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Port details
pcmsolver API for the Polarizable Continuum Model
1.2.3_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 1.2.3Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2017-11-14 18:05:52
Last Update: 2019-07-26 21:46:57
SVN Revision: 507372
License: GPLv3
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (102 items)
  1. /usr/local/share/licenses/pcmsolver-1.2.3_2/catalog.mk
  2. /usr/local/share/licenses/pcmsolver-1.2.3_2/LICENSE
  3. /usr/local/share/licenses/pcmsolver-1.2.3_2/GPLv3
  4. bin/go_pcm.py
  5. bin/plot_cavity.py
  6. bin/run_pcm
  7. include/PCMSolver/Citation.hpp
  8. include/PCMSolver/Config.hpp
  9. include/PCMSolver/Cxx11Workarounds.hpp
  10. include/PCMSolver/ErrorHandling.hpp
  11. include/PCMSolver/LoggerInterface.hpp
  12. include/PCMSolver/PCMInput.h
  13. include/PCMSolver/PCMSolverExport.h
  14. include/PCMSolver/PhysicalConstants.hpp
  15. include/PCMSolver/STLUtils.hpp
  16. include/PCMSolver/TimerInterface.hpp
  17. include/PCMSolver/VersionInfo.hpp
  18. include/PCMSolver/bi_operators/BIOperatorData.hpp
  19. include/PCMSolver/bi_operators/BoundaryIntegralOperator.hpp
  20. include/PCMSolver/bi_operators/Collocation.hpp
  21. include/PCMSolver/bi_operators/IBoundaryIntegralOperator.hpp
  22. include/PCMSolver/bi_operators/Numerical.hpp
  23. include/PCMSolver/bi_operators/Purisima.hpp
  24. include/PCMSolver/cavity/Cavity.hpp
  25. include/PCMSolver/cavity/CavityData.hpp
  26. include/PCMSolver/cavity/Element.hpp
  27. include/PCMSolver/cavity/GePolCavity.hpp
  28. include/PCMSolver/cavity/ICavity.hpp
  29. include/PCMSolver/cavity/RestartCavity.hpp
  30. include/PCMSolver/external/libtaylor/CMakeLists.txt
  31. include/PCMSolver/external/libtaylor/README
  32. include/PCMSolver/external/libtaylor/ctaylor.hpp
  33. include/PCMSolver/external/libtaylor/ctaylor_math.hpp
  34. include/PCMSolver/external/libtaylor/example.cpp
  35. include/PCMSolver/external/libtaylor/micromath.hpp
  36. include/PCMSolver/external/libtaylor/polymul.hpp
  37. include/PCMSolver/external/libtaylor/taylor.hpp
  38. include/PCMSolver/external/libtaylor/taylor_math.hpp
  39. include/PCMSolver/external/libtaylor/tmath.hpp
  40. include/PCMSolver/external/libtaylor/unittest_taylor.cpp
  41. include/PCMSolver/green/AnisotropicLiquid.hpp
  42. include/PCMSolver/green/DerivativeTypes.hpp
  43. include/PCMSolver/green/Green.hpp
  44. include/PCMSolver/green/GreenData.hpp
  45. include/PCMSolver/green/GreenUtils.hpp
  46. include/PCMSolver/green/GreensFunction.hpp
  47. include/PCMSolver/green/IGreensFunction.hpp
  48. include/PCMSolver/green/InterfacesImpl.hpp
  49. include/PCMSolver/green/IonicLiquid.hpp
  50. include/PCMSolver/green/SphericalDiffuse.hpp
  51. include/PCMSolver/green/SphericalSharp.hpp
  52. include/PCMSolver/green/UniformDielectric.hpp
  53. include/PCMSolver/green/Vacuum.hpp
  54. include/PCMSolver/interface/Input.hpp
  55. include/PCMSolver/interface/Meddle.hpp
  56. include/PCMSolver/pcmsolver.f90
  57. include/PCMSolver/pcmsolver.h
  58. include/PCMSolver/solver/CPCMSolver.hpp
  59. include/PCMSolver/solver/IEFSolver.hpp
  60. include/PCMSolver/solver/ISolver.hpp
  61. include/PCMSolver/solver/Solver.hpp
  62. include/PCMSolver/solver/SolverData.hpp
  63. include/PCMSolver/solver/SolverImpl.hpp
  64. include/PCMSolver/utils/Atom.hpp
  65. include/PCMSolver/utils/ChargeDistribution.hpp
  66. include/PCMSolver/utils/Factory.hpp
  67. include/PCMSolver/utils/Legendre.hpp
  68. include/PCMSolver/utils/Logger.hpp
  69. include/PCMSolver/utils/LoggerImpl.hpp
  70. include/PCMSolver/utils/MathUtils.hpp
  71. include/PCMSolver/utils/Molecule.hpp
  72. include/PCMSolver/utils/QuadratureRules.hpp
  73. include/PCMSolver/utils/Solvent.hpp
  74. include/PCMSolver/utils/Sphere.hpp
  75. include/PCMSolver/utils/SplineFunction.hpp
  76. include/PCMSolver/utils/Stencils.hpp
  77. include/PCMSolver/utils/Symmetry.hpp
  78. include/PCMSolver/utils/Timer.hpp
  79. include/PCMSolver/utils/cnpy.hpp
  80. include/PCMSolver/utils/getkw/Getkw.h
  81. include/PCMSolver/utils/getkw/GetkwError.h
  82. include/PCMSolver/utils/getkw/Keyword.h
  83. include/PCMSolver/utils/getkw/Section.h
  84. lib/libpcm.a
  85. lib/libpcm.so
  86. lib/libpcm.so.1
  87. lib/python/pcmsolver/__init__.py
  88. lib/python/pcmsolver/external/__init__.py
  89. lib/python/pcmsolver/external/docopt.py
  90. lib/python/pcmsolver/getkw.py
  91. lib/python/pcmsolver/metadata.py
  92. lib/python/pcmsolver/pcmdata.py
  93. lib/python/pcmsolver/pcmparser.py
  94. lib/python/pcmsolver/pyparsing.py
  95. share/cmake/PCMSolver/PCMSolverConfig.cmake
  96. share/cmake/PCMSolver/PCMSolverConfigVersion.cmake
  97. share/cmake/PCMSolver/PCMSolverTargets-shared-release.cmake
  98. share/cmake/PCMSolver/PCMSolverTargets-shared.cmake
  99. share/cmake/PCMSolver/PCMSolverTargets-static-release.cmake
  100. share/cmake/PCMSolver/PCMSolverTargets-static.cmake
  101. @postexec /usr/sbin/service ldconfig restart > /dev/null
  102. @postunexec /usr/sbin/service ldconfig restart > /dev/null
Collapse this list.
Dependency lines:
  • pcmsolver>0:science/pcmsolver
To install the port: cd /usr/ports/science/pcmsolver/ && make install clean
To add the package: pkg install pcmsolver
PKGNAME: pcmsolver
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. cmake : devel/cmake
  2. gfortran9 : lang/gcc9
  3. python3.6 : lang/python36
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran9 : lang/gcc9
  2. python3.6 : lang/python36
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://codeload.github.com/PCMSolver/pcmsolver/tar.gz/v1.2.3?dummy=/

