Port details |
- py-cclib Parsers And Algorithms For Computational Chemistry
- 1.7.1_1 devel =2 1.7.1_1Version of this port present on the latest quarterly branch.
- Maintainer: robak@FreeBSD.org
- Port Added: 2008-07-18 12:36:11
- Last Update: 2023-06-27 19:34:34
- Commit Hash: 3d9a815
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- Also Listed In: python
- License: BSD3CLAUSE
- WWW:
- https://cclib.github.io
- Description:
- Py-cclib is an open source library, written in Python, for parsing and
interpreting the results of computational chemistry packages. The current
version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK,
Gaussian, Jaguar, Molpro, ORCA and PC GAMESS.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}cclib>0:devel/py-cclib@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/devel/py-cclib/ && make install clean
- To add the package, run one of these commands:
- pkg install devel/py-cclib
- pkg install py39-cclib
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 py39-cclib listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-cclib
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1637223133
SHA256 (cclib-cclib-v1.7.1_GH0.tar.gz) = eaf351db14aeba60708b42f7cfa7d2164b93bf6de259d8e224a469065e139564
SIZE (cclib-cclib-v1.7.1_GH0.tar.gz) = 38768506
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:
-
- py39-numpy>=1.16,1<1.25,1 : math/py-numpy@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.25,1 : math/py-numpy@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- devel_py-cclib
- 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 |
1.7.1_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> |
1.7.1_1 23 Apr 2023 09:09:58 |
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
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) |
1.7.1 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 ) |
1.7.1 20 Jul 2022 14:21:35 |
Tobias C. Berner (tcberner) |
devel: remove 'Created by' lines
A big Thank You to the original contributors of these ports:
* "Waitman Gobble" <uzimac@da3m0n8t3r.com>
* <jkoshy@FreeBSD.org>
* Aaron Dalton <aaron@FreeBSD.org>
* Aaron Dalton <aaron@daltons.ca>
* Aaron H. K. Diep <ahkdiep@gmail.com>
* Aaron Hurt <ahurt@anbcs.com>
* Abel Chow <abel_chow@yahoo.com>
* Adam McLaurin
* Adam Saponara <as@php.net>
* Adam Weinberger <adamw@FreeBSD.org>
* Ade Lovett <ade@FreeBSD.org> (Only the first 15 lines of the commit message are shown above ) |
1.7.1 18 Nov 2021 08:21:34 |
Bartek Rutkowski (robak) |
devel/py-cclib: Update 1.6.3 -> 1.7.1
Submitted by: Bartek Rutkowski <robak@FreeBSD.org>
Sponsored by: Pixeware LTD <contracting@pixeware.com> |
1.6.3 06 Apr 2021 14:31:07 |
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
1.6.3 28 Dec 2020 23:02:15 |
antoine |
Drop python 2.7 support from a few ports
With hat: portmgr |
1.6.3 23 Jun 2020 21:21:11 |
robak |
devel/py-cclib: update 1.6.1 -> 1.6.3
- Correct LICENSE to BSD3CLAUSE
Submitted by: Bartek Rutkowski <robak@FreeBSD.org>
Sponsored by: Pixeware LTD <contracting@pixeware.com> |
1.6.1_1 27 Feb 2020 22:41:12 |
robak |
Revert accidental changes from r527308 |
1.6.2 27 Feb 2020 22:20:31 |
robak |
www/wt3: Update 3.5.0 -> 3.5.1
PR: 244108
Submitted by: Mohammad S. Babaei <info@babaei.net> (maintainer)
Reviewed by: robak |
1.6.1_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 |
1.6.1 15 Feb 2019 22:43:57 |
robak |
devel/py-cclib: Update 1.6 -> 1.6.1
Submitted by: Bartlomiej Rutkowski <contact@robakdesign.com>
Sponsored by: Pixeware LTD <contracting@pixeware.com> |
1.6 07 Feb 2019 10:55:09 |
robak |
devel/py-cclib: Update 1.5.3 -> 1.6
Submitted by: Bartek Rutkowski <contact@robakdesign.com>
Sponsored by: Pixeware LTD <contracting@pixeware.com> |
1.5.3_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 |
1.5.3 16 Jun 2018 15:46:37 |
robak |
devel/py-cclib: update 1.5.1 -> 1.5.3
- Pet portlint |
1.5.1_1 10 Mar 2018 17:46:06 |
gerald |
Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079). |
1.5.1 30 Nov 2017 15:50:34 |
mat |
Convert Python ports to FLAVORS.
Ports using USE_PYTHON=distutils are now flavored. They will
automatically get flavors (py27, py34, py35, py36) depending on what
versions they support.
There is also a USE_PYTHON=flavors for ports that do not use distutils
but need FLAVORS to be set. A USE_PYTHON=noflavors can be set if
using distutils but flavors are not wanted.
