Port details |
- pcmsolver API for the Polarizable Continuum Model
- 1.3.0_1 science =2 1.3.0_1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2017-11-14 18:05:52
- Last Update: 2024-11-03 04:44:18
- Commit Hash: d2f48d8
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- 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
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - 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):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- cmake : devel/cmake-core
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- as : devel/binutils
- Test dependencies:
-
- python3.11 : lang/python311
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- 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:
|
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
1.3.0_1 03 Nov 2024 04:44:18 |
Yuri Victorovich (yuri) |
science/pcmsolver: Broken on 15 with clang-19
Reported by: fallout |
1.3.0_1 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
07 Sep 2022 21:58:51 |
Stefan Eßer (se) |
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 |
Stefan Eßer (se) |
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 ) |
1.3.0 17 Jul 2022 20:48:20 |
Yuri Victorovich (yuri) |
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 |
Yuri Victorovich (yuri) |
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 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
1.3.0 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
1.3.0 03 Dec 2020 10:49:32 |
yuri |
science/pcmsolver: Update 1.2.3 -> 1.3.0
Reported by: portscout |
1.2.3_2 27 Oct 2019 19:19:07 |
pkubaj |
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 |
gerald |
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 |
gerald |
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 |
yuri |
science/pcmsolver: Update 1.2.2 -> 1.2.3
Reported by: portscout |
1.2.2 31 Jan 2019 04:57:30 |
yuri |
science/pcmsolver: Update 1.2.1 -> 1.2.2
Reported by: portscout |
1.2.1_4 25 Dec 2018 20:25:40 |
tcberner |
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 |
yuri |
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 |
yuri |
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 |
antoine |
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 |
gerald |
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 |
gerald |
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 |
linimon |
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 |
yuri |
science/pcmsolver: Update 1.2.0 -> 1.2.1
Reported by: portscout |
1.2.0 28 Apr 2018 18:18:40 |
yuri |
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 |
gerald |
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 |
yuri |
New port: science/pcmsolver: API for the Polarizable Continuum Model
Approved by: tcberner (mentor)
Differential Revision: https://reviews.freebsd.org/D13069 |