Port details |
- py-ase Atomic simulation environment
- 3.23.0 science =2 3.23.0Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-01 18:18:07
- Last Update: 2024-07-13 05:17:49
- Commit Hash: e34503a
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- 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.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}ase>0:science/py-ase@${PY_FLAVOR}
- 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. NOTE: This is a Python port. Instead of py311-ase listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py311-ase
- Package flavors (<flavor>: <package>)
- 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):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- py311-setuptools>=63.1.0 : devel/py-setuptools@py311
- python3.11 : lang/python311
- Test dependencies:
-
- py311-pytest-mock>0 : devel/py-pytest-mock@py311
- py311-pytest-xdist>=1.30.0 : devel/py-pytest-xdist@py311
- py311-asap3>0 : science/py-asap3@py311
- py311-flask>0 : www/py-flask@py311
- py311-netCDF4>0 : science/py-netCDF4@py311
- py311-spglib>0 : science/py-spglib@py311
- py311-pytest>=7,1 : devel/py-pytest@py311
- python3.11 : lang/python311
- Runtime dependencies:
-
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- py311-matplotlib>=3.1.0 : math/py-matplotlib@py311
- py311-scipy>=1.1.0 : science/py-scipy@py311
- nwchem : science/nwchem
- py311-setuptools>=63.1.0 : devel/py-setuptools@py311
- python3.11 : lang/python311
- This port is required by:
- for Build
-
- science/votca
- for Run
-
- science/py-abipy
- science/py-asap3
- science/py-gpaw
- science/py-hiphive
- 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:
|
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
3.23.0 13 Jul 2024 05:17:49 |
Yuri Victorovich (yuri) |
science/py-ase: update 3.22.1 → 3.23.0
Reported by: portscout |
3.22.1_1 01 Dec 2023 06:39:02 |
Po-Chuan Hsieh (sunpoet) |
*: Fix build after 3232af18957315da73e0e4105cac869d8cb3c6b1 (www/py-flask
PORTNAME change)
Approved by: portmgr (blanket) |
3.22.1_1 27 Jun 2023 19:34:34 |
Rene Ladan (rene) |
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 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
3.22.1 11 Jan 2023 15:58:34 |
Dmitry Marakasov (amdmi3) |
*/*: rename CHEESESHOP to PYPI in MASTER_SITES
PR: 267994
Differential revision: D37518
Approved by: bapt |
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) |
3.22.1 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 ) |
3.22.1 19 Jun 2022 10:01:29 |
Yuri Victorovich (yuri) |
science/py-ase: Add test target |
3.22.1 19 Jun 2022 07:43:19 |
Yuri Victorovich (yuri) |
science/py-ase: Add comment |
3.22.1 04 Jan 2022 07:11:21 |
Yuri Victorovich (yuri) |
science/py-ase: Update 3.22.0 -> 3.22.1
Reported by: portscout |
3.22.0 28 Jun 2021 08:08:47 |
Yuri Victorovich (yuri) |
science/py-ase: Update 3.21.1 -> 3.22.0
Reported by: portscout |
3.21.1 10 May 2021 20:13:20 |
Thierry Thomas (thierry) |
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 |
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
3.21.1 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
3.21.1 29 Jan 2021 16:38:20 |
yuri |
science/py-ase: Update 3.21.0 -> 3.21.1
Reported by: portscout |
3.21.0 18 Jan 2021 23:53:25 |
yuri |
science/py-ase: Update 3.20.1 -> 3.21.0
Reported by: portscout |
3.20.1 05 Sep 2020 06:05:19 |
yuri |
science/py-ase: Update 3.20.0 -> 3.20.1 |
3.20.0 10 Aug 2020 23:52:39 |
yuri |
science/py-ase: Update 3.19.2 -> 3.20.0
Reported by: portscout |
3.19.2 23 Jul 2020 18:07:54 |
yuri |
science/py-ase: Update 3.19.1 -> 3.19.2
Reported by: portscout |
3.19.1 04 Apr 2020 07:30:05 |
yuri |
science/py-ase: Update 3.19.0 -> 3.19.1
Reported by: portscout |
3.19.0 27 Dec 2019 06:46:45 |
yuri |
science/py-ase: Update 3.18.1 -> 3.19.0
Reported by: portscout |
3.18.1 21 Sep 2019 14:18:58 |
yuri |
science/py-ase: Update 3.18.0 -> 3.18.1
Reported by: portscout |
3.18.0_1 28 Jul 2019 18:17:27 |
yuri |
science/py-ase: It is python 3.5+ now.
Reported by: fallout |
3.18.0_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 |
3.18.0 20 Jul 2019 23:20:20 |
yuri |
science/py-ase: Update 3.17.0 -> 3.18.0 |
3.17.0_2 10 Apr 2019 06:18:32 |
antoine |
Bump a few PORTREVISIONs after r498529
With hat: portmgr |
3.17.0_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 |
3.17.0 15 Nov 2018 01:16:20 |
yuri |
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 |
mat |
Never use ${FLAVOR} directly in dependencies, FLAVOR is not transitive. |
3.16.2 01 Sep 2018 18:17:54 |
yuri |
New port: science/py-ase: Atomic simulation environment |