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Port details on branch 2022Q2
ukrmol+ Code to compute electron and positron scattering from molecules
3.2_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 3.2_4Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-05-25 02:09:08
Last Update: 2023-12-12 19:03:50
Commit Hash: ab17137
License: GPLv3
WWW:
https://zenodo.org/record/5799134
Description:
Outer region programs for the re-engineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Also calculates photoionization cross sections.
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 (145 items)
Collapse this list.
  1. /usr/local/share/licenses/ukrmol+-3.2_4/catalog.mk
  2. /usr/local/share/licenses/ukrmol+-3.2_4/LICENSE
  3. /usr/local/share/licenses/ukrmol+-3.2_4/GPLv3
  4. bin/borncros
  5. bin/bound
  6. bin/cdenprop
  7. bin/cdenprop_all
  8. bin/congen
  9. bin/dcs
  10. bin/denprop
  11. bin/dipelm
  12. bin/dipole_tools
  13. bin/eigenp
  14. bin/gtobas
  15. bin/ixsecs
  16. bin/kmatadgeneral
  17. bin/mpi-scatci
  18. bin/mpi_rsolve
  19. bin/multidip
  20. bin/numcbas
  21. bin/numsbas
  22. bin/outer
  23. bin/outer-run
  24. bin/pfarm_interface
  25. bin/phase_match
  26. bin/phase_match_orbitals
  27. bin/radden
  28. bin/rates
  29. bin/reson
  30. bin/rmt_interface
  31. bin/rsolve
  32. bin/scatci
  33. bin/swinterf
  34. bin/timedel
  35. bin/tmatrx
  36. include/bas/gtobas_data.mod
  37. include/bas/numcbas_data.mod
  38. include/cdenprop/cdenprop_aux.mod
  39. include/cdenprop/cdenprop_defs.mod
  40. include/cdenprop/cdenprop_io.mod
  41. include/cdenprop/cdenprop_procs.mod
  42. include/cdenprop/class_coosparsematrix_integer.mod
  43. include/cdenprop/class_coosparsematrix_real.mod
  44. include/cdenprop/class_molecular_properties_data.mod
  45. include/cdenprop/class_namelists.mod
  46. include/ci-diag/alchemy_module.mod
  47. include/ci-diag/baseintegral_module.mod
  48. include/ci-diag/basematrix_module.mod
  49. include/ci-diag/ci_hamiltonian_module.mod
  50. include/ci-diag/consts_mpi_ci.mod
  51. include/ci-diag/contracted_hamiltonian_module.mod
  52. include/ci-diag/contracted_symbolic_module.mod
  53. include/ci-diag/csf_module.mod
  54. include/ci-diag/davidsondiagonalizer_module.mod
  55. include/ci-diag/diagonalizer_module.mod
  56. include/ci-diag/diagonalizerresult_module.mod
  57. include/ci-diag/dispatcher_module.mod
  58. include/ci-diag/distributedmatrix_module.mod
  59. include/ci-diag/hamiltonian_module.mod
  60. include/ci-diag/lapackdiagonalizer_module.mod
  61. include/ci-diag/m_2_matrix_sparse.mod
  62. include/ci-diag/matrixcache_module.mod
  63. include/ci-diag/matrixelement_module.mod
  64. include/ci-diag/memorymanager_module.mod
  65. include/ci-diag/options_module.mod
  66. include/ci-diag/orbital_module.mod
  67. include/ci-diag/parallelization_module.mod
  68. include/ci-diag/postprocessing_module.mod
  69. include/ci-diag/scatci_data.mod
  70. include/ci-diag/scatci_routines.mod
  71. include/ci-diag/solutionhandler_module.mod
  72. include/ci-diag/sweden_module.mod
  73. include/ci-diag/symbolic_module.mod
  74. include/ci-diag/target_rmat_ci_module.mod
  75. include/ci-diag/timing_module.mod
  76. include/ci-diag/ukrmol_module.mod
  77. include/ci-diag/uncontracted_hamiltonian_module.mod
  78. include/ci-diag/utility_module.mod
  79. include/ci-diag/writermatrix_module.mod
  80. include/compak/blas95_compak.mod
  81. include/compak/compak_defs.mod
  82. include/compak/compak_procs.mod
  83. include/compak/lapack95_compak.mod
  84. include/compak/photo_outerio.mod
  85. include/compak/read_inner_dipoles.mod
  86. include/congen/congen_bstree.mod
  87. include/congen/congen_data.mod
  88. include/congen/congen_distribution.mod
  89. include/congen/congen_driver.mod
  90. include/congen/congen_pagecontrol.mod
  91. include/congen/congen_projection.mod
  92. include/dipelm/anglib.mod
  93. include/dipelm/angmom_procs.mod
  94. include/dipelm/dipelm_defs.mod
  95. include/dipelm/dipelm_io.mod
  96. include/dipelm/dipelm_procs.mod
  97. include/dipelm/dipelm_smooth.mod
  98. include/dipelm/dipelm_special_functions.mod
  99. include/dipelm/dipelm_types.mod
  100. include/dipelm/dipelmdefs.mod
  101. include/dipelm/dipelmio.mod
  102. include/dipelm/dipelmprocs.mod
  103. include/dipelm/properties_file_mod.mod
  104. include/dipelm/sorting.mod
  105. include/global/algorithms.mod
  106. include/global/consts.mod
  107. include/global/containers.mod
  108. include/global/params.mod
  109. include/global/precisn.mod
  110. include/global/swmol3_data.mod
  111. include/global/version_control.mod
  112. include/interfaces/maths.mod
  113. include/multidip/multidip_integ.mod
  114. include/multidip/multidip_io.mod
  115. include/multidip/multidip_levin.mod
  116. include/multidip/multidip_params.mod
  117. include/multidip/multidip_romberg.mod
  118. include/multidip/multidip_routines.mod
  119. include/multidip/multidip_special.mod
  120. include/multidip/multidip_tests.mod
  121. include/outer/bspline.mod
  122. include/outer/couplings.mod
  123. include/outer/gettimedel.mod
  124. include/outer/interpolate.mod
  125. include/outer/numeric.mod
  126. include/outer/rmt_molecular_interface.mod
  127. include/outer/userdefkmat.mod
  128. include/outer/version_control.mod
  129. include/utilities/global_utils.mod
  130. include/utilities/integer_packing.mod
  131. lib/libcdenprop.so
  132. lib/libcompak.so
  133. lib/libcouplings.so
  134. lib/libdipelm.so
  135. lib/libmultidip.so
  136. lib/libouter.so
  137. lib/librmt_interface.so
  138. lib/libscatci.so
  139. lib/libukplus_global.so
  140. lib/libukplus_interfaces.so
  141. lib/libukplus_utilities.so
  142. lib/libutil.so
  143. @owner
  144. @group
  145. @mode
Collapse this list.
Dependency lines:
  • ukrmol+>0:science/ukrmol+
To install the port:
cd /usr/ports/science/ukrmol+/ && make install clean
To add the package, run one of these commands:
  • pkg install science/ukrmol+
  • pkg install ukrmol+
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: ukrmol+
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1653460437 SHA256 (ukrmol-out-3.2.tar.gz) = 9d3acc132c4128957d0a34ac8700924d3efdb7b84e37107fad6f80ac840aee59 SIZE (ukrmol-out-3.2.tar.gz) = 3722605

