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Port details
pcmsolver API for the Polarizable Continuum Model
1.2.1_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
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2017-11-14 18:05:52
Last Update: 2018-12-25 20:25:40
SVN Revision: 488341
License: GPLv3
PCMSolver is a quantum chemistry library that aims to:
* Provide a plug-and-play library for adding the Polarizable Continuum Model
  functionality to any quantum chemistry program
* Create a playground for easily extending the implementation of the model

WWW: https://github.com/PCMSolver/pcmsolver
SVNWeb : Homepage : PortsMon
    Pseudo-pkg-plist information, but much better, from make generate-plist
    Expand this list (102 items)
  1. /usr/local/share/licenses/pcmsolver-1.2.1_4/catalog.mk
  2. /usr/local/share/licenses/pcmsolver-1.2.1_4/LICENSE
  3. /usr/local/share/licenses/pcmsolver-1.2.1_4/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
  103. Collapse this list.

Dependency line: 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

There is no flavor information for this port.

distinfo:

TIMESTAMP = 1528588496
SHA256 (PCMSolver-pcmsolver-v1.2.1_GH0.tar.gz) = aefaf84497a1c6157402ead46bb7bb32c919d15839906c6df85c9892c963b1c7
SIZE (PCMSolver-pcmsolver-v1.2.1_GH0.tar.gz) = 98217947


NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:
  1. cmake : devel/cmake
  2. gfortran8 : lang/gcc8
  3. python2.7 : lang/python27
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran8 : lang/gcc8
  2. python2.7 : lang/python27
There are no ports dependent upon this port

Configuration Options
     No options to configure

USES:
cmake:noninja fortran python

Master Sites:
  1. https://codeload.github.com/PCMSolver/pcmsolver/tar.gz/v1.2.1?dummy=/

Number of commits found: 11

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
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: 11

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