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
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)
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 )
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.
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)
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
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
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
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.
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
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
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
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.
New port: science/pcmsolver: API for the Polarizable Continuum Model
Approved by: tcberner (mentor)
Differential Revision: https://reviews.freebsd.org/D13069