Number of commits found: 15

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
26 Jul 2019 20:46:57
Original commit files touched by this commit  1.2.3_2
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
22 Apr 2019 13:16:34
Original commit files touched by this commit  1.2.3_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
17 Feb 2019 02:36:15
Original commit files touched by this commit  1.2.3
Revision:493146
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.2 -> 1.2.3

Reported by:	portscout
31 Jan 2019 04:57:30
Original commit files touched by this commit  1.2.2
Revision:491682
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.1 -> 1.2.2

Reported by:	portscout
25 Dec 2018 20:25:40
Original commit files touched by this commit  1.2.1_4
Revision:488341
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine
22 Dec 2018 08:30:19
Original commit files touched by this commit  1.2.1_4
Revision:488077
yuri search for other commits by this committer
science/pcmsolver: Unbreak: supply the minimal CMAKE_EXE_LINKER_FLAGS

Also pass C/CXX flags to enable optimization.

Reported by:	fallout
19 Dec 2018 06:09:27
Original commit files touched by this commit  1.2.1_3
Revision:487784
yuri search for other commits by this committer
science/pcmsolver: Unbreak

It was breaking with both gfortran and clang. As it turned out, full CMAKE_ARGS
break gfortan
but a simpler version of CMAKE_ARGS doesn't.
18 Dec 2018 23:25:00
Original commit files touched by this commit  1.2.1_2
Revision:487776
antoine search for other commits by this committer
Mark BROKEN: fails to build

F90-F-0004-Unable to open MODULE file iso_c_binding.mod
(/wrkdirs/usr/ports/science/pcmsolver/work/pcmsolver-1.2.1/src/metal/metal_sphere.F90:
26)

Reported by:	pkg-fallout
12 Dec 2018 01:35:36
Original commit files touched by this commit  1.2.1_2
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
29 Jul 2018 22:18:46
Original commit files touched by this commit  1.2.1_1
Revision:475857
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542
18 Jun 2018 14:40:31
Original commit files touched by this commit  1.2.1
Revision:472699
linimon search for other commits by this committer
Mark ports broken on powerpc64, categories o-z.

While here, pet portlint and do some other cleanup.

Approved by:	portmgr (tier-2 blanket)
13 Jun 2018 17:00:28
Original commit files touched by this commit  1.2.1
Revision:472334
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.0 -> 1.2.1

Reported by:	portscout
28 Apr 2018 18:18:40
Original commit files touched by this commit  1.2.0
Revision:468559
yuri search for other commits by this committer
science/pcmsolver: Update 1.1.11 -> 1.2.0

Also replaced USES=fortran with LIB_DEPENDS for flang, because USES=fortran:x
breaks for both flang and gfortran.
10 Mar 2018 17:46:06
Original commit files touched by this commit  1.1.11_1
Revision:464084
gerald search for other commits by this committer
Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079).
14 Nov 2017 18:05:42
Original commit files touched by this commit  1.1.11
Revision:454184
yuri search for other commits by this committer
New port: science/pcmsolver: API for the Polarizable Continuum Model

Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13069

Number of commits found: 15

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