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Port details
pcmsolver API for the Polarizable Continuum Model
1.3.0_1 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 1.3.0_1Version 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: 2023-04-23 09:09:58
Commit Hash: 8d3e020
License: GPLv3
WWW:
https://github.com/PCMSolver/pcmsolver
Description:
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
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (105 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/pcmsolver-1.3.0_1/catalog.mk
  3. /usr/local/share/licenses/pcmsolver-1.3.0_1/LICENSE
  4. /usr/local/share/licenses/pcmsolver-1.3.0_1/GPLv3
  5. bin/go_pcm.py
  6. bin/plot_cavity.py
  7. bin/run_pcm
  8. include/PCMSolver/Citation.hpp
  9. include/PCMSolver/Config.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/mmfq/FQOhno.hpp
  57. include/PCMSolver/pcmsolver.f90
  58. include/PCMSolver/pcmsolver.h
  59. include/PCMSolver/solver/CPCMSolver.hpp
  60. include/PCMSolver/solver/IEFSolver.hpp
  61. include/PCMSolver/solver/ISolver.hpp
  62. include/PCMSolver/solver/Solver.hpp
  63. include/PCMSolver/solver/SolverData.hpp
  64. include/PCMSolver/solver/SolverImpl.hpp
  65. include/PCMSolver/utils/Atom.hpp
  66. include/PCMSolver/utils/ChargeDistribution.hpp
  67. include/PCMSolver/utils/Factory.hpp
  68. include/PCMSolver/utils/Legendre.hpp
  69. include/PCMSolver/utils/Logger.hpp
  70. include/PCMSolver/utils/LoggerImpl.hpp
  71. include/PCMSolver/utils/MMFQ.hpp
  72. include/PCMSolver/utils/MathUtils.hpp
  73. include/PCMSolver/utils/Molecule.hpp
  74. include/PCMSolver/utils/QuadratureRules.hpp
  75. include/PCMSolver/utils/Solvent.hpp
  76. include/PCMSolver/utils/Sphere.hpp
  77. include/PCMSolver/utils/SplineFunction.hpp
  78. include/PCMSolver/utils/Stencils.hpp
  79. include/PCMSolver/utils/Symmetry.hpp
  80. include/PCMSolver/utils/Timer.hpp
  81. include/PCMSolver/utils/cnpy.hpp
  82. include/PCMSolver/utils/getkw/Getkw.h
  83. include/PCMSolver/utils/getkw/GetkwError.h
  84. include/PCMSolver/utils/getkw/Keyword.h
  85. include/PCMSolver/utils/getkw/Section.h
  86. lib/libpcm.a
  87. lib/libpcm.so
  88. lib/libpcm.so.1
  89. lib/python/pcmsolver/__init__.py
  90. lib/python/pcmsolver/external/__init__.py
  91. lib/python/pcmsolver/external/docopt.py
  92. lib/python/pcmsolver/getkw.py
  93. lib/python/pcmsolver/metadata.py
  94. lib/python/pcmsolver/pcmdata.py
  95. lib/python/pcmsolver/pcmparser.py
  96. lib/python/pcmsolver/pyparsing.py
  97. share/cmake/PCMSolver/PCMSolverConfig.cmake
  98. share/cmake/PCMSolver/PCMSolverConfigVersion.cmake
  99. share/cmake/PCMSolver/PCMSolverTargets-shared-release.cmake
  100. share/cmake/PCMSolver/PCMSolverTargets-shared.cmake
  101. share/cmake/PCMSolver/PCMSolverTargets-static-release.cmake
  102. share/cmake/PCMSolver/PCMSolverTargets-static.cmake
  103. @owner
  104. @group
  105. @mode
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, run one of these commands:
  • pkg install science/pcmsolver
  • pkg install pcmsolver
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: pcmsolver
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1606986290 SHA256 (PCMSolver-pcmsolver-v1.3.0_GH0.tar.gz) = 85d40881e3dbdb13e9b8dc661cd576c181760f6e0d760ab5630b5a8155418f34 SIZE (PCMSolver-pcmsolver-v1.3.0_GH0.tar.gz) = 98241099

