science/py-gpaw: update 22.1.0 → 24.6.0

*/*: bump PORTREVISION after the upgrade to OpenBLAS

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

PR:		275860

*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219

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

all: remove explicit versions in USES=python for "3.x+"

The logic in USES=python will automatically convert this to 3.8+ by
itself.

Adjust two ports that only had Python 3.7 mentioned but build fine
on Python 3.8 too.

finance/quickfix: mark BROKEN with PYTHON

libtool: compile:  c++ -DHAVE_CONFIG_H -I. -I../.. -I -I. -I.. -I../.. -I../C++
-DLIBICONV_PLUG -DPYTHON_MAJOR_VERSION=3 -Wno-unused-variable
-Wno-maybe-uninitialized -O2 -pipe -DLIBICONV_PLUG -fstack-protector-strong
-fno-strict-aliasing -DLIBICONV_PLUG -Wall -ansi
-Wno-unused-command-line-argument -Wpointer-arith -Wwrite-strings
-Wno-overloaded-virtual -Wno-deprecated-declarations -Wno-deprecated -std=c++0x
-MT _quickfix_la-QuickfixPython.lo -MD -MP -MF
.deps/_quickfix_la-QuickfixPython.Tpo -c QuickfixPython.cpp  -fPIC -DPIC -o
.libs/_quickfix_la-QuickfixPython.o
warning: unknown warning option '-Wno-maybe-uninitialized'; did you mean
'-Wno-uninitialized'? [-Wunknown-warning-option]
QuickfixPython.cpp:175:11: fatal error: 'Python.h' file not found
          ^~~~~~~~~~
1 warning and 1 error generated.

Reviewed by:	portmgr, vishwin, yuri
Differential Revision:	<https://reviews.freebsd.org/D40568>

*: Bump PORTREVISIONs for math/mpc update to 1.3.1

*/*: rename CHEESESHOP to PYPI in MASTER_SITES

PR:			267994
Differential revision:	D37518
Approved by:		bapt

science/*: bump PORTREVISION in consumers of libXC

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/py-gpaw: Update 21.6.0 -> 22.1.0

science/py-gpaw: Fix missing MPI symbol; Add missing gpaw-setups dependency

science/py-gpaw: Update 21.1.0 -> 21.6.0

math/py-matplotlib: chase minimum Python version in dependent ports

Since the previous update changed USES=python from 3.6+ to 3.7+, all
dependent ports must have USES=python:3.7+ as well, otherwise it breaks
the @py36 flavor.

PR:		255347
Reported by:	sunpoet

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

Remove # $FreeBSD$ from Makefiles.

science/py-gpaw: Update 20.10.0 -> 21.1.0

Relax hardcoded paths to fix build with Python 3.8.7

Since r558913 Python 3.8 incorporates BPO-42604 [1] which changed the
shared libs naming scheme.  This means "EXT_SUFFIX" is now derived from
SOABI and yields with Python 3.8 to ".cpython-38.so" instead of ".so".

The affected ports strip the libaries in the "post-install" target via
hardcoded path(s) and the build fails at the end because the new extension
is not expected at this place.

Remedy the issue by adding wildcards to these paths.  This should also
prepare the ports for future Python releases, which will use the new shared
libs naming scheme.

[1] https://bugs.python.org/issue42604

PR:		252057
Reported by:	John Kennedy
Reviewed by:	fluffy, koobs
Approved by:	koobs (python)

science/py-gpaw: Update 1.5.2 -> 20.10.0

Mark BROKEN

cc -Wno-unused-result -Wsign-compare -Wunreachable-code -DNDEBUG -O2 -pipe
-fstack-protector-strong -fno-strict-aliasing -O2 -pipe -fstack-protector-strong
-isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include
-fPIC -DNPY_NO_DEPRECATED_API=7 -UNDEBUG
-I/usr/local/lib/python3.7/site-packages/numpy/core/include
-I/usr/local/include/python3.7m -c c/xc/revtpss_c_pbe.c -o
build/temp.freebsd-11.3-RELEASE-p9-amd64-3.7/c/xc/revtpss_c_pbe.o -Wall
-Wno-unknown-pragmas -std=c99
c/xc/revtpss_c_pbe.c:70:72: error: too few arguments to function call, expected
8, have 7
    XC(lda)(gga_p, np, rho, &(pt->ecunif), pt->vcunif, pt->fcunif, NULL);
    ~~~~~~~                                                            ^

Reported by:	pkg-fallout

Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas.

Fix math/openblas and bump dependent ports

* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]

This is correcting issues from r523749 [1][2][4] and r515970 [3]

PR:		231371
Reported by:	build cluster [1]
Reported by:	Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by:	many [5]
Reviewed by:	mat, bapt
Approved by:	implicit, since this is a build fix

Convert to UCL & cleanup pkg-message (categories s)

Unbreak bulk

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/py-gpaw: Update 1.5.1 -> 1.5.2

Reported by:	portscout

Bump a few PORTREVISIONs after r498529

With hat:	portmgr

science/py-gpaw: Update 1.5.0 -> 1.5.1

Reported by:	portscout

science/py-gpaw: Update 1.4.0 -> 1.5.0

Reported by:	portscout

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/py-gpaw: Add pkg-message; Add LICENSE_FILE; Change /usr/local to
LOCALBASE

pkg-message explains to the user that gpaw-setups is needed for this package.

science/libxc: Update 3.0.0 -> 4.2.3

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

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

New port: science/py-gpaw:  DFT and beyond within the projector-augmented wave
method in chemistry