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Port details on branch 2022Q2
xcfun Exchange-correlation functionals with arbitrary-order derivatives
2.1.1.1 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 2.1.1.1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
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.
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
Expand this list (40 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/xcfun-2.1.1.1/catalog.mk
  3. /usr/local/share/licenses/xcfun-2.1.1.1/LICENSE
  4. /usr/local/share/licenses/xcfun-2.1.1.1/MPL20
  5. include/XCFun/XCFunExport.h
  6. include/XCFun/XCFunctional.hpp
  7. include/XCFun/config.hpp
  8. include/XCFun/densvars.hpp
  9. include/XCFun/functional.hpp
  10. include/XCFun/functionals/SCAN_like_eps.hpp
  11. include/XCFun/functionals/b97c.hpp
  12. include/XCFun/functionals/b97x.hpp
  13. include/XCFun/functionals/b97xc.hpp
  14. include/XCFun/functionals/constants.hpp
  15. include/XCFun/functionals/list_of_functionals.hpp
  16. include/XCFun/functionals/m0xy_fun.hpp
  17. include/XCFun/functionals/pbec_eps.hpp
  18. include/XCFun/functionals/pbex.hpp
  19. include/XCFun/functionals/pw92eps.hpp
  20. include/XCFun/functionals/pw9xx.hpp
  21. include/XCFun/functionals/pz81c.hpp
  22. include/XCFun/functionals/revtpssc_eps.hpp
  23. include/XCFun/functionals/revtpssx_eps.hpp
  24. include/XCFun/functionals/slater.hpp
  25. include/XCFun/functionals/tpssc_eps.hpp
  26. include/XCFun/functionals/tpssx_eps.hpp
  27. include/XCFun/functionals/vwn.hpp
  28. include/XCFun/specmath.hpp
  29. include/XCFun/xcfun.f90
  30. include/XCFun/xcfun.h
  31. include/XCFun/xcint.hpp
  32. lib/libxcfun.so
  33. lib/libxcfun.so.2
  34. share/cmake/XCFun/XCFunConfig.cmake
  35. share/cmake/XCFun/XCFunConfigVersion.cmake
  36. share/cmake/XCFun/XCFunTargets-release.cmake
  37. share/cmake/XCFun/XCFunTargets.cmake
  38. @owner
  39. @group
  40. @mode
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Dependency lines:
  • xcfun>0:science/xcfun
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):
xcfun
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest2.1.1.12.1.1.1-2.1.1.12.1.1.1---
FreeBSD:13:quarterly2.1.1.12.1.1.12.1.1.12.1.1.12.1.1.12.1.1.12.1.1.12.1.1.1
FreeBSD:14:latest2.1.1.12.1.1.12.1.1.12.1.1.12.1.1.12.1.1.1-2.1.1.1
FreeBSD:14:quarterly2.1.1.12.1.1.1-2.1.1.12.1.1.12.1.1.12.1.1.12.1.1.1
FreeBSD:15:latest2.1.1.12.1.1.1n/a2.1.1.1n/a2.1.1.12.1.1.12.1.1.1
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. ninja : devel/ninja
This port is required by:
for Libraries
  1. science/mrchem
  2. 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:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/dftlibs/xcfun/tar.gz/v2.1.1-1-gf87ca0e?dummy=/
Collapse this list.

There are no commits on branch 2022Q2 for this port