Expand this list (2 items)

Collapse this list.

SHA256 (ukrmol-in-3.2.tar.gz) = b93017d8d82a359a72f0f2326cef67c5499f3f97b518ec2a9befbfb214b5ecb4 SIZE (ukrmol-in-3.2.tar.gz) = 8934306

Collapse this list.

Packages (timestamps in pop-ups are UTC):
ukrmol+
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-3.2_4--3.2_4---
FreeBSD:13:quarterly-3.2_4--3.2_4---
FreeBSD:14:latest-3.2_4--3.2_4---
FreeBSD:14:quarterly-3.2_4--3.2_4---
FreeBSD:15:latest-3.2_4n/a-n/a---
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. cmake : devel/cmake-core
  2. gfortran12 : lang/gcc12
  3. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. libGBTO.so : science/gbtolib
  2. libopenblas.so : math/openblas
There are no ports dependent upon this port
Configuration Options:
===> The following configuration options are available for ukrmol+-3.2_4: DOCS=on: Build and/or install documentation ===> Use 'make config' to modify these settings
Options name:
science_ukrmol+
USES:
cmake:testing fortran python:test
FreshPorts was unable to extract/find any pkg message
Master Sites:
  1. There is no master site for this port.

There are no commits on branch 2022Q2 for this port
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