A new USE_PYTHON=optsuffix that will add PYTHON_PKGNAMESUFFIX has been
added to cope with Python ports that did not have the Python
PKGNAMEPREFIX but are flavored.
USES=python now also exports a PY_FLAVOR variable that contains the (Only the first 15 lines of the commit message are shown above ) |
1.5.1 26 May 2017 11:24:39 |
robak |
devel/py-cclib: update 1.4.1 -> 1.5.1 |
1.4.1 04 Aug 2016 13:53:56 |
robak |
devel/py-cclib: update 1.3.2 -> 1.4.1 |
1.3.2 19 Mar 2016 18:17:50 |
mat |
Montly GH_* cleanup.
Sponsored by: Absolight |
1.3.2 16 Jan 2016 16:19:30 |
robak |
devel/py-cclib: update 1.2 -> 1.3.2 |
1.2 06 May 2015 15:16:54 |
mat |
Update ports in the [bcd]* categories to not use GH_COMMIT.
With minor cleanups to make things simpler.
With hat: portmgr
Sponsored by: Absolight |
1.2 19 Mar 2015 16:44:59 |
bdrewery |
Update USE_GITHUB so it does not require GH_COMMIT.
Using this new scheme allows only setting the _tag_ or _commit hash_ in
GH_TAGNAME and not having to know the hash for a tag. This scheme will
download a tarball that has a different checksum than before due to a changed
directory name for extraction.
The following MASTER_SITES are provided to retain the old checksum and
directory structure (that require GH_COMMIT):
GH -> GHL
GITHUB -> GITHUB_LEGACY
Differential Revision: https://reviews.freebsd.org/D748
Submitted by: amdmi3
Reviewed by: mat, swills, antoine, bdrewery
With hat: portmgr |
1.2 18 Sep 2014 17:38:07 |
robak |
devel/py-cclib: update 1.1 -> 1.2
- Changed upstream location to GitHub
- Corrected LICENSE
Approved by: mentors (implicit) |
1.1_3 10 Sep 2014 20:50:37 |
gerald |
Update the default version of GCC in the Ports Collection from GCC 4.7.4
to GCC 4.8.3.
Part II, Bump PORTREVISIONs.
PR: 192025
Tested by: antoine (-exp runs)
Approved by: portmgr (implicit) |
1.1_2 24 Jun 2014 18:42:15 |
robak |
Update maintainer address to robak@FreeBSD.org.
Approved by: swills (mentor) |
1.1_2 12 Apr 2014 11:54:46 |
wen |
- Stage support [1]
- Add LICENSE [1]
- Pass maintainership to submitter
PR: 188492 [1]
Submitted by: ports@robakdesign.com [1] |
1.1_2 10 Mar 2014 20:55:22 |
gerald |
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3. This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.
Part II, Bump PORTREVISIONs.
PR: 182136
Supported by: Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by: bdrewery (two -exp runs) |
1.1_1 26 Oct 2013 00:52:36 |
gerald |
Update to libmpc version 1.0.1 which brings the following fixes:
- Switched to automake 1.11.6, see CVE-2012-3386.
- #14669: Fixed extraction of CC from gmp.h.
- Fixed case of intermediate zero real or imaginary part in mpc_fma,
found by hydra with GMP_CHECK_RANDOMIZE=1346362345.
This is on top of the following changes from version 1.0
- Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
invariant sections) for the documentation.
- 100% of all lines are covered by tests
- Renamed functions
. mpc_mul_2exp to mpc_mul_2ui
. mpc_div_2exp to mpc_div_2ui (Only the first 15 lines of the commit message are shown above ) |
1.1 20 Sep 2013 17:13:47 |
bapt |
Add NO_STAGE all over the place in preparation for the staging support (cat:
devel part 3) |
1.1 16 Feb 2013 12:48:32 |
wen |
- Update to 1.1
- Trim Makefile headers |
1.0.1 16 Mar 2011 01:01:21 |
wen |
- Update to 1.0.1 |
1.0 18 Feb 2011 06:22:23 |
wen |
- Update to 1.0
- Update my email to FreeBSD |
0.91 22 Aug 2009 00:18:43 |
amdmi3 |
- Switch SourceForge ports to the new File Release System: categories starting
with D |
0.91 21 Mar 2009 09:43:39 |
miwi |
- Update to 0.91
PR: 132840
Submitted by: Wen Heping <wenheping@gmail.com> (maintainer) |
0.9 18 Jul 2008 12:35:46 |
miwi |
Py-cclib is an open source library, written in Python, for parsing and
interpreting the results of computational chemistry packages. The current
version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK,
Gaussian, Jaguar, Molpro, ORCA and PC GAMESS.
WWW: http://cclib.sourceforge.net/
PR: ports/125490
Submitted by: Wen Heping <wenheping at gmail.com> |