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Port details
py-qcengine Quantum chemistry program executor and IO standardizer (QCSchema)
0.10.0 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 0.7.1Version 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 09:35:14
Last Update: 2019-08-31 07:12:38
SVN Revision: 510323
Also Listed In: python
License: BSD3CLAUSE
Description:
SVNWeb : Homepage

There is no configure plist information for this port.

Dependency lines:
  • py36-qcengine>0:science/py-qcengine
To install the port: cd /usr/ports/science/py-qcengine/ && make install clean
To add the package: pkg install py36-qcengine
PKGNAME: py36-qcengine
Package flavors (<flavor>: <package>)
  • py36: py36-qcengine
distinfo:

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py36-setuptools>0 : devel/py-setuptools@py36
  2. python3.6 : lang/python36
Runtime dependencies:
  1. py36-py-cpuinfo>0 : sysutils/py-cpuinfo@py36
  2. py36-psutil>0 : sysutils/py-psutil@py36
  3. py36-pydantic>=0.30.1 : devel/py-pydantic@py36
  4. py36-qcelemental>=0.7.0 : science/py-qcelemental@py36
  5. py36-yaml>0 : devel/py-yaml@py36
  6. py36-setuptools>0 : devel/py-setuptools@py36
  7. python3.6 : lang/python36
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://files.pythonhosted.org/packages/source/q/qcengine/
  2. https://pypi.org/packages/source/q/qcengine/
Notes from UPDATING
These upgrade notes are taken from /usr/ports/UPDATING
  • 2017-11-30
    Affects: */py*
    Author: mat@FreeBSD.org
    Reason: 
      Ports using Python via USES=python are now flavored.  All the py3-* ports
      have been removed and folded into their py-* master ports.
    
      People using Poudriere 3.2+ and binary packages do not have to do anything.
    
      For other people, to build the Python 3.6 version of, for example,
      databases/py-gdbm, you need to run:
    
        # make FLAVOR=py36 install
    
    

Number of commits found: 5

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
31 Aug 2019 06:12:38
Original commit files touched by this commit  0.10.0
Revision:510323
yuri search for other commits by this committer
science/py-qcengine: Update 0.8.2 -> 0.10.0

Reported by:	portscout
02 Aug 2019 20:45:01
Original commit files touched by this commit  0.8.2
Revision:507913
yuri search for other commits by this committer
science/py-qcengine: Update 0.7.1 -> 0.8.2

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit  0.7.1_1
Revision:507372
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 08:15:53
Original commit files touched by this commit  0.7.1
Revision:504523
yuri search for other commits by this committer
science/py-qcengine: Update 0.6.4 -> 0.7.1

Reported by:	portscout
31 Mar 2019 08:24:32
Original commit files touched by this commit  0.6.4
Revision:497392  Sanity Test Failure
yuri search for other commits by this committer
New port: science/py-qcengine: Quantum chemistry program executor and IO
standardizer (QCSchema)

Number of commits found: 5

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