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Port details on branch 2022Q2
openmolcas Quantum chemistry software package
23.06 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 23.06Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-05-24 19:59:01
Last Update: 2023-07-23 08:50:35
Commit Hash: b620214
License: LGPL21
WWW:
https://gitlab.com/Molcas/OpenMolcas
Description:
OpenMolcas is a quantum chemistry software package. The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.
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 (223 items)
Collapse this list.
  1. /usr/local/share/licenses/openmolcas-23.06/catalog.mk
  2. /usr/local/share/licenses/openmolcas-23.06/LICENSE
  3. /usr/local/share/licenses/openmolcas-23.06/LGPL21
  4. share/openmolcas/.molcashome
  5. share/openmolcas/.molcasversion
  6. share/openmolcas/basis_library/3-21G
  7. share/openmolcas/basis_library/4-31G
  8. share/openmolcas/basis_library/5-21G
  9. share/openmolcas/basis_library/6-311Gpp
  10. share/openmolcas/basis_library/6-31G
  11. share/openmolcas/basis_library/6-31Gpp
  12. share/openmolcas/basis_library/AHLRICHS_VDZ
  13. share/openmolcas/basis_library/AHLRICHS_VTZ
  14. share/openmolcas/basis_library/AIMP.README
  15. share/openmolcas/basis_library/ANO-DK3
  16. share/openmolcas/basis_library/ANO-L
  17. share/openmolcas/basis_library/ANO-ORCA
  18. share/openmolcas/basis_library/ANO-R
  19. share/openmolcas/basis_library/ANO-RCC
  20. share/openmolcas/basis_library/ANO-RCC.README
  21. share/openmolcas/basis_library/ANO-S
  22. share/openmolcas/basis_library/ANO-XS
  23. share/openmolcas/basis_library/AUG-CC-PV5Z
  24. share/openmolcas/basis_library/AUG-CC-PV6Z
  25. share/openmolcas/basis_library/AUG-CC-PVDZ
  26. share/openmolcas/basis_library/AUG-CC-PVQZ
  27. share/openmolcas/basis_library/AUG-CC-PVTZ
  28. share/openmolcas/basis_library/AUG-PC-0
  29. share/openmolcas/basis_library/AUG-PC-1
  30. share/openmolcas/basis_library/AUG-PC-2
  31. share/openmolcas/basis_library/AUG-PC-3
  32. share/openmolcas/basis_library/AUG-PC-4
  33. share/openmolcas/basis_library/CC-PV5Z
  34. share/openmolcas/basis_library/CC-PV5Z-DK
  35. share/openmolcas/basis_library/CC-PVDZ
  36. share/openmolcas/basis_library/CC-PVDZ-DK
  37. share/openmolcas/basis_library/CC-PVQZ
  38. share/openmolcas/basis_library/CC-PVQZ-DK
  39. share/openmolcas/basis_library/CC-PVTZ
  40. share/openmolcas/basis_library/CC-PVTZ-DK
  41. share/openmolcas/basis_library/CC-PWCV5Z-DK
  42. share/openmolcas/basis_library/CC-PWCVQZ-DK
  43. share/openmolcas/basis_library/CC-PWCVTZ-DK
  44. share/openmolcas/basis_library/CG-AIMP
  45. share/openmolcas/basis_library/DEF-SV-P
  46. share/openmolcas/basis_library/DEF-SVP
  47. share/openmolcas/basis_library/DEF-TZVP
  48. share/openmolcas/basis_library/DEF2-SVP
  49. share/openmolcas/basis_library/DEF2-TZVP
  50. share/openmolcas/basis_library/DEF2-TZVPP
  51. share/openmolcas/basis_library/EMB-AIMP
  52. share/openmolcas/basis_library/JGAUSS-DZP
  53. share/openmolcas/basis_library/LANL2DZ
  54. share/openmolcas/basis_library/LANL2DZ_NL
  55. share/openmolcas/basis_library/MCP-AQZP
  56. share/openmolcas/basis_library/MCP-ATZP
  57. share/openmolcas/basis_library/MCP-DZP
  58. share/openmolcas/basis_library/MCP-QZP
  59. share/openmolcas/basis_library/MCP-TZP
  60. share/openmolcas/basis_library/MUONIC
  61. share/openmolcas/basis_library/NP-AIMP
