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Port details
py-ase Atomic simulation environment
3.23.0 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 3.22.1_1Version 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 18:18:07
Last Update: 2024-07-13 05:17:49
Commit Hash: e34503a
Also Listed In: python
License: LGPL21
WWW:
https://wiki.fysik.dtu.dk/ase/
Description:
ASE is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.
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
There is no configure plist information for this port.
Dependency lines:
  • py311-ase>0:science/py-ase
To install the port:
cd /usr/ports/science/py-ase/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-ase
  • pkg install py311-ase
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: py311-ase
Package flavors (<flavor>: <package>)
  • py311: py311-ase
distinfo:
TIMESTAMP = 1720836089 SHA256 (ase-3.23.0.tar.gz) = 91a2aa31d89bd90b0efdfe4a7e84264f32828b2abfc9f38e65e041ad76fec8ae SIZE (ase-3.23.0.tar.gz) = 2336462

Packages (timestamps in pop-ups are UTC):
py311-ase
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-3.23.0--3.23.0---
FreeBSD:13:quarterly-3.22.1_1------
FreeBSD:14:latest-3.23.0--3.23.0---
FreeBSD:14:quarterly-3.22.1_1------
FreeBSD:15:latest-3.23.0n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py311-setuptools>=63.1.0 : devel/py-setuptools@py311
  2. python3.11 : lang/python311
Test dependencies:
  1. py311-pytest-mock>0 : devel/py-pytest-mock@py311
  2. py311-pytest-xdist>=1.30.0 : devel/py-pytest-xdist@py311
  3. py311-asap3>0 : science/py-asap3@py311
  4. py311-flask>0 : www/py-flask@py311
  5. py311-netCDF4>0 : science/py-netCDF4@py311
  6. py311-spglib>0 : science/py-spglib@py311
  7. py311-pytest>=7,1 : devel/py-pytest@py311
  8. python3.11 : lang/python311
Runtime dependencies:
  1. py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
  2. py311-matplotlib>=3.1.0 : math/py-matplotlib@py311
  3. py311-scipy>=1.1.0 : science/py-scipy@py311
  4. nwchem : science/nwchem
  5. py311-setuptools>=63.1.0 : devel/py-setuptools@py311
  6. python3.11 : lang/python311
This port is required by:
for Build
  1. science/votca
for Run
  1. science/py-asap3
  2. science/py-gpaw
  3. science/py-hiphive
  4. science/votca

Configuration Options:
No options to configure
Options name:
science_py-ase
USES:
python
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (2 items)
Collapse this list.
  1. https://files.pythonhosted.org/packages/source/a/ase/
  2. https://pypi.org/packages/source/a/ase/
Collapse this list.

Number of commits found: 30

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
3.23.0
13 Jul 2024 05:17:49
commit hash: e34503a4e5bf4b2874542b2e5f12f6c5a4627210commit hash: e34503a4e5bf4b2874542b2e5f12f6c5a4627210commit hash: e34503a4e5bf4b2874542b2e5f12f6c5a4627210commit hash: e34503a4e5bf4b2874542b2e5f12f6c5a4627210 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-ase: update 3.22.1 → 3.23.0

Reported by:	portscout
3.22.1_1
01 Dec 2023 06:39:02
commit hash: 8efcc1c369a0048035fc0022072f9003c37b65e8commit hash: 8efcc1c369a0048035fc0022072f9003c37b65e8commit hash: 8efcc1c369a0048035fc0022072f9003c37b65e8commit hash: 8efcc1c369a0048035fc0022072f9003c37b65e8 files touched by this commit
Po-Chuan Hsieh (sunpoet) search for other commits by this committer
*: Fix build after 3232af18957315da73e0e4105cac869d8cb3c6b1 (www/py-flask
PORTNAME change)

Approved by:	portmgr (blanket)
3.22.1_1
27 Jun 2023 19:34:34
commit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacbcommit hash: 3d9a815d9c5acbb71f4bb07738bdeab4879feacb files touched by this commit
Rene Ladan (rene) search for other commits by this committer
all: remove explicit versions in USES=python for "3.x+"

The logic in USES=python will automatically convert this to 3.8+ by
itself.

