science/octopus: update 15.1 → 16.0

*/*: Bump PORTREVISION after math/nlopt update

*/*: bump PORTREVISION to chase blas/lapack, Suitesparse and BLIS

science/octopus: update 13.0 → 15.1

science/octopus: builds fine on aarch64

Approved by:	portmgr (build fix blanket)

*/*: Bump PORTVERSION of math/nlopt consumers

..due to shlib change

science/octopus: Attempt to fix build on i386

Reported by:	fallout

graphics/tiff: Update to 4.6.0

PR:		278577
Exp-run by:	antoine

science/octopus: Move man pages to share/man

Approved by:	portmgr (blanket)

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

PR:		275860

science/octopus: update 11.4 → 13.0

science/{,py-}spglib: update 2.0.2 → 2.1.0

Reported by:	portscout

*/*: Bump jpeg-turbo users treewide

New major version 3.0.0

*: Bump PORTREVISIONs for math/mpc update to 1.3.1

science/*: bump PORTREVISION in consumers of libXC

science/octopus: Add USE_GCC=11

octopus isn't yet compatible with gcc-12.

PR:		266196
Reported by:	salvadore@

science/spglib: Update 1.16.5 -> 2.0.1

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.

science/octopus: Cosmetic changes

science/octopus: Update 11.3 -> 11.4

science/octopus: Broken on aarch64

Reported by:	portscout

math/gsl: bump portrevision of consumers after update to 2.7.1

PR:		260201

science/octopus: Backport the fix for testsuite

science/octopus: Update 10.5 -> 11.3

science/[,py-]spglib: Update 1.16.1 -> 1.16.2

Reported by:	portscout

science/octopus: Update 10.3 -> 10.5

math/gsl: update to 2.7

From [1]

* What is new in gsl-2.7:
	* fixed doc bug for gsl_histogram_min_bin (lhcsky at 163.com)
	* fixed bug #60335 (spmatrix test failure, J. Lamb)
	* fixed bug #36577
	* clarified documentation on interpolation accelerators (V. Krishnan)
	* fixed bug #45521 (erroneous GSL_ERROR_NULL in ode-initval2, thanks to M.
Sitte)
	* fixed doc bug #59758
	* fixed bug #58202 (rstat median for n=5)
	* added support for native C complex number types in gsl_complex
	   when using a C11 compiler
	* upgraded to autoconf 2.71, automake 1.16.3, libtool 2.4.6

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

Remove # $FreeBSD$ from Makefiles.

science/octopus: Update 10.1 -> 10.3

Add workaround for new failure with Fortran GCC 10 frontend:

  BOZ literal constant at (1) is neither a data-stmt-constant nor an actual
argument to INT, REAL, DBLE, or CMPLX intrinsic function

PR:		246700
Approved by:	maintainer

science/octopus: Update 9.2 -> 10.1

Mark BROKEN

gfortran9 -I/usr/local/include -ffree-line-length-none
-Wl,-rpath=/usr/local/lib/gcc9 -fopenmp -I ../external_libs/bpdn -I
../external_libs/dftd3 -I ../external_libs/spglib-1.9.9/src/ -I /usr/include  
-I/usr/include -I /include  -c  -o species/atomic.o species/atomic_oct.f90
f951: Warning: Nonexistent include directory
'../external_libs/spglib-1.9.9/src/' [-Wmissing-include-dirs]
f951: Warning: Nonexistent include directory '/include' [-Wmissing-include-dirs]
species/atomic.F90:299:26:

  299 |     type(XC_F90(pointer_t)) :: x_conf, c_conf
      |                          1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined
species/atomic.F90:300:26:

  300 |     type(XC_F90(pointer_t)) :: x_info, c_info
      |                          1
Error: Derived type 'xc_f90_pointer_t' at (1) is being used before it is defined

- update libgd to 2.3.0
- new option RAQM
- resurrect deprecated gdlib-config
- bump dependend ports

science/octopus: Update 8.4 -> 9.2

science/octopus: Correct URL

science/octopus: Unbreak by correcting MASTER_SITES: the project has moved to a
new URL

Deprecate ports broken for more than 6 months

Mark a few ports BROKEN (unfetchable)

math/gsl: update to 2.6

- math/p5-Math-GSL does not seem to have any upstream activity to make it work
with this version -> mark it broken
  - this also breaks the two consumers of this port

- biology/gemma: has a conflict with cblas, and is makred broken.

PR:		241363
Exp-run by:	antoine

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

Clean up LIB_DEPENDS

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/octopus: Update 8.3 -> 8.4

science/octopus: patches

science/octopus: Unbundle spglib; Add OPENMP option that makes it parallelized
by default

science/octopus: Update 8.2 -> 8.3

Reported by:	repology

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/libxc: Update 3.0.0 -> 4.2.3

PR:		231648
Approved by:	dieterich@ogolem.org (maintainer's timeout; 27 days)

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

New port: science/octopus: Scientific program aimed at the ab initio virtual
experimentation