Port details |
- atompaw Tool for projector augmented wave functions for molecular simulations
- 4.2.0.3_2 science
=2 4.2.0.3_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
 - Port Added: 2018-06-14 05:53:10
- Last Update: 2025-01-24 12:18:28
- Commit Hash: 6cce1f5
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: GPLv3
- WWW:
- https://users.wfu.edu/natalie/papers/pwpaw/
- Description:
- atompaw is a tool to generate projector and basis functions needed for
performing electronic structure calculations based on the projector
augmented wave (PAW) method.
PAW method is based on the publication
http://www.sciencedirect.com/science/article/pii/S0370157300000077
¦ ¦ ¦ ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- atompaw>0:science/atompaw
- To install the port:
- cd /usr/ports/science/atompaw/ && make install clean
- To add the package, run one of these commands:
- pkg install science/atompaw
- pkg install atompaw
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: atompaw
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1690356331
SHA256 (atompaw-4.2.0.3.tar.gz) = 9fd4f9b60e793eee10aead4296e89f0bd6e8612b729a15e2401bbd90e4e9dd2d
SIZE (atompaw-4.2.0.3.tar.gz) = 5824502
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- liblapack.so : math/lapack
- libblas.so : math/blas
- libxc.so : science/libxc
- This port is required by:
- for Run
-
- science/abinit
Configuration Options:
- ===> The following configuration options are available for atompaw-4.2.0.3_2:
DOCS=on: Build and/or install documentation
LIBXC=on: Build with libxc
===> Use 'make config' to modify these settings
- Options name:
- science_atompaw
- USES:
- fortran gmake libtool
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
4.2.0.3_2 24 Jan 2025 12:18:28
    |
Thierry Thomas (thierry)  |
*/*: bump PORTREVISION to chase blas/lapack, Suitesparse and BLIS |
4.2.0.3_1 01 Jan 2024 11:49:51
    |
Thierry Thomas (thierry)  |
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0
PR: 275860 |
4.2.0.3 26 Jul 2023 07:48:45
    |
Yuri Victorovich (yuri)  |
science/atompaw: Update 4.2.0.2 → 4.2.0.3
Reported by: portscout |
4.2.0.2_3 23 Apr 2023 09:09:58
    |
Gerald Pfeifer (gerald)  |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
4.2.0.2_2 05 Nov 2022 14:47:18
    |
Thierry Thomas (thierry)  |
science/*: bump PORTREVISION in consumers of libXC |
4.2.0.2_1 17 Oct 2022 18:36:23
    |
Yuri Victorovich (yuri)  |
science/atompaw: Upstream re-rolled the release
libxc dependency was added.
PR: 267087
Reported by: diizzy@ |
4.2.0.2 13 Oct 2022 07:52:44
    |
Yuri Victorovich (yuri)  |
science/atompaw: Update 4.2.0.1 -> 4.2.0.2
Reported by: portscout |
07 Sep 2022 21:58:51
    |
Stefan Eßer (se)  |
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) |
4.2.0.1 07 Sep 2022 21:10:59
    |
Stefan Eßer (se)  |
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 ) |
4.2.0.1 14 Jun 2022 03:26:14
    |
Yuri Victorovich (yuri)  |
science/atompaw: Update 4.2.0.0 -> 4.2.0.1
Reported by: portscout |
4.2.0.0 27 Mar 2022 03:19:39
    |
Yuri Victorovich (yuri)  |
science/atompaw: Update 4.1.1.0 -> 4.2.0.0
Reported by: portscout |
4.1.1.0 07 Apr 2021 08:09:01
    |
Mathieu Arnold (mat)  |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
4.1.1.0 06 Apr 2021 14:31:07
    |
Mathieu Arnold (mat)  |
Remove # $FreeBSD$ from Makefiles. |
4.1.1.0 29 Jan 2021 21:59:39
  |
yuri  |
science/atompaw: Update 4.1.0.6 -> 4.1.1.0
Reported by: portscout |
4.1.0.6_1 05 Jan 2020 11:52:46
  |
antoine  |
atompaw is actually fetchable |
4.1.0.6_1 05 Jan 2020 10:26:04
  |
antoine  |
Mark a few ports broken (unfetchable) |
4.1.0.6_1 26 Jul 2019 20:46:57
  |
gerald  |
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 |
4.1.0.6 28 Jun 2019 04:52:35
  |
yuri  |
science/atompaw: Update 4.1.0.5 -> 4.1.0.6
Reported by: portscout |
4.1.0.5_2 22 Apr 2019 13:16:34
  |
gerald  |
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 |
4.1.0.5_1 12 Dec 2018 01:35:36
  |
gerald  |
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 |
4.1.0.5 07 Dec 2018 07:50:57
  |
yuri  |
science/atompaw: Update 4.1.0.4 -> 4.1.0.5
Reported by: portscout |
4.1.0.4 20 Sep 2018 15:00:46
  |
yuri  |
science/atompaw: Update 4.1.0.3 -> 4.1.0.4
Reported by: portscout |
4.1.0.3_1 29 Jul 2018 22:18:46
  |
gerald  |
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.
This includes ports
- featuring USE_GCC=yes or USE_GCC=any,
- featuring USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and those
- with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.
PR: 222542 |
4.1.0.3 09 Jul 2018 00:31:18
  |
yuri  |
science/atompaw: Update 4.0.0.14 -> 4.1.0.3
Reported by: repology.org (missed by portscout) |
4.0.0.14 14 Jun 2018 05:52:57
  |
yuri  |
New port: science/atompaw: Tool for projector augmented wave functions for
molecular simulations |