*/*: bump PORTREVISION after the upgrade to OpenBLAS

science/{,py-}dftbplus: update 23.1 → 24.1

*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860

*/*: Sunset 12.4-RELEASE/12-STABLE from ports tree

- Remove all references to defunct ARCH arm
- Remove all references to defunct ARCH sparc64
- Remove x11-drivers/xf86-video-sunffb which requires defunct sparc64
  ARCH
- Remove sysutils/afbinit requires defunct sparc64 ARCH
- Remove all references to bktr driver
- Remove all references to defunct FreeBSD_12
- Remove all references to OSVERSION/OSREL corresponding to 12
- Remove conditionals in Mk/Uses/cabal.mk
- Remove sparc reference from Mk/Uses/qt-dist.mk
- Remove BROKEN_sparc64/NOT_FOR_ARCH=sparc64
- Remove BROKEN_FreeBSD_12* from:
- Remove OpenSSL patches from:
- Remove conditional flags for OSVERSION >= 1300000 to fixed flags.
  Also move conditional flags for non sparc64/arm ARCH to fixed flags.

Reviewed by:	brooks, jbeich, rene, salvadore
Differential Revision: https://reviews.freebsd.org/D42068

*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219

*/*: bump PORTREVISION after the upgrade of MPICH to 4.1.2

science/simple-dftd3: Update 0.6.0 → 1.0.0

Switch to the main project GH account from the development fork.

science/{,py-}dftbplus: Update 22.2 → 23.1

Reported by:	portscout

science/dftbplus: Update 22.1 → 22.2

Reported by:	portscout

*: Bump PORTREVISIONs for math/mpc update to 1.3.1

science/dftbplus: enable on 13 / powerpc{,64le}

science/dftbplus: enable on 13/powerpc64

Fixed on releng/13.2.

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.

textproc/toml-f: Update 0.2.3 -> 0.3.0

Reported by:	portscout

science/dftbplus: unbreak on powerpc* / main

Builds fine.

science/dftbplus: Update 21.2 -> 22.1

Major overhaul:
- add many options for dependencies
- use external packages instead of bundled dependencies

Reported by:	portscout

science/dftbplus: Fix tests

science/dftbplus: Update 19.1 -> 21.2

science/dftbplus: fix BROKEN message

science/dftbplus: Broken on aarch64, powerpc* due to lack of IEEE754 support in
gcc

science/dftbplus: mark BROKEN the same way on powerc64le/aarch64

  as already marked on powerpc64.

Approved by:	portmgr (tier-2 blanket)

One more small cleanup, forgotten yesterday.
Reported by:	lwhsu

Remove # $FreeBSD$ from Makefiles.

Add workaround for new failure with Fortran GCC 10 frontend:

  Type mismatch between actual argument at (1) and actual argument at (2)
(COMPLEX(8)/CHARACTER(*)).

PR:		246700
Approved by:	maintainer

science/dftbplus: Change to python3.

Mark as BROKEN on powerpc64:

  lbfgs.f90:18:19:
   18 |   use, intrinsic :: ieee_arithmetic
  Fatal Error: Cannot find an intrinsic module named 'ieee_arithmetic' at (1)

Approved by:	portmgr (tier-2 blanket)

Deprecate a few ports

With hat:	portmgr

science/dftbplus: Update 18.2 -> 19.1

Reported by:	portscout

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

science/dftbplus: Unbreak build with GCC 9

/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.0':
coulomb.f90:(.text+0x42): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x176): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
/usr/local/bin/ld: coulomb.o: in function `__coulomb_MOD_invrstress._omp_fn.1':
coulomb.f90:(.text+0xfbc): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_start'
/usr/local/bin/ld: coulomb.f90:(.text+0x1172): undefined reference to
`GOMP_loop_maybe_nonmonotonic_runtime_next'
[...]

PR:		238666
Submitted by:	jbeich
Reported by:	antoine (via exp-run in PR 238330)
Approved by:	yuri (maintainer timeout, 2 weeks)

science/dftbplus: Fix libomp.so in LDFLAGS (this also might fix the breakage on
13)

devel/openmp: phase out

- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)

PR:		236907
Approved by:	bapt (maintainer)
Differential Revision:	https://reviews.freebsd.org/D19767

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

- science/dftbplus is not compatible with python3
- clean up plist

PR:		234633

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

science/dftbplus science/mbdyn science/octopus: Change from math/arpack to
math/arpack-ng

Change 20 ports from net/mpich2 to net/mpich

mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich

science/dftbplus: Correct license; Correct patches

Port changes:
* Change LICENSE to GPLv3: LGPL3+ combined with GPLv1+ yields GPLv3
* Remove some unnecessary patches, also correct patch, binaries don't change

science/dftbplus: Update license; Add the 'test' target; etc.

Port changes:
* Fix the mistake in LICENSE
* Add the 'test' target, bundle the test potentials for it
* Update COMMENT to include a commonly known name for this package
* Pass build params via MAKE_ARGS, remove unnecessary patch related to this
* Add a patch to the makefile to print build parameters

science/dftbplus: Fix ARPACK handling; Link with clang; etc

* ARPACK option is for non-MPI build only
* Make it link using clang
* Add openmp dependency

New port: science/dftbplus: Package for performing fast atomistic simulations