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Port details
py-dftbplus DFTB+: Package for performing fast atomistic simulations
24.1 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 23.1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2023-06-04 20:33:40
Last Update: 2024-05-28 08:12:11
Commit Hash: e44abcf
License: GPLv3
WWW:
https://dftbplus.org/
Description:
DFTB+ is a fast and efficient versatile quantum mechanical simulation software package. Using DFTB+ you can carry out quantum mechanical simulations similar to density functional theory but in an approximate way, typically gaining around two orders of magnitude in speed. DFTB+ can be used either as a standalone application or embeded it into other academic or commercial simulation packages as a library.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}dftbplus>0:science/py-dftbplus@${PY_FLAVOR}
To install the port:
cd /usr/ports/science/py-dftbplus/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-dftbplus
  • pkg install py39-dftbplus
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
NOTE: This is a Python port. Instead of py39-dftbplus listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py39-dftbplus
Package flavors (<flavor>: <package>)
  • py39: py39-dftbplus
distinfo:
TIMESTAMP = 1716867991 SHA256 (dftbplus-dftbplus-24.1_GH0.tar.gz) = 776d83779666e06bf2930c3b1665cdb8e7409b8003e33e0178fbae8b47f5e0b1 SIZE (dftbplus-dftbplus-24.1_GH0.tar.gz) = 5902651

Packages (timestamps in pop-ups are UTC):
py311-dftbplus
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-24.1------
FreeBSD:13:quarterly--------
FreeBSD:14:latest-24.1------
FreeBSD:14:quarterly-24.1------
FreeBSD:15:latest-24.1n/a-n/a---
 

py39-dftbplus
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest--------
FreeBSD:13:quarterly-23.1------
FreeBSD:14:latest--------
FreeBSD:14:quarterly--------
FreeBSD:15:latest--n/a-n/a---
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. gfortran13 : lang/gcc13
  2. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  3. python3.9 : lang/python39
  4. gcc13 : lang/gcc13
  5. as : devel/binutils
Test dependencies:
  1. python3.9 : lang/python39
Runtime dependencies:
  1. dftbplus>0 : science/dftbplus
  2. gfortran13 : lang/gcc13
  3. py39-setuptools>=63.1.0 : devel/py-setuptools@py39
  4. python3.9 : lang/python39
  5. gcc13 : lang/gcc13
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_py-dftbplus
USES:
compiler:gcc-c++11-lib fortran python shebangfix
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/dftbplus/dftbplus/tar.gz/24.1?dummy=/
Collapse this list.

Number of commits found: 3

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
24.1
28 May 2024 08:12:11
commit hash: e44abcf250e3fdf419007cd65a773aacf8cb3a56commit hash: e44abcf250e3fdf419007cd65a773aacf8cb3a56commit hash: e44abcf250e3fdf419007cd65a773aacf8cb3a56commit hash: e44abcf250e3fdf419007cd65a773aacf8cb3a56 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}dftbplus: update 23.1 → 24.1
23.1
12 Jul 2023 03:21:05
commit hash: 1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501commit hash: 1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501commit hash: 1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501commit hash: 1e4eb1f53c83cbe07627c99e6e1f69a8eef1b501 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/{,py-}dftbplus: Update 22.2 → 23.1

Reported by:	portscout
22.2
04 Jun 2023 20:30:54
commit hash: 602af4ba35f9b0f52caf88bd0a2d1e99b3d8a487commit hash: 602af4ba35f9b0f52caf88bd0a2d1e99b3d8a487commit hash: 602af4ba35f9b0f52caf88bd0a2d1e99b3d8a487commit hash: 602af4ba35f9b0f52caf88bd0a2d1e99b3d8a487 files touched by this commit
Yuri Victorovich (yuri) search for other commits by this committer
science/py-dftbplus: New port: DFTB+: Package for performing fast atomistic
simulations

Number of commits found: 3