| Port details |
- gamess-us General Atomic and Molecular Electronic Structure System (US)
- 20181013_8 science
 =0      20181013_8Version of this port present on the latest quarterly branch.  IGNORE: license restrictions require registration and manual fetching of the distribution source. Please visit https://www.msg.chem.iastate.edu/gamess/License_Agreement.html with a browser. You will be required to agree to the license terms, enter your e-mail address, check any box under "Source Code Distributions", and submit your download request. Once you download the file gamess-current.tar.gz, please put it into /usr/ports/distfiles/gamess-current.tar.gz and run 'make' again
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-14 11:42:30
- Last Update: 2023-04-23 09:09:58
- Commit Hash: 8d3e020
- License: GAMESS_LICENSE
- WWW:
- https://www.msg.chem.iastate.edu/gamess/
- Description:
- GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS
can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF.
Correlation corrections to these SCF wavefunctions include Configuration
Interaction, second order perturbation Theory, and Coupled-Cluster approaches,
as well as the Density Functional Theory approximation. Excited states can be
computed by CI, EOM, or TD-DFT procedures. Nuclear gradients are available, for
automatic geometry optimization, transition state searches, or reaction path
following. Computation of the energy hessian permits prediction of vibrational
frequencies, with IR or Raman intensities. Solvent effects may be modeled by the
discrete Effective Fragment potentials, or continuum models such as the
Polarizable Continuum Model. Numerous relativistic computations are available,
including infinite order two component scalar relativity corrections, with
various spin-orbit coupling options. The Fragment Molecular Orbital method
permits use of many of these sophisticated treatments to be used on very large
systems, by dividing the computation into small fragments. Nuclear wavefunctions
can also be computed, in VSCF, or with explicit treatment of nuclear orbitals by
the NEO code.
This is the 'US' fork of GAMES. 'UK' fork also exists.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- gamess-us>0:science/gamess-us
- To install the port:
- cd /usr/ports/science/gamess-us/ && make install clean
- We doubt a package is available for this port because we see it marked as as:
- Ignore
- Package not available
Packages are normally not provided for ports that are marked as above.- To add the package, run one of these commands:
- pkg install science/gamess-us
- pkg install gamess-us
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: there is no package for this port: _LICENSE_RESTRICTED = delete-package delete-distfiles
- Flavors: there is no flavor information for this port.
- ONLY_FOR_ARCHS: amd64 i386
- distinfo:
- TIMESTAMP = 1539309751
SHA256 (gamess-current.tar.gz) = fb177614395650dc4b4baff643962cc36435ad81516aa58b74204bfe47f90605
SIZE (gamess-current.tar.gz) = 95358083
No package information for this port in our database- Sometimes this happens. Not all ports have packages.
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- Library dependencies:
-
- libopenblas.so : math/openblas
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for gamess-us-20181013_8:
====> Math library: you can only select none or one of them
ATLAS=off: ATLAS blas implementation
OPENBLAS=on: OpenBLAS blas implementation
===> Use 'make config' to modify these settings
- Options name:
- science_gamess-us
- USES:
- fortran gmake
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
- There is no master site for this port.
|
Number of commits found: 14
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
20181013_8
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) |
20181013_7
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  ) |
20181013_7
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
20181013_7
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
20181013_7
06 May 2020 16:11:15
 |
yuri |
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas. |
20181013_6
30 Jan 2020 14:17:44
|
swills |
Fix math/openblas and bump dependent ports
* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]
This is correcting issues from r523749 [1][2][4] and r515970 [3]
PR: 231371
Reported by: build cluster [1]
Reported by: Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by: many [5]
Reviewed by: mat, bapt
Approved by: implicit, since this is a build fix |
20181013_5
14 Aug 2019 12:16:13
|
mat |
Convert to UCL & cleanup pkg-message (categories s) |
20181013_5
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 |
20181013_4
22 Apr 2019 13:16:34
|
gerald |
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.
Suggested by: tijl |
20181013_3
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 |
20181013_2
15 Oct 2018 06:12:04
|
yuri |
science/gamess-us: Cosmetic change: internal version number change to 00 for
convenence because it is a default |
20181013_1
14 Oct 2018 18:30:17
|
yuri |
science/gamess-us: Add math library selection options |
20181013
14 Oct 2018 03:18:45
|
yuri |
Re-add port: science/gamess-us: General Atomic and Molecular Electronic
Structure System (US)
It used to be in science/gamess and was removed in 2014. |
Number of commits found: 14
|
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