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commit: b882f3c1ee8334485c5e14033a86867a53cd16c2 |
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Author: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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AuthorDate: Sun Sep 19 15:18:06 2021 +0000 |
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Commit: Christoph Junghans <junghans <AT> gentoo <DOT> org> |
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CommitDate: Sun Sep 19 15:20:43 2021 +0000 |
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URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=b882f3c1 |
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|
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sci-chemistry/votca-csg: version bump |
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|
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Package-Manager: Portage-3.0.20, Repoman-3.0.3 |
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Signed-off-by: Christoph Junghans <junghans <AT> gentoo.org> |
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|
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sci-chemistry/votca-csg/Manifest | 2 + |
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sci-chemistry/votca-csg/votca-csg-2021.2.ebuild | 87 +++++++++++++++++++++++++ |
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2 files changed, 89 insertions(+) |
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|
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diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest |
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index 1f9bfdbfa13..ce6c049cb04 100644 |
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--- a/sci-chemistry/votca-csg/Manifest |
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+++ b/sci-chemistry/votca-csg/Manifest |
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@@ -1,10 +1,12 @@ |
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DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c |
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DIST votca-csg-1.6.4.tar.gz 537966 BLAKE2B c9ccc3aa28bdc4a2a2c080104b70602d8cf4be19a71e7d0b4a1c03d11f54b645984103d1662823a9308a4e4c4baedef731de06ff314b168f89e7326c0d3c8ee9 SHA512 4cdbf6c0a593720675f48f574ff9a93d038a48037543c1e09a4559d3eb262a2d8bf83d5f5dab85b4820a541e0c57f7cca78315d5b3382763e8acd8cc0fcb65ac |
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DIST votca-csg-2021.1.tar.gz 4300862 BLAKE2B 4ef287a8b0e14e97bcbc293bebdc3a0c45a08bd0033044ef8aa1ac18bac04928010ab3f5edfb656f1d062926f4572a1f3b0e55b3b3b635fdc388e5b850ec3bba SHA512 e1abdd34a3d88aea253cc10e7832a18d2cffc44286e4591c5a1239bf34e68d6c40054d3eb907a902e5ab6af5a9dea4ec266ff5ce59073b500413f4e122885e94 |
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+DIST votca-csg-2021.2.tar.gz 4300675 BLAKE2B 8db666e77bc7d6d8da34fed97b0466e5296019aa703f324d46531992c0af544c31b2e3e4595883791cef7acd6d2d52eff8edc7eeedecaae0eb9e0cbf334748ab SHA512 5808edd96199cad6e5fc803a0e489f3d2f376da3d64f565536cc37561a0fcd22960563af7d3f86522bcc7336c8d6f7c7f6501b36feb960aae5168904156bfbf6 |
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DIST votca-csg-2021.tar.gz 4300573 BLAKE2B ba589c97f22888b8a1a12c71314133c08c89e44c201bafa6e5f1d74dfe90c87dd84a5d1c2883b26402858b6aa990d37add57bdfb9db6836a7c287f0685a40a59 SHA512 8eacf4045ddc13d33e853cd35a67d03dfb63da60c3e879ea4f16e63f27a92aa13cbf4e367d9258778c9c09462443e4bb2b937c247c6246377ceeecf56bc6fc12 |
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DIST votca-csg-manual-1.5.1.pdf 1263719 BLAKE2B 29e2ce27215787a1121e45ec1e88ce7c61ba81709a2519aa0959eede505498b9aaf4f38666bb1a4f97837c98b862e7ed02405da07294a7ec76cc80390fe72e0d SHA512 7d9fb4c635383e1b9c9547691f8729e19f273fcafc4dab2a6b438b3ce98ea05bd31887d09bc4edc86ceb0b04d71a4371aed7aadc3ba6864f7be2ef3328ede642 |
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DIST votca-csg-manual-1.6.4.pdf 1242124 BLAKE2B 003a255d2869c8185f9e03038f646a80b682be3daceb18757c791f5d52101379402aee20c5dcb65ef8ce651bd6f6590ad5249e835e53ce92e04eb33214017a9e SHA512 36956acd24a21cb0a1dd26d6640b41b7473132948327c05856191b4f9531b4d1d5f98be68a9d1a847935d47633d483e87c2300634233a6e617a010c1fb563690 |
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DIST votca-csg-tutorials-1.5.1.tar.gz 5949467 BLAKE2B c6de6084fbb1d2c4ac2ce75d01a1153eabc63386063de800ff2dc6b483b0568191e7f06ddcb8be46123224ccfd3a97f5fb4e7cd603c0ee99a8636d7143f6c701 SHA512 f2e709ae31d914fe12a4ce37b5019deb878b15ade14972f2a8204bec8970ba2c8946b71b94a5bfd6f7569e41173bfbc75275ea09cbee4358ad1de0e84751049c |
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DIST votca-csg-tutorials-1.6.4.tar.gz 5944389 BLAKE2B 66f1d4947bb28ec602250226ad2c08cc02278a90776acbcadca2df3078361435fb2353ee0fa299d0d19697d36682f20aab709d45539d5ac7e7070942601ebc3f SHA512 7e40037f2e70c861fd7f5c63806c17ad56672a340a8795fa745414940c55f593bef32b9f6b9050400131ed9e66aa927149e9d324a1c264364d8504baf1921e28 |
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DIST votca-csg-tutorials-2021.1.tar.gz 5941978 BLAKE2B 5e6c5cfc3860e287d93cf8d59862a75e3afe7ac1610e696427e99302a99c86d12ce12f7a23281f36c8859e48a25be138466b9316f4c0667d5bf784f33c27e6df SHA512 8370ac9e2e859153f9a54b2e02cd18692fd06810dafb50a6bf3d81eca5211847e1b75d9832df80b1436ae0f9dcab455aa0bfb4c8122165c584cabd14203408ba |
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+DIST votca-csg-tutorials-2021.2.tar.gz 5942042 BLAKE2B a03627406a3b56ebf978dc82629e1f0950bfbb121a0f6c7fd60341986efe4892ba8bf1e6b526e6df2df5fb81351177ad97816568521b9dc6a91e72d6853c1e62 SHA512 3ddeb3e57353e6d4e59163ee1303b39d4e3b623309875f280bf8c02dde76d0615b32a27ea960a301b61b81034a538df87dfe97a53dfdd0c81f52629eadd64f1f |
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DIST votca-csg-tutorials-2021.tar.gz 5942031 BLAKE2B 60ef492c98bf07b5169c6f1be2298b6dac76003ef9981064463de9fdae649c215d469424e253d06b63637bb3eee9383c587a98322ab987995f8b4861bb0002e1 SHA512 844706407cb91d507c6b0433e23f4b27756dd4c882f6cef79d51f2b2acae6cd0114ccd91d626d090d0f61c58a57cc3c1eda0a0d10d6f4bfa522eda7ee8de21b3 |
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|
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diff --git a/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild b/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild |
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new file mode 100644 |
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index 00000000000..eb83c3f2c7a |
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--- /dev/null |
