Port details on branch 2022Q2 |
- xcfun Exchange-correlation functionals with arbitrary-order derivatives
- 2.1.1.1 science =0 2.1.1.1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2021-06-05 20:03:09
- Last Update: 2022-09-07 21:58:51
- Commit Hash: fb16dfe
- License: MPL20
- WWW:
- https://xcfun.readthedocs.io/en/latest/
- Description:
- XCFun is a library of exchange-correlation (XC) functionals to be used in
density-functional theory (DFT) codes. XCFun follows a unique implementation
strategy which enables the computation of derivatives of the XC functional
kernel up to arbitrary order. It does so by relying on forward-mode automatic
differentiation.
- ¦ ¦ ¦ ¦
- 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/xcfun/ && make install clean
- To add the package, run one of these commands:
- pkg install science/xcfun
- pkg install xcfun
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: xcfun
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1623010695
SHA256 (dftlibs-xcfun-v2.1.1-1-gf87ca0e_GH0.tar.gz) = 5a6a98a880a529c74319f646c5da3b4e4ef8539dcf03e104e1db123bda09c246
SIZE (dftlibs-xcfun-v2.1.1-1-gf87ca0e_GH0.tar.gz) = 175568
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
- ninja : devel/ninja
- This port is required by:
- for Libraries
-
- science/mrchem
- science/py-pyscf
Configuration Options:
- No options to configure
- Options name:
- science_xcfun
- USES:
- cmake compiler:c++11-lang
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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