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commit: 551afdbc2b2a72fff0dae392979b7df1c5ed5721 |
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Author: Christoph Junghans <ottxor <AT> gentoo <DOT> org> |
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AuthorDate: Tue Sep 27 18:13:02 2016 +0000 |
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Commit: Christoph Junghans <ottxor <AT> gentoo <DOT> org> |
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CommitDate: Tue Sep 27 18:13:37 2016 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=551afdbc |
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|
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sci-chemistry/votca-xtp: initial commit |
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|
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Package-Manager: portage-2.3.0 |
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|
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sci-chemistry/votca-xtp/Manifest | 2 + |
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sci-chemistry/votca-xtp/metadata.xml | 15 +++++ |
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sci-chemistry/votca-xtp/votca-xtp-1.4_rc1.ebuild | 71 ++++++++++++++++++++++++ |
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sci-chemistry/votca-xtp/votca-xtp-9999.ebuild | 71 ++++++++++++++++++++++++ |
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4 files changed, 159 insertions(+) |
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|
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diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest |
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new file mode 100644 |
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index 00000000..ab1a26b |
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--- /dev/null |
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+++ b/sci-chemistry/votca-xtp/Manifest |
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@@ -0,0 +1,2 @@ |
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+DIST votca-xtp-1.4_rc1.tar.gz 15210079 SHA256 b3c839b0cd372399a9de3e06a2d1aedb926ccde4d2df3b9600bc1470ddb0b7df SHA512 ae8d39471d87ba5caee7fd8f5f5c7562f1d5a2cb0952566e0412a7dd614af746e492d77409746ba1cd92cdc8836b902aa4d78a24f66d54904ee32cc371b7d399 WHIRLPOOL 251df4c041dad352cc2e28fc834b9c0fc1c073b4442ba5760b0df19c7addcc6d34d1ac203c4c002630c75ed24b73d8551045c82bbd1b36e55b694166c31cd32f |
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+DIST votca-xtp-manual-1.4_rc1.pdf 1064036 SHA256 641a0ee0f95a31f01cf8efccfecf00fea6b353206ded3b06bfd0147c1216df99 SHA512 c877535d09faab51bc023c0e3851327fa2cd5139df6291b764d7207605da339aedd883eaf356b6152532f76d803b408b0264efcabb3ba03dcf6d074028285c46 WHIRLPOOL a4f8f8e8b48a66e73b9ae48e4db0449232b025f6431522c6089b4e09dcc4d72aeeb9bd7c6625b1a00c6210dbbbb59c5d741b3db2c01bb752015e01f32428d772 |
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|
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diff --git a/sci-chemistry/votca-xtp/metadata.xml b/sci-chemistry/votca-xtp/metadata.xml |
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new file mode 100644 |
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index 00000000..9d258fe |
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--- /dev/null |
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+++ b/sci-chemistry/votca-xtp/metadata.xml |
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@@ -0,0 +1,15 @@ |
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+<?xml version="1.0" encoding="UTF-8"?> |
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+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> |
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+<pkgmetadata> |
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+ <maintainer type="person"> |
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+ <email>ottxor@g.o</email> |
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+ <name>Christoph Junghans</name> |
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+ </maintainer> |
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+ <maintainer type="project"> |
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+ <email>sci-chemistry@g.o</email> |
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+ <name>Gentoo Chemistry Project</name> |
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+ </maintainer> |
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+ <upstream> |
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+ <remote-id type="github">votca/xtp</remote-id> |
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+ </upstream> |
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+</pkgmetadata> |
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|
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diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4_rc1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.4_rc1.ebuild |
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new file mode 100644 |
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index 00000000..d00cbee |
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--- /dev/null |
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+++ b/sci-chemistry/votca-xtp/votca-xtp-1.4_rc1.ebuild |
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@@ -0,0 +1,71 @@ |
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+# Copyright 1999-2016 Gentoo Foundation |
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+# Distributed under the terms of the GNU General Public License v2 |
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+# $Id$ |
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+ |
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+EAPI=6 |
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+ |
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+CMAKE_MAKEFILE_GENERATOR="ninja" |
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+ |
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+inherit bash-completion-r1 cmake-utils multilib |
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+ |
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+IUSE="doc" |
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+if [ "${PV}" != "9999" ]; then |
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+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz |
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+ doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" |
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+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos" |
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+ S="${WORKDIR}/${P#votca-}" |
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+else |
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+ inherit git-r3 |
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+ EGIT_REPO_URI="git://github.com/${PN/-//}.git https://github.com/${PN/-//}.git" |
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+ KEYWORDS="" |
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+fi |
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+ |
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+DESCRIPTION="Votca excitation and charge properties module" |
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+HOMEPAGE="http://www.votca.org" |
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+ |
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+LICENSE="Apache-2.0" |
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+SLOT="0" |
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+ |
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+RDEPEND=" |
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+ =sci-chemistry/votca-csg-${PV}" |
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+ |
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+DEPEND="${RDEPEND} |
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+ doc? ( |
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+ app-doc/doxygen[dot] |
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+ dev-texlive/texlive-latexextra |
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+ virtual/latex-base |
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+ dev-tex/pgf |
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+ ) |
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+ >=app-text/txt2tags-2.5 |
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+ virtual/pkgconfig" |