Adjust two ports that only had Python 3.7 mentioned but build fine
on Python 3.8 too.

finance/quickfix: mark BROKEN with PYTHON

libtool: compile:  c++ -DHAVE_CONFIG_H -I. -I../.. -I -I. -I.. -I../.. -I../C++
-DLIBICONV_PLUG -DPYTHON_MAJOR_VERSION=3 -Wno-unused-variable
-Wno-maybe-uninitialized -O2 -pipe -DLIBICONV_PLUG -fstack-protector-strong
-fno-strict-aliasing -DLIBICONV_PLUG -Wall -ansi
-Wno-unused-command-line-argument -Wpointer-arith -Wwrite-strings
-Wno-overloaded-virtual -Wno-deprecated-declarations -Wno-deprecated -std=c++0x
-MT _quickfix_la-QuickfixPython.lo -MD -MP -MF
.deps/_quickfix_la-QuickfixPython.Tpo -c QuickfixPython.cpp  -fPIC -DPIC -o
.libs/_quickfix_la-QuickfixPython.o
warning: unknown warning option '-Wno-maybe-uninitialized'; did you mean
'-Wno-uninitialized'? [-Wunknown-warning-option]
QuickfixPython.cpp:175:11: fatal error: 'Python.h' file not found
          ^~~~~~~~~~
1 warning and 1 error generated.

Reviewed by:	portmgr, vishwin, yuri
Differential Revision:	<https://reviews.freebsd.org/D40568>
3.22.1_1
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
3.22.1
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
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)
3.22.1
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)
3.22.1
19 Jun 2022 10:01:29
commit hash: 2c60c1ad511796f490e60bccefbca0fc845f4317commit hash: 2c60c1ad511796f490e60bccefbca0fc845f4317commit hash: 2c60c1ad511796f490e60bccefbca0fc845f4317commit hash: 2c60c1ad511796f490e60bccefbca0fc845f4317 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-ase: Add test target
3.22.1
19 Jun 2022 07:43:19
commit hash: 039a641f7f803599516afef26a79bc2f9317c762commit hash: 039a641f7f803599516afef26a79bc2f9317c762commit hash: 039a641f7f803599516afef26a79bc2f9317c762commit hash: 039a641f7f803599516afef26a79bc2f9317c762 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-ase: Add comment
3.22.1
04 Jan 2022 07:11:21
commit hash: f5d9136f2f80dd86efc1ea896ecb62523e3fc48ccommit hash: f5d9136f2f80dd86efc1ea896ecb62523e3fc48ccommit hash: f5d9136f2f80dd86efc1ea896ecb62523e3fc48ccommit hash: f5d9136f2f80dd86efc1ea896ecb62523e3fc48c files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-ase: Update 3.22.0 -> 3.22.1

Reported by:	portscout
3.22.0
28 Jun 2021 08:08:47
commit hash: 34c10cbb4bf9c56891de3386abcec520c74b4952commit hash: 34c10cbb4bf9c56891de3386abcec520c74b4952commit hash: 34c10cbb4bf9c56891de3386abcec520c74b4952commit hash: 34c10cbb4bf9c56891de3386abcec520c74b4952 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-ase: Update 3.21.1 -> 3.22.0

Reported by:	portscout
3.21.1
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
3.21.1
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
3.21.1
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.
3.21.1
29 Jan 2021 16:38:20
Revision:563218Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.21.0 -> 3.21.1

Reported by:	portscout
3.21.0
18 Jan 2021 23:53:25
Revision:561987Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.20.1 -> 3.21.0

Reported by:	portscout
3.20.1
05 Sep 2020 06:05:19
Revision:547589Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.20.0 -> 3.20.1
3.20.0
10 Aug 2020 23:52:39
Revision:544649Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.19.2 -> 3.20.0

Reported by:	portscout
3.19.2
23 Jul 2020 18:07:54
Revision:542944Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.19.1 -> 3.19.2

Reported by:	portscout
3.19.1
04 Apr 2020 07:30:05
Revision:530620Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.19.0 -> 3.19.1

Reported by:	portscout
3.19.0
27 Dec 2019 06:46:45
Revision:520969Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.18.1 -> 3.19.0

Reported by:	portscout
3.18.1
21 Sep 2019 14:18:58
Revision:512496Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.18.0 -> 3.18.1

Reported by:	portscout
3.18.0_1
28 Jul 2019 18:17:27
Revision:507521Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: It is python 3.5+ now.

Reported by:	fallout
3.18.0_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
3.18.0
20 Jul 2019 23:20:20
Revision:507028Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.17.0 -> 3.18.0
3.17.0_2
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
3.17.0_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
3.17.0
15 Nov 2018 01:16:20
Revision:484983Original commit files touched by this commit
yuri search for other commits by this committer
science/py-ase: Update 3.16.2 -> 3.17.0

Also update WWW.

Reported by:	portscout
3.16.2
14 Sep 2018 12:19:48
Revision:479772Original commit files touched by this commit
mat search for other commits by this committer
Never use ${FLAVOR} directly in dependencies, FLAVOR is not transitive.
3.16.2
01 Sep 2018 18:17:54
Revision:478712Original commit files touched by this commit
yuri search for other commits by this committer
New port: science/py-ase: Atomic simulation environment

Number of commits found: 30