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+++ b/sci-chemistry/votca-csg/votca-csg-2021.2.ebuild |
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@@ -0,0 +1,87 @@ |
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+# Copyright 1999-2021 Gentoo Authors |
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+# Distributed under the terms of the GNU General Public License v2 |
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+ |
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+EAPI=7 |
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+ |
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+inherit bash-completion-r1 cmake |
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+ |
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+if [[ ${PV} == *9999 ]]; then |
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+ inherit git-r3 |
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+ EGIT_REPO_URI="https://github.com/${PN/-//}.git" |
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+else |
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+ SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz |
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+ examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" |
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+ KEYWORDS="~amd64 ~x86 ~amd64-linux" |
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+ S="${WORKDIR}/${P#votca-}" |
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+fi |
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+ |
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+DESCRIPTION="Votca coarse-graining engine" |
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+HOMEPAGE="https://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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+IUSE="examples extras +gromacs hdf5 test" |
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+RESTRICT="!test? ( test )" |
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+ |
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+RDEPEND=" |
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+ app-shells/bash:* |
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+ >=dev-cpp/eigen-3.3 |
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+ dev-lang/perl |
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+ ~sci-libs/votca-tools-${PV} |
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+ gromacs? ( sci-chemistry/gromacs:= ) |
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+ hdf5? ( sci-libs/hdf5 ) |
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+" |
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+DEPEND="${RDEPEND}" |
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+BDEPEND=" |
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+ >=app-text/txt2tags-2.5 |
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+ virtual/pkgconfig |
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+" |
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+ |
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+DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) |
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+ |
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+src_unpack() { |
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+ if [[ ${PV} == *9999 ]]; then |
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+ git-r3_src_unpack |
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+ if use examples; then |
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+ EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" |
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+ EGIT_BRANCH="master" |
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+ EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials" \ |
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+ git-r3_src_unpack |
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+ fi |
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+ else |
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+ default |
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+ fi |
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+} |
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+ |
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+src_configure() { |
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+ local mycmakeargs=( |
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+ -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs) |
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+ -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex !hdf5) |
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+ -DBUILD_CSGAPPS=$(usex extras) |
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+ -DENABLE_TESTING=$(usex test) |
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+ ) |
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+ cmake_src_configure |
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+} |
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+ |
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+src_install() { |
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+ cmake_src_install |
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+ newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call |
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+ for i in "${ED}"/usr/bin/csg_*; do |
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+ [[ ${i} = *csg_call ]] && continue |
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+ bashcomp_alias csg_call "${i##*/}" |
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+ done |
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+ if use examples; then |
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+ insinto "/usr/share/doc/${PF}/tutorials" |
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+ docompress -x "/usr/share/doc/${PF}/tutorials" |
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+ rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* |
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+ doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* |
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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, J. Chem. Theory Comput. 5, 3211 (2009). " |
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+ einfo "https://dx.doi.org/10.1021/ct900369w" |
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+ einfo |
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+} |
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