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+ |
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+DOCS=( README NOTICE CHANGELOG.md ) |
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+ |
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+src_configure() { |
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+ mycmakeargs=( |
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+ -DLIB=$(get_libdir) |
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+ ) |
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+ cmake-utils_src_configure |
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+} |
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+ |
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+src_install() { |
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+ cmake-utils_src_install |
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+ if use doc; then |
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+ if [[ ${PV} = *9999* ]]; then |
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+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual |
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+ newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf" |
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+ else |
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+ dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" |
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+ fi |
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+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html |
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+ dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html |
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+ fi |
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+} |
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+ |
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+pkg_postinst() { |
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+ einfo |
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+ einfo "Please read and cite:" |
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+ einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)" |
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+ einfo "http://dx.doi.org/10.1021/ct200388s" |
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+ einfo |
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+} |
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|
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diff --git a/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild |
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new file mode 100644 |
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index 00000000..d00cbee |
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--- /dev/null |
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+++ b/sci-chemistry/votca-xtp/votca-xtp-9999.ebuild |
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@@ -0,0 +1,71 @@ |
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+# Copyright 1999-2016 Gentoo Foundation |
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+# Distributed under the terms of the GNU General Public License v2 |
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+# $Id$ |
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+ |
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+EAPI=6 |
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+ |
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+CMAKE_MAKEFILE_GENERATOR="ninja" |
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+ |
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+inherit bash-completion-r1 cmake-utils multilib |
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+ |
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+IUSE="doc" |
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+if [ "${PV}" != "9999" ]; then |
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+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz |
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+ doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" |
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+ KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-macos" |
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+ S="${WORKDIR}/${P#votca-}" |
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+else |
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+ inherit git-r3 |
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+ EGIT_REPO_URI="git://github.com/${PN/-//}.git https://github.com/${PN/-//}.git" |
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+ KEYWORDS="" |
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+fi |
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+ |
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+DESCRIPTION="Votca excitation and charge properties module" |
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+HOMEPAGE="http://www.votca.org" |
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+ |
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+LICENSE="Apache-2.0" |
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+SLOT="0" |
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+ |
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+RDEPEND=" |
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+ =sci-chemistry/votca-csg-${PV}" |
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+ |
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+DEPEND="${RDEPEND} |
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+ doc? ( |
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+ app-doc/doxygen[dot] |
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+ dev-texlive/texlive-latexextra |
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+ virtual/latex-base |
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+ dev-tex/pgf |
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+ ) |
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+ >=app-text/txt2tags-2.5 |
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+ virtual/pkgconfig" |
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+ |
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+DOCS=( README NOTICE CHANGELOG.md ) |
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+ |
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+src_configure() { |
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+ mycmakeargs=( |
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+ -DLIB=$(get_libdir) |
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+ ) |
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+ cmake-utils_src_configure |
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+} |
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+ |
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+src_install() { |
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+ cmake-utils_src_install |
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+ if use doc; then |
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+ if [[ ${PV} = *9999* ]]; then |
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+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual |
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+ newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf" |
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+ else |
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+ dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" |
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+ fi |
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+ cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html |
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+ dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html |
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+ fi |
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+} |
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+ |
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+pkg_postinst() { |
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+ einfo |
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+ einfo "Please read and cite:" |
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+ einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)" |
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+ einfo "http://dx.doi.org/10.1021/ct200388s" |
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+ einfo |
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+} |