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Port details
ukrmol+ Code to compute electron and positron scattering from molecules
3.2_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 Version 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: 2022-09-07 21:58:51
Commit Hash: fb16dfe
License: GPLv3
Description:
HomepagecgitgithubgitlabSVNWeb
pkg-plist: as obtained via: make generate-plist
Expand this list (145 items)
Collapse this list.
  1. /usr/local/share/licenses/ukrmol+-3.2_2/catalog.mk
  2. /usr/local/share/licenses/ukrmol+-3.2_2/LICENSE
  3. /usr/local/share/licenses/ukrmol+-3.2_2/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:

Packages (timestamps in pop-ups are UTC):
ukrmol+
ABIlatestquarterly
FreeBSD:11:aarch64pkg-falloutpkg-fallout
FreeBSD:11:amd64pkg-falloutpkg-fallout
FreeBSD:11:armv6pkg-falloutpkg-fallout
FreeBSD:11:i386pkg-falloutpkg-fallout
FreeBSD:11:mipspkg-falloutpkg-fallout
FreeBSD:11:mips64pkg-falloutpkg-fallout
FreeBSD:12:aarch64pkg-falloutpkg-fallout
FreeBSD:12:amd643.2_23.2_1
FreeBSD:12:armv6pkg-falloutpkg-fallout
FreeBSD:12:armv7pkg-falloutpkg-fallout
FreeBSD:12:i3863.2_23.2_2
FreeBSD:12:mipspkg-falloutpkg-fallout
FreeBSD:12:mips64pkg-falloutpkg-fallout
FreeBSD:12:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:aarch64pkg-falloutpkg-fallout
FreeBSD:13:amd643.2_23.2_2
FreeBSD:13:armv6pkg-falloutpkg-fallout
FreeBSD:13:armv7pkg-falloutpkg-fallout
FreeBSD:13:i3863.2_23.2_2
FreeBSD:13:mipspkg-falloutpkg-fallout
FreeBSD:13:mips64pkg-falloutpkg-fallout
FreeBSD:13:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:riscv64pkg-falloutpkg-fallout
FreeBSD:14:aarch64pkg-falloutpkg-fallout
FreeBSD:14:amd643.2_2pkg-fallout
FreeBSD:14:armv6pkg-falloutpkg-fallout
FreeBSD:14:armv7pkg-falloutpkg-fallout
FreeBSD:14:i3863.2_2pkg-fallout
FreeBSD:14:mipspkg-falloutpkg-fallout
FreeBSD:14:mips64pkg-falloutpkg-fallout
FreeBSD:14:powerpc64pkg-falloutpkg-fallout
FreeBSD:14:riscv64pkg-falloutpkg-fallout
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran11 : lang/gcc11
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran11 : lang/gcc11
Library dependencies:
  1. libGBTO.so : science/gbtolib
  2. libopenblas.so : math/openblas
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
  1. There is no master site for this port.

Number of commits found: 7

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
07 Sep 2022 21:58:51
commit 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)
3.2_2
07 Sep 2022 21:10:59
commit 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)
3.2_2
03 Aug 2022 08:40:50
commit hash:65eb0e67e031f0c1ae801de5119f9b0d44c7a778commit hash:65eb0e67e031f0c1ae801de5119f9b0d44c7a778commit hash:65eb0e67e031f0c1ae801de5119f9b0d44c7a778 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/ukrmol+: Add FFLAGS=-fdefault-integer-8 to fix tests; Remove WITH_GSL

Lack of FFLAGS=-fdefault-integer-8 caused one test to fail.
WITH_GSL is only for developers, not for production build.
3.2_1
03 Jun 2022 18:23:35
commit hash:9a403e3bcfff29b6cdc266eea6f1cbecda7b4549commit hash:9a403e3bcfff29b6cdc266eea6f1cbecda7b4549commit hash:9a403e3bcfff29b6cdc266eea6f1cbecda7b4549 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/ukrmol+: Broken on aarch64

Reported by:	fallout
3.2_1
26 May 2022 06:52:57
commit hash:25197428e8f90da42d3f579ccc5b558bb1bc5f27commit hash:25197428e8f90da42d3f579ccc5b558bb1bc5f27commit hash:25197428e8f90da42d3f579ccc5b558bb1bc5f27 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/ukrmol+: Minor improvements
3.2_1
25 May 2022 20:19:02
commit hash:ff071caeaaaf9d8d9dffd1f0a106759ce943351dcommit hash:ff071caeaaaf9d8d9dffd1f0a106759ce943351dcommit hash:ff071caeaaaf9d8d9dffd1f0a106759ce943351d files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/ukrmol+: Fix tests

... by adding the "in" part of the project required to run tests.
3.2
25 May 2022 02:06:06
commit hash:f4b77872080c762ffc3105a441145a6e0c94dcb7commit hash:f4b77872080c762ffc3105a441145a6e0c94dcb7commit hash:f4b77872080c762ffc3105a441145a6e0c94dcb7 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/ukrmol+: New port: Code to compute electron and positron scattering from
molecules

Number of commits found: 7