| Port details |
- py-dftbplus DFTB+: Package for performing fast atomistic simulations
- 23.1 science
 =0      23.1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2023-06-04 20:33:40
- Last Update: 2023-07-12 03:21:05
- Commit Hash: 1e4eb1f
- 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.
  ¦  ¦  ¦  ¦ 
- 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>)
- distinfo:
- TIMESTAMP = 1689131171
SHA256 (dftbplus-dftbplus-23.1_GH0.tar.gz) = e3dfc60f533438fcaac394ad41fff5a5e46a3ae94bfa1a5fd05f71240cf70345
SIZE (dftbplus-dftbplus-23.1_GH0.tar.gz) = 5882282
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:
-
- gfortran12 : lang/gcc12
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- gcc12 : lang/gcc12
- as : devel/binutils
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- dftbplus>0 : science/dftbplus
- gfortran12 : lang/gcc12
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- gcc12 : lang/gcc12
- 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:
|
Number of commits found: 2
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
23.1
12 Jul 2023 03:21:05
 |
Yuri Victorovich (yuri) |
science/{,py-}dftbplus: Update 22.2 → 23.1
Reported by: portscout |
22.2
04 Jun 2023 20:30:54
|
Yuri Victorovich (yuri) |
science/py-dftbplus: New port: DFTB+: Package for performing fast atomistic
simulations |
Number of commits found: 2
|
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