sci-chemistry / votca-xtp

Votca excitation and charge properties module

Official package sites : https://www.votca.org/ ·

v9999 :: 0 :: gentoo

Modified
License
Apache-2.0
USE flags
test

v2021 :: 0 :: gentoo

Modified
License
Apache-2.0
Keywords
~amd64 ~amd64-linux ~x86

v1.6.4 :: 0 :: gentoo

Modified
License
Apache-2.0
Keywords
amd64 x86 ~amd64-linux

General

test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

dev-cpp / eigen : C++ template library for linear algebra

sci-chemistry / votca-csg : Votca coarse-graining engine

sci-libs / hdf5 : General purpose library and file format for storing scientific data

sci-libs / libecpint : Efficient evaluation of integrals over ab initio effective core potentials

sci-libs / libint : Matrix elements (integrals) evaluation over Cartesian Gaussian functions

sci-libs / libxc : A library of exchange-correlation functionals for use in DFT

sci-libs / votca-tools : Votca tools library

dev-cpp / eigen : C++ template library for linear algebra

sci-chemistry / votca-csg : Votca coarse-graining engine

sci-libs / hdf5 : General purpose library and file format for storing scientific data

sci-libs / libecpint : Efficient evaluation of integrals over ab initio effective core potentials

sci-libs / libint : Matrix elements (integrals) evaluation over Cartesian Gaussian functions

sci-libs / libxc : A library of exchange-correlation functionals for use in DFT

sci-libs / votca-tools : Votca tools library

773175
sci-chemistry/votca-ctp last-rites?; <sci-libs/votca-tools-1.6.4 cleanup (was: sci-chemistry/votca-csg-1.6.4, sci-chemistry/votca-xtp-1.6.4 stabilisation)
Repository mirror & CI · gentoo
Merge updates from master
Andreas Sturmlechner · gentoo
sci-chemistry/votca-xtp: Drop 1.6
Bug: https://bugs.gentoo.org/773175 Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
Repository mirror & CI · gentoo
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Agostino Sarubbo · gentoo
sci-chemistry/votca-xtp: x86 stable wrt bug #773175
Package-Manager: Portage-3.0.13, Repoman-3.0.2 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
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Sam James · gentoo
sci-chemistry/votca-xtp: Stabilize 1.6.4 amd64, #773175
Signed-off-by: Sam James <sam@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: live ebuild updates
Package-Manager: Portage-3.0.13, Repoman-3.0.2 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-3.0.13, Repoman-3.0.2 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Andreas Sturmlechner · gentoo
sci-chemistry/votca-xtp: Fix EAPI-7 bump, drop unused multilib
CMAKE_MAKEFILE_GENERATOR=ninja is default in EAPI-7/cmake.eclass Use https Use double brackets Sort RDEPEND Use BDEPEND Package-Manager: Portage-3.0.16, Repoman-3.0.2 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
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Sam James · gentoo
sci-chemistry/votca-xtp: fix double KEYWORDS
Double KEYWORDS lines break tools like ekeyword and Nattka. As per PMS, blank/empty KEYWORDS is implied by not defining the variable. See: https://projects.gentoo.org/qa/policy-guide/ebuild-format.html#pg0105 Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Sam James <sam@gentoo.org>
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Jakov Smolic · gentoo
sci-chemistry/votca-xtp: Remove old
Signed-off-by: Jakov Smolic <jakov.smolic@sartura.hr> Signed-off-by: David Seifert <soap@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/votca-xtp: add v1.6.4
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Fabian Groffen · gentoo
sci-chemistry/votca-xtp: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Fabian Groffen <grobian@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump to v1.6.3
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump to 1.6.2
Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Agostino Sarubbo · gentoo
sci-chemistry/votca-xtp: 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
Agostino Sarubbo · gentoo
sci-chemistry/votca-xtp: amd64 stable wrt bug #685046
Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
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Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fix deps
Closes: https://bugs.gentoo.org/715956 Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Mikle Kolyada · gentoo
sci-chemistry/votca-xtp: 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-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.51, Repoman-2.3.11 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fixed deps
Package-Manager: Portage-2.3.49, Repoman-2.3.10 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fix deps
Package-Manager: Portage-2.3.49, Repoman-2.3.10
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fix deps
Package-Manager: Portage-2.3.49, Repoman-2.3.10
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: votca-moo is now part of votca-ctp
Package-Manager: Portage-2.3.49, Repoman-2.3.10
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fix doc build
Package-Manager: Portage-2.3.6, Repoman-2.3.1
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: live ebuild update
Package-Manager: Portage-2.3.6, Repoman-2.3.1
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: Portage-2.3.6, Repoman-2.3.1
David Hicks · gentoo
sci-chemistry/votca-xtp: use HTTPS for GitHub and doc links
Package-Manager: Portage-2.3.6, Repoman-2.3.3
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
T. Malfatti · gentoo
media-libs/portaudio: Version bump
Agostino Sarubbo · gentoo
sci-chemistry/votca-xtp: x86 stable wrt bug #591702
Package-Manager: portage-2.3.0 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Tobias Klausmann · gentoo
sci-chemistry/votca-xtp-1.4-r0: stable on amd64
Gentoo-Bug: 591702
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: fix deps (bug #602174)
Package-Manager: portage-2.3.0
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: version bump
Package-Manager: portage-2.3.0
Christoph Junghans · gentoo
sci-chemistry/votca-xtp: initial commit
Package-Manager: portage-2.3.0