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Port details
atompaw Tool for projector augmented wave functions for molecular simulations
4.2.0.3_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 4.2.0.3_1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-06-14 05:53:10
Last Update: 2024-01-01 11:49:51
Commit Hash: f2489ab
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
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (5 items)
Collapse this list.
  1. bin/atompaw
  2. bin/graphatom
  3. /usr/local/share/licenses/atompaw-4.2.0.3_1/catalog.mk
  4. /usr/local/share/licenses/atompaw-4.2.0.3_1/LICENSE
  5. /usr/local/share/licenses/atompaw-4.2.0.3_1/GPLv3
Collapse this list.
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):
atompaw
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest4.2.0.3_14.2.0.3_14.1.0.6_14.2.0.3_14.2.0.3_1-4.1.0.6_1-
FreeBSD:13:quarterly4.2.0.3_14.2.0.3_1-4.2.0.3_14.2.0.3_1-4.2.0.3_14.2.0.3_1
FreeBSD:14:latest4.2.0.3_14.2.0.3_1-4.2.0.3_14.2.0.3_1---
FreeBSD:14:quarterly4.2.0.3_14.2.0.3_1-4.2.0.3_14.2.0.3_1-4.2.0.3_14.2.0.3_1
FreeBSD:15:latest4.2.0.3_14.2.0.3_1n/a4.2.0.3_1n/a-4.2.0.3_14.2.0.3_1
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran12 : lang/gcc12
  2. gmake>=4.3 : devel/gmake
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. liblapack.so : math/lapack
  2. libblas.so : math/blas
  3. libxc.so : science/libxc
This port is required by:
for Run
  1. science/abinit

Configuration Options:
===> The following configuration options are available for atompaw-4.2.0.3_1: 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:
Expand this list (1 items)
Collapse this list.
  1. http://users.wfu.edu/natalie/papers/pwpaw/
Collapse this list.

Number of commits found: 24

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
4.2.0.3_1
01 Jan 2024 11:49:51
commit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfdcommit hash: f2489ab0c721f5ec60a9f8074e904cfbe5d21dfd files touched by this commit
Thierry Thomas (thierry) search for other commits by this committer
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0

PR:		275860
4.2.0.3
26 Jul 2023 07:48:45
commit hash: e75bcbff7d6218e34b0b3b7fa1af6dba2669489dcommit hash: e75bcbff7d6218e34b0b3b7fa1af6dba2669489dcommit hash: e75bcbff7d6218e34b0b3b7fa1af6dba2669489dcommit hash: e75bcbff7d6218e34b0b3b7fa1af6dba2669489d files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
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
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit
Gerald Pfeifer (gerald) search for other commits by this committer
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
4.2.0.2_2
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
4.2.0.2_1
17 Oct 2022 18:36:23
commit hash: 2e8638fb4828c9040d74781ee52c7f0a3514e290commit hash: 2e8638fb4828c9040d74781ee52c7f0a3514e290commit hash: 2e8638fb4828c9040d74781ee52c7f0a3514e290commit hash: 2e8638fb4828c9040d74781ee52c7f0a3514e290 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
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
commit hash: c9e7cbd7cf6a94cb5863a35529058a7bbc10a55ccommit hash: c9e7cbd7cf6a94cb5863a35529058a7bbc10a55ccommit hash: c9e7cbd7cf6a94cb5863a35529058a7bbc10a55ccommit hash: c9e7cbd7cf6a94cb5863a35529058a7bbc10a55c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/atompaw: Update 4.2.0.1 -> 4.2.0.2

Reported by:	portscout
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)
4.2.0.1
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)
4.2.0.1
14 Jun 2022 03:26:14
commit hash: 74214bd8f1815f511c43d6829b53baf7b9e66813commit hash: 74214bd8f1815f511c43d6829b53baf7b9e66813commit hash: 74214bd8f1815f511c43d6829b53baf7b9e66813commit hash: 74214bd8f1815f511c43d6829b53baf7b9e66813 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/atompaw: Update 4.2.0.0 -> 4.2.0.1

Reported by:	portscout
4.2.0.0
27 Mar 2022 03:19:39
commit hash: d2036d92efc8236c43185638f7e7fea6c5ddee7ccommit hash: d2036d92efc8236c43185638f7e7fea6c5ddee7ccommit hash: d2036d92efc8236c43185638f7e7fea6c5ddee7ccommit hash: d2036d92efc8236c43185638f7e7fea6c5ddee7c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/atompaw: Update 4.1.1.0 -> 4.2.0.0

Reported by:	portscout
4.1.1.0
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
4.1.1.0
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.
4.1.1.0
29 Jan 2021 21:59:39
Revision:563254Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:522139Original commit files touched by this commit
antoine search for other commits by this committer
atompaw is actually fetchable
4.1.0.6_1
05 Jan 2020 10:26:04
Revision:522132Original commit files touched by this commit
antoine search for other commits by this committer
Mark a few ports broken (unfetchable)
4.1.0.6_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
4.1.0.6
28 Jun 2019 04:52:35
Revision:505262Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:499638Original commit files touched by this commit
gerald search for other commits by this committer
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
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
4.1.0.5
07 Dec 2018 07:50:57
Revision:486831Original commit files touched by this commit
yuri search for other commits by this committer
science/atompaw: Update 4.1.0.4 -> 4.1.0.5

Reported by:	portscout
4.1.0.4
20 Sep 2018 15:00:46
Revision:480181Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:475857Original 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
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
Revision:474213Original commit files touched by this commit
yuri search for other commits by this committer
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
Revision:472355Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/atompaw: Tool for projector augmented wave functions for
molecular simulations

Number of commits found: 24