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Port details
py-qcelemental Essentials for quantum chemistry
0.22.0 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 0.20.0Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2019-03-31 10:59:37
Last Update: 2021-09-14 09:21:06
Commit Hash: 4b58653
Also Listed In: python
License: BSD3CLAUSE
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}qcelemental>0:science/py-qcelemental@${PY_FLAVOR}
To install the port: cd /usr/ports/science/py-qcelemental/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-qcelemental
  • pkg install py38-qcelemental
NOTE: This is a Python port. Instead of py38-qcelemental listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py38-qcelemental
Package flavors (<flavor>: <package>)
  • py38: py38-qcelemental
distinfo:
Packages (timestamps in pop-ups are UTC):
py37-qcelemental
ABIlatestquarterly
FreeBSD:11:aarch64-0.12.0
FreeBSD:11:amd64--
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd64--
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-0.19.0
FreeBSD:13:aarch640.17.0-
FreeBSD:13:amd64--
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch64--
FreeBSD:14:amd64--
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc640.19.0-
 
py38-qcelemental
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd640.22.00.20.0
FreeBSD:11:armv6--
FreeBSD:11:i3860.22.00.20.0
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-0.20.0
FreeBSD:12:amd640.21.00.20.0
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i3860.22.00.20.0
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64-0.20.0
FreeBSD:13:amd640.22.00.20.0
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i3860.22.00.20.0
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:14:aarch640.21.0-
FreeBSD:14:amd640.22.0-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i3860.22.0-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py38-setuptools>0 : devel/py-setuptools@py38
  2. python3.8 : lang/python38
Runtime dependencies:
  1. py38-numpy>=1.16,1<1.20,1 : math/py-numpy@py38
  2. py38-pint>=0.10.0 : devel/py-pint@py38
  3. py38-pydantic>=1.8.2 : devel/py-pydantic@py38
  4. py38-setuptools>0 : devel/py-setuptools@py38
  5. python3.8 : lang/python38
This port is required by:
for Run
  1. science/py-qcengine

Configuration Options:
Options name:

USES:

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/q/qcelemental/
  2. https://pypi.org/packages/source/q/qcelemental/
Collapse this list.

Number of commits found: 21

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
14 Sep 2021 09:21:06
 files touched by this commit commit hash:4b586534a95f778d0dc5298ce01298ae9f5650ea  0.22.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.21.0 -> 0.22.0
05 Aug 2021 16:51:45
 files touched by this commit commit hash:6620ed6d90afea7af16450e6c4b981257bd79992  0.21.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.20.0 -> 0.21.0

Reported by:	portscout
17 May 2021 16:16:55
 files touched by this commit commit hash:19e8eb5937a398de9922150052792c1c705dff85  0.20.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.19.0 -> 0.20.0

Reported by:	portscout
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  0.19.0
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  0.19.0
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
05 Mar 2021 04:19:57
Original commit files touched by this commit Revision:567361  0.19.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.18.0 -> 0.19.0
28 Feb 2021 19:09:28
Original commit files touched by this commit Revision:566797  0.18.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.17.0 -> 0.18.0
04 Oct 2020 19:57:16
Original commit files touched by this commit Revision:551453  0.17.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.16.0 -> 0.17.0

Reported by:	portscout
13 Sep 2020 19:43:38
Original commit files touched by this commit Revision:548525  0.16.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.12.0 -> 0.16.0
11 Jul 2020 18:08:50
Original commit files touched by this commit Revision:542004  0.12.0_1
sunpoet search for other commits by this committer
Move devel/py-Pint to devel/py-pint

- Bump PORTREVISION of dependent ports for dependency change
12 Jan 2020 21:07:38
Original commit files touched by this commit Revision:522839  0.12.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.11.0 -> 0.12.0

Reported by:	portscout
29 Oct 2019 03:42:56
Original commit files touched by this commit Revision:515951  0.11.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.9.0 -> 0.11.0

Reported by:	portscout
12 Oct 2019 16:50:56
Original commit files touched by this commit Revision:514347  0.9.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.7.0 -> 0.9.0

Reported by:	portscout
31 Aug 2019 06:11:10
Original commit files touched by this commit Revision:510322  0.7.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.6.1 -> 0.7.0

Reported by:	portscout
20 Aug 2019 06:45:30
Original commit files touched by this commit Revision:509409  0.6.1
yuri search for other commits by this committer
science/py-qcelemental: Update 0.5.0 -> 0.6.1

Reported by:	portscout
31 Jul 2019 06:26:37
Original commit files touched by this commit Revision:507701  0.5.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.4.2 -> 0.5.0

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  0.4.2_1
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
19 Jun 2019 08:14:24
Original commit files touched by this commit Revision:504522  0.4.2
yuri search for other commits by this committer
science/py-qcelemental: Update 0.4.1 -> 0.4.2

Reported by:	portscout
01 Jun 2019 06:01:53
Original commit files touched by this commit Revision:503215  0.4.1
yuri search for other commits by this committer
science/py-qcelemental: Update 0.4.0 -> 0.4.1

Reported by:	portscout
14 May 2019 17:25:54
Original commit files touched by this commit Revision:501665  0.4.0
yuri search for other commits by this committer
science/py-qcelemental: Update 0.3.3 -> 0.4.0

Reported by:	portscout
31 Mar 2019 08:12:37
Original commit files touched by this commit Revision:497391  0.3.3  Sanity Test Failure
yuri search for other commits by this committer
New port: science/py-qcelemental: Essentials for quantum chemistry

Number of commits found: 21