  62. share/openmolcas/basis_library/NR-AIMP
  63. share/openmolcas/basis_library/PC-0
  64. share/openmolcas/basis_library/PC-1
  65. share/openmolcas/basis_library/PC-2
  66. share/openmolcas/basis_library/PC-3
  67. share/openmolcas/basis_library/PC-4
  68. share/openmolcas/basis_library/QRPLIB
  69. share/openmolcas/basis_library/RAF-R
  70. share/openmolcas/basis_library/RYDBERG
  71. share/openmolcas/basis_library/SADLEJ_PVTZ
  72. share/openmolcas/basis_library/SARC2-QZVP-DKH2
  73. share/openmolcas/basis_library/STO-3G
  74. share/openmolcas/basis_library/STUTTGART
  75. share/openmolcas/basis_library/STUTTGART_NL
  76. share/openmolcas/basis_library/basis.tbl
  77. share/openmolcas/basis_library/basistype.tbl
  78. share/openmolcas/basis_library/c_Basis/DEF-SV-P
  79. share/openmolcas/basis_library/c_Basis/DEF-SVP
  80. share/openmolcas/basis_library/c_Basis/DEF-TZVP
  81. share/openmolcas/basis_library/c_Basis/basis.tbl
  82. share/openmolcas/basis_library/c_Basis/basistype.tbl
  83. share/openmolcas/basis_library/c_Basis/trans.tbl
  84. share/openmolcas/basis_library/j_Basis/DEF-SV-P
  85. share/openmolcas/basis_library/j_Basis/DEF-SVP
  86. share/openmolcas/basis_library/j_Basis/DEF-TZVP
  87. share/openmolcas/basis_library/j_Basis/basis.tbl
  88. share/openmolcas/basis_library/j_Basis/basistype.tbl
  89. share/openmolcas/basis_library/j_Basis/trans.tbl
  90. share/openmolcas/basis_library/jk_Basis/CC-PVTZ
  91. share/openmolcas/basis_library/jk_Basis/DEF-SV-P
  92. share/openmolcas/basis_library/jk_Basis/DEF-SVP
  93. share/openmolcas/basis_library/jk_Basis/basis.tbl
  94. share/openmolcas/basis_library/jk_Basis/basistype.tbl
  95. share/openmolcas/basis_library/jk_Basis/trans.tbl
  96. share/openmolcas/basis_library/trans.tbl
  97. share/openmolcas/bin/alaska.exe
  98. share/openmolcas/bin/averd.exe
  99. share/openmolcas/bin/caspt2.exe
  100. share/openmolcas/bin/casvb.exe
  101. share/openmolcas/bin/ccsdt.exe
  102. share/openmolcas/bin/chcc.exe
  103. share/openmolcas/bin/cht3.exe
  104. share/openmolcas/bin/cpf.exe
  105. share/openmolcas/bin/dynamix.exe
  106. share/openmolcas/bin/espf.exe
  107. share/openmolcas/bin/expbas.exe
  108. share/openmolcas/bin/extf.exe
  109. share/openmolcas/bin/false.exe
  110. share/openmolcas/bin/ffpt.exe
  111. share/openmolcas/bin/gateway.exe
  112. share/openmolcas/bin/genano.exe
  113. share/openmolcas/bin/grid_it.exe
  114. share/openmolcas/bin/guessorb.exe
  115. share/openmolcas/bin/guga.exe
  116. share/openmolcas/bin/gugaci.exe
  117. share/openmolcas/bin/gugadrt.exe
  118. share/openmolcas/bin/last_energy.exe
  119. share/openmolcas/bin/level.exe
  120. share/openmolcas/bin/localisation.exe
  121. share/openmolcas/bin/loprop.exe
  122. share/openmolcas/bin/mbpt2.exe
  123. share/openmolcas/bin/mckinley.exe
  124. share/openmolcas/bin/mclr.exe
  125. share/openmolcas/bin/mcpdft.exe
  126. share/openmolcas/bin/motra.exe
  127. share/openmolcas/bin/mpprop.exe
  128. share/openmolcas/bin/mrci.exe
  129. share/openmolcas/bin/mula.exe
  130. share/openmolcas/bin/numerical_gradient.exe
  131. share/openmolcas/bin/parnell.exe
  132. share/openmolcas/bin/poly_aniso.exe
  133. share/openmolcas/bin/qmstat.exe
  134. share/openmolcas/bin/quater.exe
  135. share/openmolcas/bin/rasscf.exe
  136. share/openmolcas/bin/rassi.exe
  137. share/openmolcas/bin/rhodyn.exe
  138. share/openmolcas/bin/rpa.exe