Packages (timestamps in pop-ups are UTC):
pcmsolver
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest1.3.0_11.3.0_11.3.01.3.0_11.3.0_1-1.3.0-
FreeBSD:13:quarterly1.3.0_11.3.0_1-1.3.0_11.3.0_1-1.3.0_11.3.0_1
FreeBSD:14:latest1.3.0_11.3.0_1-1.3.0_11.3.0_1---
FreeBSD:14:quarterly1.3.0_11.3.0_1-1.3.0_11.3.0_1-1.3.0_11.3.0_1
FreeBSD:15:latest1.3.0_11.3.0_1n/a1.3.0_1n/a-1.3.0_11.3.0_1
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. python3.9 : lang/python39
  4. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. gfortran12 : lang/gcc12
  2. python3.9 : lang/python39
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_pcmsolver
USES:
cmake compiler:c11 fortran python
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/PCMSolver/pcmsolver/tar.gz/v1.3.0?dummy=/
Collapse this list.

Number of commits found: 24

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.3.0_1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit 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)
1.3.0
07 Sep 2022 21:10:59
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit 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)
1.3.0
17 Jul 2022 20:48:20
commit hash: 0a9a46960255fb4ef17e1a6313d36e645d68314acommit hash: 0a9a46960255fb4ef17e1a6313d36e645d68314acommit hash: 0a9a46960255fb4ef17e1a6313d36e645d68314acommit hash: 0a9a46960255fb4ef17e1a6313d36e645d68314a files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/pcmsolver: Remove CMAKE_EXE_LINKER_FLAGS from cmake configure arguments

arm64 has build failures related to libgcc_s.so.1.
This change might cure these failures.
1.3.0
21 May 2022 04:35:33
commit hash: e4fe11f8366fd8b9910865c2a46871c1cb63d1f6commit hash: e4fe11f8366fd8b9910865c2a46871c1cb63d1f6commit hash: e4fe11f8366fd8b9910865c2a46871c1cb63d1f6commit hash: e4fe11f8366fd8b9910865c2a46871c1cb63d1f6 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/pcmsolver: Small fixes

* fix build with git present
* remove noninja (no longer needed)
* force python version
1.3.0
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
1.3.0
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
1.3.0
03 Dec 2020 10:49:32
Revision:556896Original commit files touched by this commit
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.3 -> 1.3.0

Reported by:	portscout
1.2.3_2
27 Oct 2019 19:19:07
Revision:515815Original commit files touched by this commit
pkubaj search for other commits by this committer
science/pcmsolver: fix build on GCC architectures

Use C++11 compiler.
Respect CC and CXX.

Include sys/types.h before including headers to make gid_t, uid_t available.

PR:		241465
Approved by:	yuri (maintainer), linimon (mentor)
1.2.3_2
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
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
1.2.3_1
22 Apr 2019 13:16:34
Revision:499638Original commit files touched by this commit
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
1.2.3
17 Feb 2019 02:36:15
Revision:493146Original commit files touched by this commit
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.2 -> 1.2.3

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

Reported by:	portscout
1.2.1_4
25 Dec 2018 20:25:40
Revision:488341Original commit files touched by this commit
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
1.2.1_4
22 Dec 2018 08:30:19
Revision:488077Original commit files touched by this commit
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
1.2.1_3
19 Dec 2018 06:09:27
Revision:487784Original commit files touched by this commit
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.
1.2.1_2
18 Dec 2018 23:25:00
Revision:487776Original commit files touched by this commit
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
1.2.1_2
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
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
1.2.1_1
29 Jul 2018 22:18:46
Revision:475857Original commit files touched by this commit
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
1.2.1
18 Jun 2018 14:40:31
Revision:472699Original commit files touched by this commit
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)
1.2.1
13 Jun 2018 17:00:28
Revision:472334Original commit files touched by this commit
yuri search for other commits by this committer
science/pcmsolver: Update 1.2.0 -> 1.2.1

Reported by:	portscout
1.2.0
28 Apr 2018 18:18:40
Revision:468559Original commit files touched by this commit
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.
1.1.11_1
10 Mar 2018 17:46:06
Revision:464084Original commit files touched by this commit
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).
1.1.11
14 Nov 2017 18:05:42
Revision:454184Original commit files touched by this commit
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: 24