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Port details
py-gpaw DFT and beyond within the projector-augmented wave method in chemistry
21.6.0 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 21.1.0Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-01 18:32:08
Last Update: 2021-08-09 01:57:37
Commit Hash: 6b47866
Also Listed In: python
License: GPLv3+
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}gpaw>0:science/py-gpaw@${PY_FLAVOR}
To install the port: cd /usr/ports/science/py-gpaw/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-gpaw
  • pkg install py38-gpaw
NOTE: This is a Python port. Instead of py38-gpaw listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py38-gpaw
Package flavors (<flavor>: <package>)
  • py38: py38-gpaw
distinfo:
Packages (timestamps in pop-ups are UTC):
py37-gpaw
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd64--
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd64--
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd64--
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch64--
FreeBSD:14:amd64--
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc6421.1.0-
 
py38-gpaw
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd6421.6.021.1.0
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd6421.6.021.6.0
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd6421.6.021.6.0
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch64--
FreeBSD:14:amd6421.6.0-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
  2. py38-setuptools>0 : devel/py-setuptools@py38
  3. python3.8 : lang/python38
Runtime dependencies:
  1. py38-ase>0 : science/py-ase@py38
  2. py38-matplotlib>0 : math/py-matplotlib@py38
  3. py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
  4. py38-scipy>=0 : science/py-scipy@py38
  5. py38-setuptools>0 : devel/py-setuptools@py38
  6. python3.8 : lang/python38
Library dependencies:
  1. libblas.so : math/blas
  2. libmpich.so : net/mpich
  3. libopenblas.so : math/openblas
  4. libxc.so : science/libxc
  5. libintl.so : devel/gettext-runtime
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

pkg-message:
If installing:
Master Sites:
Expand this list (2 items)
Collapse this list.
  1. https://files.pythonhosted.org/packages/source/g/gpaw/
  2. https://pypi.org/packages/source/g/gpaw/
Collapse this list.

Number of commits found: 22

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
09 Aug 2021 01:57:37
 files touched by this commit commit hash:6b478662db963a426c5f736c3d62402ac0d3f756  21.6.0
yuri search for other commits by this committer
science/py-gpaw: Update 21.1.0 -> 21.6.0
10 May 2021 20:13:20
 files touched by this commit commit hash:1d44af58980136b882d146f21d8776943a14c5eb  21.1.0
thierry search for other commits by this committer
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
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  21.1.0
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  21.1.0
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
15 Feb 2021 05:08:17
Original commit files touched by this commit Revision:565289  21.1.0
yuri search for other commits by this committer
science/py-gpaw: Update 20.10.0 -> 21.1.0
24 Dec 2020 13:46:02
Original commit files touched by this commit Revision:559094  20.10.0
kai search for other commits by this committer
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)
14 Nov 2020 08:17:56
Original commit files touched by this commit Revision:555094  20.10.0
yuri search for other commits by this committer
science/py-gpaw: Update 1.5.2 -> 20.10.0
17 May 2020 18:33:45
Original commit files touched by this commit Revision:535640  1.5.2_3
antoine search for other commits by this committer
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
06 May 2020 16:11:15
Original commit files touched by this commit Revision:534185  1.5.2_3
yuri search for other commits by this committer
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas.
30 Jan 2020 14:17:44
Original commit files touched by this commit Revision:524642  1.5.2_2
swills search for other commits by this committer
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
14 Aug 2019 12:16:13
Original commit files touched by this commit Revision:508909  1.5.2_1
mat search for other commits by this committer
Convert to UCL & cleanup pkg-message (categories s)
28 Jul 2019 18:52:00
Original commit files touched by this commit Revision:507523  1.5.2_1
antoine search for other commits by this committer
Unbreak bulk
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  1.5.2_1
gerald search for other commits by this committer
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
09 May 2019 20:12:52
Original commit files touched by this commit Revision:501146  1.5.2
yuri search for other commits by this committer
science/py-gpaw: Update 1.5.1 -> 1.5.2

Reported by:	portscout
10 Apr 2019 06:18:32
Original commit files touched by this commit Revision:498530  1.5.1_1
antoine search for other commits by this committer
Bump a few PORTREVISIONs after r498529

With hat:	portmgr
26 Jan 2019 05:31:45
Original commit files touched by this commit Revision:491239  1.5.1
yuri search for other commits by this committer
science/py-gpaw: Update 1.5.0 -> 1.5.1

Reported by:	portscout
15 Jan 2019 18:29:45
Original commit files touched by this commit Revision:490398  1.5.0
yuri search for other commits by this committer
science/py-gpaw: Update 1.4.0 -> 1.5.0

Reported by:	portscout
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  1.4.0_3
gerald search for other commits by this committer
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
30 Oct 2018 04:38:26
Original commit files touched by this commit Revision:483446  1.4.0_2
yuri search for other commits by this committer
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.
20 Oct 2018 23:29:28
Original commit files touched by this commit Revision:482633  1.4.0_2
yuri search for other commits by this committer
science/libxc: Update 3.0.0 -> 4.2.3

PR:		231648
Approved by:	dieterich@ogolem.org (maintainer's timeout; 27 days)
22 Sep 2018 16:36:38
Original commit files touched by this commit Revision:480395  1.4.0_1
yuri search for other commits by this committer
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
01 Sep 2018 18:31:54
Original commit files touched by this commit Revision:478713  1.4.0
yuri search for other commits by this committer
New port: science/py-gpaw:  DFT and beyond within the projector-augmented wave
method in chemistry

Number of commits found: 22