diff options
Diffstat (limited to 'sci-chemistry')
39 files changed, 1 insertions, 1836 deletions
diff --git a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild b/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild deleted file mode 100644 index 0b96467c1de9..000000000000 --- a/sci-chemistry/MDAnalysis/MDAnalysis-0.18.0-r1.ebuild +++ /dev/null @@ -1,34 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -PYTHON_COMPAT=( python3_{6,7,8,9,10} ) - -inherit distutils-r1 - -DESCRIPTION="A python library to analyze and manipulate molecular dynamics trajectories" -HOMEPAGE="https://www.mdanalysis.org" -SRC_URI="mirror://pypi/M/${PN}/${P}.tar.gz" - -SLOT="0" -LICENSE="GPL-2" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="test" - -RDEPEND=" - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/scipy[${PYTHON_USEDEP}] - sci-biology/biopython[${PYTHON_USEDEP}] - dev-python/networkx[${PYTHON_USEDEP}] - dev-python/GridDataFormats[${PYTHON_USEDEP}] - dev-python/netcdf4-python[${PYTHON_USEDEP}] - dev-python/mmtf-python[${PYTHON_USEDEP}] - dev-python/gsd[${PYTHON_USEDEP}] - dev-python/mock[${PYTHON_USEDEP}] - dev-python/duecredit[${PYTHON_USEDEP}] -" -BDEPEND="${RDEPEND} - test? ( dev-python/nose[${PYTHON_USEDEP}] )" - -RESTRICT="!test? ( test )" diff --git a/sci-chemistry/MDAnalysis/Manifest b/sci-chemistry/MDAnalysis/Manifest index 2936149307db..5a903a9f3b7f 100644 --- a/sci-chemistry/MDAnalysis/Manifest +++ b/sci-chemistry/MDAnalysis/Manifest @@ -1,2 +1 @@ -DIST MDAnalysis-0.18.0.tar.gz 11085390 BLAKE2B 70b5530a0800370fbee2805d8c4cb495f2e339b29c13c0a2442e3310c1b941ccf459a19d0a490c47a28b77ffeeaca581100ef06b7196cb9fcdb1b71d5d0c871f SHA512 b235471c04ab2e117fe25e972d88a6245b1641f96d30eafd2f68949c8af8c1360eed49b1ec9960d8c386c0bbca8b3749cec322eb19f9975f15225983af0f5819 DIST MDAnalysis-1.0.0.tar.gz 19552874 BLAKE2B dab625a898d71a67a37ac5b58eb23ded9487f475e3c76f6c335a0ed5b32a43785d0473d089fcfc56c07263d82248bf5ee7b50c513441b10fc97f97b49411cc5f SHA512 4a001f45695308dd5f296bd2850d5d585c065e6b0f55efca65d91e452d78c85f13fd614eca0176a8d330e14a1c9e8ccbb919c3d4ae995b1945d09dc3ad687195 diff --git a/sci-chemistry/avogadro2/Manifest b/sci-chemistry/avogadro2/Manifest index dae68233edb6..cb54b5425a01 100644 --- a/sci-chemistry/avogadro2/Manifest +++ b/sci-chemistry/avogadro2/Manifest @@ -1,2 +1 @@ -DIST avogadro2-1.90.0_p20180211.tar.gz 1099312 BLAKE2B fbf8e2006c46114632587615b48ac130e45a46ce2859a9c34270714091bc8397d9d7a93c3166bf58833f100e3e40afd1962012e479a8f92ba8ff9078200d51c5 SHA512 db9b0983d2161df493138ddf18c5dbda54cf2f8b75ebc944f1f57dab0f1e2048582362e5f46a78b1610aba080aaac8a66d2b2b71db748e031ffde306d3609856 DIST avogadro2-1.93.0.tar.gz 2905461 BLAKE2B db51e4574fdf2a31657b8bef7b06eb0d563484deaae1a6d75649187d6f5fd7b02a99506cfb850e09792555d7c27d9937d0df0f7172fafc3ddcbccaa7502c5bb6 SHA512 8e4e15b6c2d1935f8c585c83761b28a6397bc1dc22cd5f66464d59dd25327b1cffec809af492586be4b56793448f94f9375c16e8a4c4969f7b8f2591049cc5fc diff --git a/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild b/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild deleted file mode 100644 index 