| Port details |
- atompaw Tool for projector augmented wave functions for molecular simulations
- 4.2.0.1 science
 =0      Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-06-14 05:53:10
- Last Update: 2022-06-14 03:26:14
- Commit Hash: 74214bd
- License: BSD3CLAUSE
- 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
WWW: http://users.wfu.edu/natalie/papers/pwpaw/
- SVNWeb : git : Homepage
- 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 = 1655175684
SHA256 (atompaw-4.2.0.1.tar.gz) = d3476a5aa5f80f9430b81f28273c2c2a9b6e7d9c3d08c65544247bb76cd5a114
SIZE (atompaw-4.2.0.1.tar.gz) = 5823294
- 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:
-
- gfortran10 : lang/gcc10
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran10 : lang/gcc10
- Library dependencies:
-
- liblapack.so : math/lapack
- libblas.so : math/blas
- This port is required by:
- for Run
-
- science/abinit
- Configuration Options:
- ===> The following configuration options are available for atompaw-4.2.0.1:
DOCS=on: Build and/or install documentation
===> 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: see SVNWeb link above for full details) |
| Date | By | Description |
|---|
14 Jun 2022 03:26:14
  4.2.0.1 |
Yuri Victorovich (yuri) |
science/atompaw: Update 4.2.0.0 -> 4.2.0.1
Reported by: portscout |
27 Mar 2022 03:19:39
4.2.0.0 |
Yuri Victorovich (yuri) |
science/atompaw: Update 4.1.1.0 -> 4.2.0.0
Reported by: portscout |
07 Apr 2021 08:09:01
4.1.1.0 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
06 Apr 2021 14:31:07
4.1.1.0 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
29 Jan 2021 21:59:39
  4.1.1.0 |
yuri |
science/atompaw: Update 4.1.0.6 -> 4.1.1.0
Reported by: portscout |
05 Jan 2020 11:52:46
4.1.0.6_1 |
antoine |
atompaw is actually fetchable |
05 Jan 2020 10:26:04
4.1.0.6_1 |
antoine |
Mark a few ports broken (unfetchable) |
26 Jul 2019 20:46:57
4.1.0.6_1 |
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 |
28 Jun 2019 04:52:35
4.1.0.6 |
yuri |
science/atompaw: Update 4.1.0.5 -> 4.1.0.6
Reported by: portscout |
22 Apr 2019 13:16:34
4.1.0.5_2 |
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 |
12 Dec 2018 01:35:36
4.1.0.5_1 |
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 |
07 Dec 2018 07:50:57
4.1.0.5 |
yuri |
science/atompaw: Update 4.1.0.4 -> 4.1.0.5
Reported by: portscout |
20 Sep 2018 15:00:46
4.1.0.4 |
yuri |
science/atompaw: Update 4.1.0.3 -> 4.1.0.4
Reported by: portscout |
29 Jul 2018 22:18:46
4.1.0.3_1 |
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 |
09 Jul 2018 00:31:18
4.1.0.3 |
yuri |
science/atompaw: Update 4.0.0.14 -> 4.1.0.3
Reported by: repology.org (missed by portscout) |
14 Jun 2018 05:52:57
4.0.0.14 |
yuri |
New port: science/atompaw: Tool for projector augmented wave functions for
molecular simulations |
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