  139. share/openmolcas/bin/scf.exe
  140. share/openmolcas/bin/seward.exe
  141. share/openmolcas/bin/single_aniso.exe
  142. share/openmolcas/bin/slapaf.exe
  143. share/openmolcas/bin/surfacehop.exe
  144. share/openmolcas/bin/symmetrize.exe
  145. share/openmolcas/bin/vibrot.exe
  146. share/openmolcas/data/MolGUI.prgm
  147. share/openmolcas/data/abdata
  148. share/openmolcas/data/alaska.prgm
  149. share/openmolcas/data/averd.prgm
  150. share/openmolcas/data/banner.txt
  151. share/openmolcas/data/caspt2.prgm
  152. share/openmolcas/data/casvb.prgm
  153. share/openmolcas/data/ccsdt.prgm
  154. share/openmolcas/data/chcc.prgm
  155. share/openmolcas/data/check.prgm
  156. share/openmolcas/data/cht3.prgm
  157. share/openmolcas/data/cpf.prgm
  158. share/openmolcas/data/dmrgscf.prgm
  159. share/openmolcas/data/dynamix.prgm
  160. share/openmolcas/data/espf.prgm
  161. share/openmolcas/data/expbas.prgm
  162. share/openmolcas/data/extf.prgm
  163. share/openmolcas/data/false.prgm
  164. share/openmolcas/data/ffpt.prgm
  165. share/openmolcas/data/functionals.txt
  166. share/openmolcas/data/gateway.prgm
  167. share/openmolcas/data/genano.prgm
  168. share/openmolcas/data/global.prgm
  169. share/openmolcas/data/grid_it.prgm
  170. share/openmolcas/data/guessorb.prgm
  171. share/openmolcas/data/guga.prgm
  172. share/openmolcas/data/gugaci.prgm
  173. share/openmolcas/data/gugadrt.prgm
  174. share/openmolcas/data/info.txt
  175. share/openmolcas/data/inporb_files.prgm
  176. share/openmolcas/data/inputs.tpl
  177. share/openmolcas/data/isotope_data.txt
  178. share/openmolcas/data/keyword.db
  179. share/openmolcas/data/keyword.xml
  180. share/openmolcas/data/landing.txt
  181. share/openmolcas/data/last_energy.prgm
  182. share/openmolcas/data/level.prgm
  183. share/openmolcas/data/localisation.prgm
  184. share/openmolcas/data/loprop.prgm
  185. share/openmolcas/data/mbpt2.prgm
  186. share/openmolcas/data/mckinley.prgm
  187. share/openmolcas/data/mclr.prgm
  188. share/openmolcas/data/mcpdft.prgm
  189. share/openmolcas/data/modalias.txt
  190. share/openmolcas/data/motra.prgm
  191. share/openmolcas/data/mpprop.prgm
  192. share/openmolcas/data/mpssi.prgm
  193. share/openmolcas/data/mrci.prgm
  194. share/openmolcas/data/mula.prgm
  195. share/openmolcas/data/nevpt2.prgm
  196. share/openmolcas/data/numerical_gradient.prgm
  197. share/openmolcas/data/poly_aniso.prgm
  198. share/openmolcas/data/qmstat.prgm
  199. share/openmolcas/data/quater.prgm
  200. share/openmolcas/data/rasscf.prgm
  201. share/openmolcas/data/rassi.prgm
  202. share/openmolcas/data/rcodes.txt
  203. share/openmolcas/data/rhodyn.prgm
  204. share/openmolcas/data/rpa.prgm
  205. share/openmolcas/data/rysrw
  206. share/openmolcas/data/scf.prgm
  207. share/openmolcas/data/seward.prgm
  208. share/openmolcas/data/single_aniso.prgm
  209. share/openmolcas/data/slapaf.prgm
  210. share/openmolcas/data/surfacehop.prgm
  211. share/openmolcas/data/symmetrize.prgm
  212. share/openmolcas/data/vibrot.prgm
  213. share/openmolcas/data/wfa.prgm
  214. share/openmolcas/molcas.rte
  215. share/openmolcas/pymolcas
  216. share/openmolcas/sbin/help_basis
  217. share/openmolcas/sbin/help_doc
  218. share/openmolcas/sbin/help_func
  219. share/openmolcas/sbin/setup
  220. share/openmolcas/sbin/version
  221. @owner
  222. @group
  223. @mode
Collapse this list.
