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Port details
dalton Powerful molecular electronic structure program for quantum chemistry
2020.0 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 View this port on Repology. pkg-fallout 2020.0Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-02 07:49:17
Last Update: 2021-04-09 18:44:23
Commit Hash: 911f042
License: LGPL21
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (351 items)
Collapse this list.
  1. /usr/local/share/licenses/dalton-2020.0/catalog.mk
  2. /usr/local/share/licenses/dalton-2020.0/LICENSE
  3. /usr/local/share/licenses/dalton-2020.0/LGPL21
  4. bin/dalton
  5. bin/dalton.x
  6. share/dalton/GIT_HASH
  7. share/dalton/VERSION
  8. share/dalton/basis/3-21++G
  9. share/dalton/basis/3-21++G*
  10. share/dalton/basis/3-21G
  11. share/dalton/basis/3-21G*
  12. share/dalton/basis/4-31G
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  15. share/dalton/basis/6-31++G**
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  19. share/dalton/basis/6-311++G(3df,3pd)
  20. share/dalton/basis/6-311++G**
  21. share/dalton/basis/6-311+G*
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  30. share/dalton/basis/ANO-DK3
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  32. share/dalton/basis/Ahlrichs-Coulomb-Fit
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  36. share/dalton/basis/Ahlrichs-pVDZ
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  38. share/dalton/basis/DZ(Dunning)
  39. share/dalton/basis/DZ+Rydberg(Dunning)
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  41. share/dalton/basis/DZP+Diffuse(Dunning)
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  55. share/dalton/basis/McLean-Chandler-VTZ
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  60. share/dalton/basis/STO-3G
  61. share/dalton/basis/STO-6G
  62. share/dalton/basis/SV(Dunning-Hay)
  63. share/dalton/basis/SV+DoubleRydberg(Dunning-Hay)
  64. share/dalton/basis/SV+Rydberg(Dunning-Hay)
  65. share/dalton/basis/SVP(Dunning-Hay)
  66. share/dalton/basis/SVP+Diffuse(Dunning-Hay)
  67. share/dalton/basis/Sadlej-pVTZ
  68. share/dalton/basis/Sadlej-pVTZ-J
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  70. share/dalton/basis/Turbomole-DZ
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  72. share/dalton/basis/Turbomole-QZV
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  84. share/dalton/basis/UnitTest_genD
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  141. share/dalton/basis/aug-ccJ-pVTZ
  142. share/dalton/basis/aug-pV7Z
  143. share/dalton/basis/aug-pc-0_emsl
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  343. share/dalton/basis/transformformattetBasistoFreeFormat.f90
  344. share/dalton/tools/FChk2HES
  345. share/dalton/tools/aces2dalton
  346. share/dalton/tools/distances
  347. share/dalton/tools/labread
  348. share/dalton/tools/xyz2dalton
  349. @owner
  350. @group
  351. @mode
Collapse this list.
Dependency lines:
  • dalton>0:science/dalton
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
PKGNAME: dalton
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
dalton
ABIlatestquarterly
FreeBSD:11:aarch642016.22018.2_2
FreeBSD:11:amd642020.02020.0
FreeBSD:11:armv6--
FreeBSD:11:i3862020.02020.0
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch642016.22020.0
FreeBSD:12:amd642020.02020.0
FreeBSD:12:armv62016.2-
FreeBSD:12:armv7--
FreeBSD:12:i3862020.02020.0
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64-2020.0
FreeBSD:13:aarch642020.02020.0
FreeBSD:13:amd642020.02020.0
FreeBSD:13:armv62020.0-
FreeBSD:13:armv72020.0-
FreeBSD:13:i3862020.02020.0
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc642020.0-
FreeBSD:14:aarch642020.0-
FreeBSD:14:amd642020.0-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i3862020.0-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc642020.0-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake
  2. gfortran10 : lang/gcc10
  3. python3.8 : lang/python38
  4. as : devel/binutils
Runtime dependencies:
  1. bash : shells/bash
  2. gfortran10 : lang/gcc10
Library dependencies:
  1. liblapack.so : math/lapack
  2. libopenblas.so : math/openblas
There are no ports dependent upon this port

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (2 items)
Collapse this list.
  1. https://codeload.github.com/dalton/dalton/tar.gz/2020.0?dummy=/
  2. https://gitlab.com/dalton/dalton/-/archive/66052b3af5ea7225e31178bf9a8b031913c72190.tar.gz?dummy=/
Collapse this list.

Number of commits found: 16

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
09 Apr 2021 18:44:23
 files touched by this commit commit hash:911f04257e3175fca4e46c7d57bf5ca79767e209  2020.0
mfechner search for other commits by this committer
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
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  2020.0
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  2020.0
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
16 Nov 2020 02:14:25
Original commit files touched by this commit Revision:555443  2020.0
yuri search for other commits by this committer
science/dalton: Update 2018.2 -> 2020.0
06 May 2020 16:11:15
Original commit files touched by this commit Revision:534185  2018.2_2
yuri search for other commits by this committer
Bump 46 ports depending on math/openblas because the after the recent
math/openblas update the library name changed in openblas.
30 Jan 2020 14:17:44
Original commit files touched by this commit Revision:524642  2018.2_1
swills search for other commits by this committer
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
04 Aug 2019 04:22:31
Original commit files touched by this commit Revision:508051  2018.2
yuri search for other commits by this committer
science/dalton: Update 2018.0 -> 2018.2

Reported by:	repology
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  2018.0_2
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
03 May 2019 13:58:34
Original commit files touched by this commit Revision:500732  2018.0_1
mat search for other commits by this committer
Fix the a ports that were broken but did not know it.

Differential Revision:	https://reviews.freebsd.org/D20140
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  2018.0_1
gerald search for other commits by this committer
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
25 Dec 2018 20:25:40
Original commit files touched by this commit Revision:488341  2018.0
tcberner search for other commits by this committer
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
17 Dec 2018 04:30:02
Original commit files touched by this commit Revision:487650  2018.0
yuri search for other commits by this committer
science/dalton: Update 2016.2 -> 2018.0
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  2016.2_2
gerald search for other commits by this committer
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
04 Nov 2018 18:15:36
Original commit files touched by this commit Revision:484118  2016.2_1
yuri search for other commits by this committer
science/dalton: Fix build with GCC8

Backport the upstream patch that fixed the issue.

PR:		232959
Reported by:	gerald
02 Sep 2018 07:53:31
Original commit files touched by this commit Revision:478767  2016.2
yuri search for other commits by this committer
science/dalton: Fix license.
02 Sep 2018 07:49:03
Original commit files touched by this commit Revision:478766  2016.2
yuri search for other commits by this committer
New port: science/dalton: Powerful molecular electronic structure program for
quantum chemistry

Number of commits found: 16