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Port details on branch 2022Q3
dalton Powerful molecular electronic structure program for quantum chemistry
2020.0_3 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 2020.0_2Version 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: 2024-01-01 11:49:51
Commit Hash: f2489ab
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.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (351 items)
Collapse this list.
  1. /usr/local/share/licenses/dalton-2020.0_3/catalog.mk
  2. /usr/local/share/licenses/dalton-2020.0_3/LICENSE
  3. /usr/local/share/licenses/dalton-2020.0_3/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*
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  20. share/dalton/basis/6-311++G**
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  55. share/dalton/basis/McLean-Chandler-VTZ
  56. share/dalton/basis/N07D:B3LYP
  57. share/dalton/basis/NASA-Ames-ANO
  58. share/dalton/basis/NQvD
  59. share/dalton/basis/STO-2G
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  62. share/dalton/basis/SV(Dunning-Hay)
  63. share/dalton/basis/SV+DoubleRydberg(Dunning-Hay)
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  67. share/dalton/basis/Sadlej-pVTZ
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  349. @owner
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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
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

Expand this list (6 items)

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SHA256 (dalton-dalton-66052b3af5ea7225e31178bf9a8b031913c72190_GL0.tar.gz) = 77154fe5d4a524adda4b8dcd22a7ee62418f4b3411e9103dd34f12ac789b208c SIZE (dalton-dalton-66052b3af5ea7225e31178bf9a8b031913c72190_GL0.tar.gz) = 34743446 SHA256 (bingao-gen1int-1e4148ecd676761b3399801acba443925a1fee6b_GL0.tar.gz) = df2e31d63224f7cc00464a9fa79a47b5188e99104554fa89b103573e481e6cc3 SIZE (bingao-gen1int-1e4148ecd676761b3399801acba443925a1fee6b_GL0.tar.gz) = 2890037 SHA256 (pe-software-pelib-public-cf49a6e04fdca09af6245fb68a36d20b68552ace_GL0.tar.gz) = af2dcb27bda6665d921ae0e88884e610d49aa87499d7942cf24a0c8d31e90e54 SIZE (pe-software-pelib-public-cf49a6e04fdca09af6245fb68a36d20b68552ace_GL0.tar.gz) = 86735

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Packages (timestamps in pop-ups are UTC):
dalton
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2020.0_32020.0_32020.0-2020.0_3-2020.0-
FreeBSD:13:quarterly2020.0_32020.0_3--2020.0_3-2020.0_3-
FreeBSD:14:latest2020.0_32020.0_3--2020.0_3---
FreeBSD:14:quarterly2020.0_32020.0_3--2020.0_3-2020.0_3-
FreeBSD:15:latest2020.0_32020.0_3n/a-n/a-2020.0_32020.0_3
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran12 : lang/gcc12
  3. python3.9 : lang/python39
  4. as : devel/binutils
Runtime dependencies:
  1. bash : shells/bash
  2. gfortran12 : lang/gcc12
Library dependencies:
  1. liblapack.so : math/lapack
  2. 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:
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  1. https://codeload.github.com/dalton/dalton/tar.gz/2020.0?dummy=/
  2. https://gitlab.com/dalton/dalton/-/archive/66052b3af5ea7225e31178bf9a8b031913c72190.tar.gz?dummy=/
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There are no commits on branch 2022Q3 for this port