BSD Ports

science/xcfun 2.1.1.1 FreeBSD

Exchange-correlation functionals with arbitrary-order derivatives

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
License
MPL20
Categories
science
Package size
2297.8 KiB, 6177.5 KiB installed

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.

In the other systems

SystemPortVersion
FreeBSDscience/xcfun2.1.1.1
DragonFlyscience/xcfun2.1.1.1

Install

Binary package:

pkg install xcfun

From the ports tree:

cd /usr/ports/science/xcfun/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	xcfun>0:science/xcfun
LIB_DEPENDS=	libxcfun.so:science/xcfun

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest2.1.1.12.1.1.12.1.1.12.1.1.12.1.1.1
FreeBSD:14:quarterly2.1.1.12.1.1.1n/a2.1.1.12.1.1.1
FreeBSD:15:latest2.1.1.12.1.1.1n/a2.1.1.12.1.1.1
FreeBSD:15:quarterly2.1.1.12.1.1.1n/an/an/a
FreeBSD:16:latest2.1.1.12.1.1.1n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/a

Dependencies

The Makefile names none itself; they come from USES and USE_*.

The full lists below include those, and their dependencies in turn.

Build dependencies 15

Configuration

No options to configure.

USES
cmake compiler:c++11-lang
Service scripts
none

Files

pkg-plist 33
  • include/XCFun/XCFunExport.h
  • include/XCFun/XCFunctional.hpp
  • include/XCFun/config.hpp
  • include/XCFun/densvars.hpp
  • include/XCFun/functional.hpp
  • include/XCFun/functionals/SCAN_like_eps.hpp
  • include/XCFun/functionals/b97c.hpp
  • include/XCFun/functionals/b97x.hpp
  • include/XCFun/functionals/b97xc.hpp
  • include/XCFun/functionals/constants.hpp
  • include/XCFun/functionals/list_of_functionals.hpp
  • include/XCFun/functionals/m0xy_fun.hpp
  • include/XCFun/functionals/pbec_eps.hpp
  • include/XCFun/functionals/pbex.hpp
  • include/XCFun/functionals/pw92eps.hpp
  • include/XCFun/functionals/pw9xx.hpp
  • include/XCFun/functionals/pz81c.hpp
  • include/XCFun/functionals/revtpssc_eps.hpp
  • include/XCFun/functionals/revtpssx_eps.hpp
  • include/XCFun/functionals/slater.hpp
  • include/XCFun/functionals/tpssc_eps.hpp
  • include/XCFun/functionals/tpssx_eps.hpp
  • include/XCFun/functionals/vwn.hpp
  • include/XCFun/specmath.hpp
  • include/XCFun/xcfun.f90
  • include/XCFun/xcfun.h
  • include/XCFun/xcint.hpp
  • lib/libxcfun.so
  • lib/libxcfun.so.2
  • share/cmake/XCFun/XCFunConfig.cmake
  • share/cmake/XCFun/XCFunConfigVersion.cmake
  • share/cmake/XCFun/XCFunTargets-.cmake
  • share/cmake/XCFun/XCFunTargets.cmake
distinfo 1
FileSizeSHA256
dftlibs-xcfun-v2.1.1-1-gf87ca0e_GH0.tar.gz1755685a6a98a880a529c74319f646c5da3b4e4ef8539dcf03e104e1db123bda09c246

Commit history 0

No commits in the history this site was built from.