| Port details |
- simint Obara-Saika (OS) method of calculating electron repulsion integrals
- 0.8 science
 =2      0.8Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-08 07:53:03
- Last Update: 2022-09-07 21:58:51
- Commit Hash: fb16dfe
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: BSD3CLAUSE
- WWW:
- https://www.bennyp.org/research/simint/
- Description:
- Simint is a vectorized implementation of the Obara-Saika (OS) method of
calculating electron repulsion integrals. Speedup is gained by vectorizing
the primitive loop of the OS algorithm, with additional vectorization and
optimizations left to the compiler.
Simint is intended to be used for quantum chemistry computations.
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- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/simint/ && make install clean
- To add the package, run one of these commands:
- pkg install science/simint
- pkg install simint
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: simint
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1539225341
SHA256 (simint-v0.8.tar.bz2) = 43cfde26a86d9ce5b05fad7ee35fc2d8b35c1bf3ca1b2e1fcb3396b57e6ac199
SIZE (simint-v0.8.tar.bz2) = 2779894
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:
-
- cmake : devel/cmake-core
- ninja : devel/ninja
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for simint-0.8:
====> Vector SIMD optimization: you have to select exactly one of them
SCALAR=off: Unvectorized: no SIMD acceleration
SSE3=on: Intel CPUs with SSSE3 support
AVX=off: Intel CPUs with AVX support (Sandy/Ivy Bridge, Haswell)
AVXFMA=off: Intel CPUs with AVX and FMA support (Haswell)
MICAVX512=off: Intel KNL (experimental)
===> Use 'make config' to modify these settings
- Options name:
- science_simint
- USES:
- cmake tar:bz2
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 7
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
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) |
0.8
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  ) |
0.8
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
0.8
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
0.8
25 Dec 2018 20:25:40
 |
tcberner |
Change cmake default behaviour to outsource.
Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".
I tried to only set insource where explictely needed.
PR: 232038
Exp-run by: antoine |
0.8
11 Oct 2018 03:21:02
|
yuri |
science/simint: Update 0.7 -> 0.8
Reported by: portscout |
0.7
08 Oct 2018 07:52:50
|
yuri |
New port: science/simint: Obara-Saika (OS) method of calculating electron
repulsion integrals |
Number of commits found: 7
|
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