Port details |
- dalton Powerful molecular electronic structure program for quantum chemistry
- 2020.0_6 science
=2 2020.0_4Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
 - Port Added: 2018-09-02 07:49:17
- Last Update: 2025-01-28 16:42:55
- Commit Hash: e54e2c6
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: LGPL21
- WWW:
- https://daltonprogram.org/
- Description:
- The Dalton program is designed to allow convenient, automated determination of a
large number of molecular properties based on an HF, DFT, MP2, coupled cluster,
or MCSCF reference wave function.
¦ ¦ ¦ ¦ 
- 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/dalton/ && make install clean
- To add the package, run one of these commands:
- pkg install science/dalton
- pkg install dalton
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: dalton
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1617891959
SHA256 (cstein-qfitlib-1acdc9863fdeae2cdbc7f5a599413257a095b8ad_GH0.tar.gz) = cba2b900f9916b8eadf7678f5702990435119073bae2bca98ff7cf4b05f9bcfd
SIZE (cstein-qfitlib-1acdc9863fdeae2cdbc7f5a599413257a095b8ad_GH0.tar.gz) = 50434
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
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- as : devel/binutils
- Runtime dependencies:
-
- bash : shells/bash
- gfortran13 : lang/gcc13
- Library dependencies:
-
- liblapack.so : math/lapack
- libopenblas.so : math/openblas
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- science_dalton
- USES:
- cmake:noninja fortran python:build shebangfix
- 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 |
2020.0_6 28 Jan 2025 16:42:55
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Thierry Thomas (thierry)  |
*/*: bump PORTREVISION after OpenBLAS upgrade
Remark: this souldn’t be necessary, because the version of the library is the
same, but due to many changes between these releases, it is safer this way.
PR: 284314 |
2020.0_5 24 Jan 2025 12:18:28
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Thierry Thomas (thierry)  |
*/*: bump PORTREVISION to chase blas/lapack, Suitesparse and BLIS |
2020.0_4 21 Jun 2024 17:49:24
    |
Thierry Thomas (thierry)  |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
2020.0_3 01 Jan 2024 11:49:51
    |
Thierry Thomas (thierry)  |
*/*: chase the upgrade of BLAS / LAPACK to 3.12.0
PR: 275860 |
2020.0_2 12 Dec 2023 19:03:50
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Thierry Thomas (thierry)  |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
2020.0_1 12 Jul 2023 18:56:04
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Felix Palmen (zirias)  |
bsd.sites.mk: Update all ports using USE_GITLAB
Replace GL_COMMIT by GL_TAGNAME in all ports. The new GL_TAGNAME is
backwards-compatible (accepting any commit hash as before), but also
understands an actual tag name. Moving to tag names where appropriate is
left to individual ports' maintainers.
Approved by: portmgr (tcberner, mentor)
Differential Revision: https://reviews.freebsd.org/D37077 |
2020.0_1 23 Apr 2023 09:09:58
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Gerald Pfeifer (gerald)  |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
2020.0 11 Dec 2022 07:32:12
    |
Yuri Victorovich (yuri)  |
science/dalton: Broken on armv7
Reported by: fallout |
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) |
2020.0 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 ) |
2020.0 09 Apr 2021 18:44:23
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Matthias Fechner (mfechner)  |
Regenerate all distfiles using gitlab as source.
This regeneration is required as the new gitlab version changed
the address and the directory the source files can be downloaded.
This commit also applies some small fixes to make sure all ports using
gitlab are buildable.
Reviewed by: mat
Approved by: portmgr
Differential Revision: https://reviews.freebsd.org/D29628 |
2020.0 07 Apr 2021 08:09:01
    |
Mathieu Arnold (mat)  |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
2020.0 06 Apr 2021 14:31:07
    |
Mathieu Arnold (mat)  |
Remove # $FreeBSD$ from Makefiles. |
2020.0 16 Nov 2020 02:14:25
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yuri  |
science/dalton: Update 2018.2 -> 2020.0 |
2018.2_2 06 May 2020 16:11:15
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yuri  |
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas. |
2018.2_1 30 Jan 2020 14:17:44
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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 |
2018.2 04 Aug 2019 04:22:31
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yuri  |
science/dalton: Update 2018.0 -> 2018.2
Reported by: repology |
2018.0_2 26 Jul 2019 20:46:57
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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 |
2018.0_1 03 May 2019 13:58:34
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mat  |
Fix the a ports that were broken but did not know it.
Differential Revision: https://reviews.freebsd.org/D20140 |
2018.0_1 22 Apr 2019 13:16:34
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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 |
2018.0 25 Dec 2018 20:25:40
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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 |
2018.0 17 Dec 2018 04:30:02
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yuri  |
science/dalton: Update 2016.2 -> 2018.0 |
2016.2_2 12 Dec 2018 01:35:36
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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 |
2016.2_1 04 Nov 2018 18:15:36
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yuri  |
science/dalton: Fix build with GCC8
Backport the upstream patch that fixed the issue.
PR: 232959
Reported by: gerald |
2016.2 02 Sep 2018 07:53:31
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yuri  |
science/dalton: Fix license. |
2016.2 02 Sep 2018 07:49:03
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yuri  |
New port: science/dalton: Powerful molecular electronic structure program for
quantum chemistry |