Summary
Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental). These functionals depend on local information, in the sense that the value of the potential at a given point depends only on the values of the density -- and the gradient of the density and the kinetic energy density, for the GGA and mGGA cases. It can calculate the functional itself and its derivative; for some functionals, higher-order derivatives are available. Libxc is written in C and has Fortran bindings. It is released under the LGPL license (v. 3.0). Contributions are welcome.
Versions
v5.1.7 :: 0 :: gentoo
- Modified
- License
- MPL-2.0
- Keywords
- amd64 ~amd64-linux ~x86
- USE flags
- fortran test
USE flags
General
Dependencies
Runtime Dependencies
Depending packages
sci-chemistry / votca : Versatile Object-oriented Toolkit for Coarse-graining Applications
Bugs
Change logs
- Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-libs/libxc: destabilize for ~x86
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolić · gentoo
sci-libs/libxc: drop 5.1.0, 5.1.4, 5.1.6
Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> - Jakov Smolić · gentoo
sci-libs/libxc: Stabilize 5.1.7 x86, #830770
Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolić · gentoo
sci-libs/libxc: Stabilize 5.1.7 amd64, #830770
Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-libs/libxc: add 5.1.7
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-libs/libxc: Stabilize 5.1.6 amd64, #821907
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Agostino Sarubbo · gentoo
sci-libs/libxc: amd64 stable wrt bug #816219
Package-Manager: Portage-3.0.20, Repoman-3.0.3 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolić · gentoo
sci-libs/libxc: Version bump to 5.1.6
Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Remove old 5.1.1
Closes: https://bugs.gentoo.org/772893 Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Jakov Smolic · gentoo
sci-libs/libxc: Bump to 5.1.4
Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Remove old
Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: Sam James <sam@gentoo.org> - Sam James · gentoo
sci-libs/libxc: Stabilize 5.1.0 amd64, #770406
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-libs/libxc: Stabilize 5.1.0 x86, #770406
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Fix broken symlink
Closes: https://bugs.gentoo.org/771120 Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Bump to 5.1.1
Closes: https://github.com/gentoo/gentoo/pull/18454 Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Remove old
Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Jakov Smolic · gentoo
sci-libs/libxc: Fix broken symlink
Closes: https://bugs.gentoo.org/766941 Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolic · gentoo
sci-libs/libxc: Bump to 5.1.0
Closes: https://github.com/gentoo/gentoo/pull/19179 Suggested-by: Horea Christian <chr@chymera.eu> Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Aaron Bauman · gentoo
sci-libs/libxc: drop old EAPI=5
Signed-off-by: Aaron Bauman <bman@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Agostino Sarubbo · gentoo
sci-libs/libxc: x86 stable wrt bug #685046
Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Sokolov · gentoo
sci-libs/libxc: update homepage
Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Sokolov <sokolov@google.com> Signed-off-by: Aaron Bauman <bman@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Mikle Kolyada · gentoo
sci-libs/libxc: amd64 stable wrt bug #685046
Signed-off-by: Mikle Kolyada <zlogene@gentoo.org> Package-Manager: Portage-2.3.62, Repoman-2.3.11 RepoMan-Options: --include-arches="amd64" - Repository mirror & CI · gentoo
Merge updates from master - Christoph Junghans · gentoo
sci-libs/libxc: initial import for sci overlay
Package-Manager: Portage-2.3.49, Repoman-2.3.10 Signed-off-by: Christoph Junghans <junghans@gentoo.org>