Dependency lines:
  • openmolcas>0:science/openmolcas
To install the port:
cd /usr/ports/science/openmolcas/ && make install clean
To add the package, run one of these commands:
  • pkg install science/openmolcas
  • pkg install openmolcas
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: openmolcas
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1690098967 SHA256 (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 04ddd43c8b1bed6447427e9dd2b4dd2ead7e2497d7a8fa5fea7f9b31f52117a2 SIZE (Reference-LAPACK-lapack-aa631b4b_GH0.tar.gz) = 7631245

Expand this list (8 items)

Collapse this list.

SHA256 (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 147ba9713bba4f7587c349fb19ff372c4279f011a009d09bd00ec1ae89dba868 SIZE (ilyak-libefp-7d1ff5fd_GH0.tar.gz) = 5614915 SHA256 (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 6572464002360c455285db4423d208f7ca92ab4268ee425dcb7168fe2d02e948 SIZE (mcodev31-libmsym-0e0b831c_GH0.tar.gz) = 87556 SHA256 (libwfa-libwfa-da000b67_GH0.tar.gz) = 0375f16c8c55f8f18dfe5fe8a09adc7a0146cec779667aad6c7462b3bff48093 SIZE (libwfa-libwfa-da000b67_GH0.tar.gz) = 195698 SHA256 (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = e4f32f00be64bbde0b263e76e97b7c0311ae5f8224f30179fefeae9822a72ec5 SIZE (Molcas-OpenMolcas-1cda3772686cbf99a4af695929a12d563c795ca2_GL0.tar.gz) = 39553764

Collapse this list.

Packages (timestamps in pop-ups are UTC):
openmolcas
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest23.0623.06------
FreeBSD:13:quarterly23.0623.06----23.06-
FreeBSD:14:latest23.0623.06------
FreeBSD:14:quarterly23.0623.06----23.06-
FreeBSD:15:latest23.0623.06n/a-n/a-23.0623.06
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py39-pyparsing>0 : devel/py-pyparsing@py39
  2. chemps2 : science/chemps2
  3. cmake : devel/cmake-core
  4. gfortran12 : lang/gcc12
  5. python3.9 : lang/python39
  6. gcc12 : lang/gcc12
  7. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran12 : lang/gcc12
  2. python3.9 : lang/python39
  3. gcc12 : lang/gcc12
Library dependencies:
  1. libhdf5.so : science/hdf5
  2. libsz.so : science/libaec
  3. libxc.so : science/libxc
There are no ports dependent upon this port
Configuration Options:
No options to configure
Options name:
science_openmolcas
USES:
cmake:testing fortran python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (2 items)
Collapse this list.
  1. https://codeload.github.com/openmolcas/openmolcas/tar.gz/23.06?dummy=/
  2. https://gitlab.com/Molcas/OpenMolcas/-/archive/1cda3772686cbf99a4af695929a12d563c795ca2.tar.gz?dummy=/
Collapse this list.

There are no commits on branch 2022Q2 for this port
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