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We just rebooted with several updates: * new HMTLify code * no port maintainer is now highly visible (e.g. https://freshports.org/security/sssd/) * fixed search logic error when using plain/ text details at https://github.com/FreshPorts/freshports/releases/tag/2.2.34
Port details
py-gpaw DFT and beyond within the projector-augmented wave method in chemistry
22.1.0_1 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 Version 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: 2023-01-11 15:58:34
Commit Hash: 77d6847
Also Listed In: python
License: GPLv3+
Description:
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb
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 py39-gpaw
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
NOTE: This is a Python port. Instead of py39-gpaw listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py39-gpaw
Package flavors (<flavor>: <package>)
  • py39: py39-gpaw
distinfo:

Packages (timestamps in pop-ups are UTC):
py38-gpaw
ABIlatestquarterly
FreeBSD:11:aarch64pkg-falloutpkg-fallout
FreeBSD:11:amd6421.6.021.1.0
FreeBSD:11:armv6pkg-falloutpkg-fallout
FreeBSD:11:i386pkg-falloutpkg-fallout
FreeBSD:11:mipspkg-falloutpkg-fallout
FreeBSD:11:mips64pkg-falloutpkg-fallout
FreeBSD:12:aarch64pkg-falloutpkg-fallout
FreeBSD:12:amd64pkg-falloutpkg-fallout
FreeBSD:12:armv6pkg-falloutpkg-fallout
FreeBSD:12:armv7pkg-falloutpkg-fallout
FreeBSD:12:i386pkg-falloutpkg-fallout
FreeBSD:12:mipspkg-falloutpkg-fallout
FreeBSD:12:mips64pkg-falloutpkg-fallout
FreeBSD:12:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:aarch64pkg-falloutpkg-fallout
FreeBSD:13:amd64pkg-falloutpkg-fallout
FreeBSD:13:armv6pkg-falloutpkg-fallout
FreeBSD:13:armv7pkg-falloutpkg-fallout
FreeBSD:13:i386pkg-falloutpkg-fallout
FreeBSD:13:mipspkg-falloutpkg-fallout
FreeBSD:13:mips64pkg-falloutpkg-fallout
FreeBSD:13:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:riscv64pkg-falloutpkg-fallout
FreeBSD:14:aarch64pkg-falloutpkg-fallout
FreeBSD:14:amd64pkg-falloutpkg-fallout
FreeBSD:14:armv6pkg-falloutpkg-fallout
FreeBSD:14:armv7pkg-falloutpkg-fallout
FreeBSD:14:i386pkg-falloutpkg-fallout
FreeBSD:14:mipspkg-falloutpkg-fallout
FreeBSD:14:mips64pkg-falloutpkg-fallout
FreeBSD:14:powerpc64pkg-falloutpkg-fallout
FreeBSD:14:riscv64pkg-falloutpkg-fallout
 
py39-gpaw
ABIlatestquarterly
FreeBSD:11:aarch64pkg-falloutpkg-fallout
FreeBSD:11:amd64pkg-falloutpkg-fallout
FreeBSD:11:armv6pkg-falloutpkg-fallout
FreeBSD:11:i386pkg-falloutpkg-fallout
FreeBSD:11:mipspkg-falloutpkg-fallout
FreeBSD:11:mips64pkg-falloutpkg-fallout
FreeBSD:12:aarch64pkg-falloutpkg-fallout
FreeBSD:12:amd6422.1.0_122.1.0_1
FreeBSD:12:armv6pkg-falloutpkg-fallout
FreeBSD:12:armv7pkg-falloutpkg-fallout
FreeBSD:12:i386pkg-falloutpkg-fallout
FreeBSD:12:mipspkg-falloutpkg-fallout
FreeBSD:12:mips64pkg-falloutpkg-fallout
FreeBSD:12:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:aarch64pkg-falloutpkg-fallout
FreeBSD:13:amd6422.1.0_122.1.0_1
FreeBSD:13:armv6pkg-falloutpkg-fallout
FreeBSD:13:armv7pkg-falloutpkg-fallout
FreeBSD:13:i386pkg-falloutpkg-fallout
FreeBSD:13:mipspkg-falloutpkg-fallout
FreeBSD:13:mips64pkg-falloutpkg-fallout
FreeBSD:13:powerpc64pkg-falloutpkg-fallout
FreeBSD:13:riscv64pkg-falloutpkg-fallout
FreeBSD:14:aarch64pkg-falloutpkg-fallout
FreeBSD:14:amd6422.1.0_1pkg-fallout
FreeBSD:14:armv6pkg-falloutpkg-fallout
FreeBSD:14:armv7pkg-falloutpkg-fallout
FreeBSD:14:i386pkg-falloutpkg-fallout
FreeBSD:14:mipspkg-falloutpkg-fallout
FreeBSD:14:mips64pkg-falloutpkg-fallout
FreeBSD:14:powerpc64pkg-falloutpkg-fallout
FreeBSD:14:riscv64pkg-falloutpkg-fallout
 
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py39-numpy>=1.16,1<1.24,1 : math/py-numpy@py39
  2. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  3. python3.9 : lang/python39
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. py39-ase>0 : science/py-ase@py39
  2. py39-matplotlib>0 : math/py-matplotlib@py39
  3. py39-numpy>=1.16,1<1.24,1 : math/py-numpy@py39
  4. py39-scipy>=0 : science/py-scipy@py39
  5. gpaw-setups>0 : science/gpaw-setups
  6. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  7. python3.9 : lang/python39
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:
For install:
WWW: https://wiki.fysik.dtu.dk/gpaw/
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.
Notes from UPDATING
These upgrade notes are taken from /usr/ports/UPDATING
  • 2017-11-30
    Affects: */py*
    Author: mat@FreeBSD.org
    Reason: 
      Ports using Python via USES=python are now flavored.  All the py3-* ports
      have been removed and folded into their py-* master ports.
    
