirac/basis_ecp/ECPSB10SF
  733. share/dirac/basis_ecp/ECPSB2SF
  734. share/dirac/cf_addlabels.x
  735. share/dirac/cfread.x
  736. share/dirac/diag.x
  737. share/dirac/dirac.x
  738. share/dirac/dirac_data.py
  739. share/dirac/dirac_mointegral_export.x
  740. share/dirac/labread.x
  741. share/dirac/mx2fit.x
  742. share/dirac/pam
  743. share/dirac/pcmo_addlabels.x
  744. share/dirac/polfit.x
  745. share/dirac/process_schema.py
  746. share/dirac/rspread.x
  747. share/dirac/test_allocator.x
  748. share/dirac/twofit.x
  749. share/dirac/vibcal.x
  750. @owner
  751. @group
  752. @mode
Collapse this list.
Dependency lines:
  • dirac-quantum-chemistry-software>0:science/dirac
To install the port:
cd /usr/ports/science/dirac/ && make install clean
To add the package, run one of these commands:
  • pkg install science/dirac
  • pkg install dirac-quantum-chemistry-software
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: dirac-quantum-chemistry-software
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1660200127 SHA256 (DIRAC-22.0-Source.tar.gz) = c8c011b5bc2ca36a2ef76b2deb911638321655fcae1d1b146cacfa1b5f783711 SIZE (DIRAC-22.0-Source.tar.gz) = 98408177

Packages (timestamps in pop-ups are UTC):
dirac-quantum-chemistry-software
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest22.0_222.0_2------
FreeBSD:13:quarterly22.0_222.0_2------
FreeBSD:14:latest22.0_222.0_2------
FreeBSD:14:quarterly22.0_222.0_2------
FreeBSD:15:latest22.0_222.0_2n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gmake : devel/gmake
  2. cmake : devel/cmake-core
  3. gfortran13 : lang/gcc13
  4. python3.9 : lang/python39
  5. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran13 : lang/gcc13
  2. python3.9 : lang/python39
Library dependencies:
  1. libblas.so : math/blas
  2. libhdf5.so : science/hdf5
  3. liblapack.so : math/lapack
This port is required by:
for Run
  1. science/py-OpenFermion-Dirac

Configuration Options:
No options to configure
Options name:
science_dirac
USES:
cmake:noninja,testing fortran localbase:ldflags python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://zenodo.org/record/6010450/files/
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
22.0_2
27 Apr 2024 07:53:00
commit hash: 578343456352ae57380253edf6e3b1212bc11265commit hash: 578343456352ae57380253edf6e3b1212bc11265commit hash: 578343456352ae57380253edf6e3b1212bc11265commit hash: 578343456352ae57380253edf6e3b1212bc11265 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on i386

Reported by:	fallout
22.0_2
02 Feb 2024 18:44:26
commit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bcecommit hash: c65c786b33a8c78e479cddaf6118e5c97a232bce files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on powerpc64, powerpc64le; Fix build on i386

Reported by:	fallout
22.0_2
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
22.0_1
19 Nov 2023 09:36:25
commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93commit hash: c3bbf2cf15284e03e6804750f83d9b659b1afb93 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Fix build by adding USES=localbase:ldflags

Otherwise liblapack wasn't found.

PR:		275165
Reported by:	Lorenzo Salvadore <salvadore@freebsd.org>; fallout
22.0_1
12 Jul 2023 18:56:04
commit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986ccommit hash: 7d1faa7179813ffa542b550a1fdb3bdc80a7986c files touched by this commit
Felix Palmen (zirias) search for other commits by this committer
bsd.sites.mk: Update all ports using USE_GITLAB

Replace GL_COMMIT by GL_TAGNAME in all ports. The new GL_TAGNAME is
backwards-compatible (accepting any commit hash as before), but also
understands an actual tag name. Moving to tag names where appropriate is
left to individual ports' maintainers.

Approved by:		portmgr (tcberner, mentor)
Differential Revision:	https://reviews.freebsd.org/D37077
22.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
22.0
27 Nov 2022 10:17:18
commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20commit hash: aa71322324a6246f762f4cb0ab36b67aa2a77d20 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on armv7

Reported by:	fallout
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)
22.0
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)
22.0
15 Aug 2022 05:44:16
commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7commit hash: 5fd3de30bafc903a736506154d33eba154437ad7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Broken on i386

Reported by:	fallout
22.0
11 Aug 2022 19:47:05
commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456commit hash: 547fa5d1d27d9e376bbf7e180fcf377f54e94456 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: Add comment about failing tests
22.0
11 Aug 2022 07:46:54
commit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97acommit hash: f9e5eb0630dcd845be7da1e45e6e28967ea8a97a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/dirac: New port: Program for atomic & molecular relativistic
all-electron calculations

Number of commits found: 12