      People using Poudriere 3.2+ and binary packages do not have to do anything.
    
      For other people, to build the Python 3.6 version of, for example,
      databases/py-gdbm, you need to run:
    
        # make FLAVOR=py36 install
    
    

Number of commits found: 28

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
22.1.0_1
11 Jan 2023 15:58:34
commit hash:77d68471aded6907dbbcb5ef50d557e4c69db656commit hash:77d68471aded6907dbbcb5ef50d557e4c69db656commit hash:77d68471aded6907dbbcb5ef50d557e4c69db656commit hash:77d68471aded6907dbbcb5ef50d557e4c69db656 files touched by this commit
Dmitry Marakasov (amdmi3) search for other commits by this committer
*/*: rename CHEESESHOP to PYPI in MASTER_SITES

PR:			267994
Differential revision:	D37518
Approved by:		bapt
22.1.0_1
05 Nov 2022 14:47:18
commit hash:cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash:cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash:cceff449fd65e82dae764ff16b72000d1cd0454bcommit hash:cceff449fd65e82dae764ff16b72000d1cd0454b files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
science/*: bump PORTREVISION in consumers of libXC
07 Sep 2022 21:58:51
commit hash:fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash:fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash:fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash:fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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)
22.1.0
07 Sep 2022 21:10:59
commit hash:b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash:b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash:b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash:b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit
Stefan Eßer (se) search for other commits by this committer
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 View all of this commit message)
22.1.0
13 Jan 2022 10:25:40
commit hash:b31f2fdb7c3160909555a13d39c47154e31efb98commit hash:b31f2fdb7c3160909555a13d39c47154e31efb98commit hash:b31f2fdb7c3160909555a13d39c47154e31efb98commit hash:b31f2fdb7c3160909555a13d39c47154e31efb98 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-gpaw: Update 21.6.0 -> 22.1.0
21.6.0_1
04 Jan 2022 07:37:50
commit hash:87381e8dc3a88f05f15277e154f1c80f7d9a2f3bcommit hash:87381e8dc3a88f05f15277e154f1c80f7d9a2f3bcommit hash:87381e8dc3a88f05f15277e154f1c80f7d9a2f3bcommit hash:87381e8dc3a88f05f15277e154f1c80f7d9a2f3b files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-gpaw: Fix missing MPI symbol; Add missing gpaw-setups dependency
21.6.0
09 Aug 2021 01:57:37
commit hash:6b478662db963a426c5f736c3d62402ac0d3f756commit hash:6b478662db963a426c5f736c3d62402ac0d3f756commit hash:6b478662db963a426c5f736c3d62402ac0d3f756commit hash:6b478662db963a426c5f736c3d62402ac0d3f756 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-gpaw: Update 21.1.0 -> 21.6.0
21.1.0
10 May 2021 20:13:20
commit hash:1d44af58980136b882d146f21d8776943a14c5ebcommit hash:1d44af58980136b882d146f21d8776943a14c5ebcommit hash:1d44af58980136b882d146f21d8776943a14c5ebcommit hash:1d44af58980136b882d146f21d8776943a14c5eb files touched by this commit
Thierry Thomas (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
21.1.0
07 Apr 2021 08:09:01
commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
21.1.0
06 Apr 2021 14:31:07
commit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344ebcommit hash:305f148f482daf30dcf728039d03d019f88344eb files touched by this commit
Mathieu Arnold (mat) search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
21.1.0
15 Feb 2021 05:08:17
Revision:565289Original commit files touched by this commit
yuri search for other commits by this committer
science/py-gpaw: Update 20.10.0 -> 21.1.0
20.10.0
24 Dec 2020 13:46:02
Revision:559094Original commit files touched by this commit
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)
20.10.0
14 Nov 2020 08:17:56
Revision:555094Original commit files touched by this commit
yuri search for other commits by this committer
science/py-gpaw: Update 1.5.2 -> 20.10.0
1.5.2_3
17 May 2020 18:33:45
Revision:535640Original commit files touched by this commit
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
1.5.2_3
06 May 2020 16:11:15
Revision:534185Original commit files touched by this commit
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.
1.5.2_2
30 Jan 2020 14:17:44
Revision:524642Original commit files touched by this commit
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
1.5.2_1
14 Aug 2019 12:16:13
Revision:508909Original commit files touched by this commit
mat search for other commits by this committer
Convert to UCL & cleanup pkg-message (categories s)
1.5.2_1
28 Jul 2019 18:52:00
Revision:507523Original commit files touched by this commit
antoine search for other commits by this committer
Unbreak bulk
1.5.2_1
26 Jul 2019 20:46:57
Revision:507372Original commit files touched by this commit
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
1.5.2
09 May 2019 20:12:52
Revision:501146Original commit files touched by this commit
yuri search for other commits by this committer
science/py-gpaw: Update 1.5.1 -> 1.5.2

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

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

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

Reported by:	portscout
1.4.0_3
12 Dec 2018 01:35:36
Revision:487272Original commit files touched by this commit
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
1.4.0_2
30 Oct 2018 04:38:26
Revision:483446Original commit files touched by this commit
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.
1.4.0_2
20 Oct 2018 23:29:28
Revision:482633Original commit files touched by this commit
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)
1.4.0_1
22 Sep 2018 16:36:38
Revision:480395Original commit files touched by this commit
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
1.4.0
01 Sep 2018 18:31:54
Revision:478713Original commit files touched by this commit
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: 28