8345cd9619e5..000000000000 --- a/sci-chemistry/avogadro2/avogadro2-1.90.0_p20180211.ebuild +++ /dev/null @@ -1,61 +0,0 @@ -# Copyright 1999-2018 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -MY_PN=avogadroapp -COMMIT=d5e1f827be7e9d1cc6755fd68a2b42b0b1d2ec32 -inherit cmake-utils xdg-utils - -DESCRIPTION="Advanced molecule editor and visualizer 2" -HOMEPAGE="https://www.openchemistry.org/" -SRC_URI="https://github.com/OpenChemistry/${MY_PN}/archive/${COMMIT}.tar.gz -> ${P}.tar.gz" - -SLOT="0" -LICENSE="BSD GPL-2+" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" -IUSE="doc rpc test vtk" - -RDEPEND=" - dev-qt/qtcore:5 - dev-qt/qtgui:5 - dev-qt/qtwidgets:5 - >=sci-libs/avogadrolibs-${PV}[qt5,vtk?] - sci-libs/hdf5:= - rpc? ( sci-chemistry/molequeue ) -" -DEPEND="${DEPEND} - dev-cpp/eigen:3 - test? ( dev-qt/qttest:5 ) -" - -RESTRICT="test" - -S="${WORKDIR}/${MY_PN}-${COMMIT}" - -PATCHES=( "${FILESDIR}/${P}-qt-5.11b3.patch" ) - -src_prepare() { - cmake-utils_src_prepare - sed -e "/LICENSE/d" -i CMakeLists.txt || die -} - -src_configure() { - local mycmakeargs=( - -DBUILD_DOCUMENTATION=$(usex doc) - -DAvogadro_ENABLE_RPC=$(usex rpc) - -DENABLE_TESTING=$(usex test) - -DUSE_VTK=$(usex vtk) - ) - cmake-utils_src_configure -} - -pkg_postinst() { - xdg_mimeinfo_database_update - xdg_desktop_database_update -} - -pkg_postrm() { - xdg_mimeinfo_database_update - xdg_desktop_database_update -} diff --git a/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch b/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch deleted file mode 100644 index 1e7a23f0b54e..000000000000 --- a/sci-chemistry/avogadro2/files/avogadro2-1.90.0_p20180211-qt-5.11b3.patch +++ /dev/null @@ -1,34 +0,0 @@ -From 2c70d9bf7248d8da7691a5830ba6a0972fd9eea7 Mon Sep 17 00:00:00 2001 -From: Andreas Sturmlechner <asturm@gentoo.org> -Date: Tue, 17 Apr 2018 11:57:32 +0200 -Subject: [PATCH] Fix build with Qt 5.11_beta3 (dropping qt5_use_modules) - ---- - avogadro/CMakeLists.txt | 4 ++-- - 1 file changed, 2 insertions(+), 2 deletions(-) - -diff --git a/avogadro/CMakeLists.txt b/avogadro/CMakeLists.txt -index 115b798..f564eb5 100644 ---- a/avogadro/CMakeLists.txt -+++ b/avogadro/CMakeLists.txt -@@ -16,7 +16,7 @@ if(MSVC) - endif() - - # Find the Qt components we need. --find_package(Qt5 COMPONENTS Widgets Network REQUIRED) -+find_package(Qt5 REQUIRED COMPONENTS Concurrent Widgets Network CONFIG) - - configure_file(avogadroappconfig.h.in avogadroappconfig.h) - -@@ -88,7 +88,7 @@ endif() - - add_executable(avogadro WIN32 MACOSX_BUNDLE - ${avogadro_srcs} ${ui_srcs} ${rcc_srcs}) --qt5_use_modules(avogadro Widgets Network Concurrent) -+target_link_libraries(avogadro Qt5::Widgets Qt5::Network Qt5::Concurrent) - if(WIN32) - set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} /NODEFAULTLIB:MSVCRTD") - target_link_libraries(avogadro Qt5::WinMain) --- -2.17.0 - diff --git a/sci-chemistry/bodr/Manifest b/sci-chemistry/bodr/Manifest index b1d812664c55..c8f6a5dd665a 100644 --- a/sci-chemistry/bodr/Manifest +++ b/sci-chemistry/bodr/Manifest @@ -1,2 +1 @@ DIST bodr-10.tar.bz2 225671 BLAKE2B cda3d66da530cb28898389080807c4ed8602bb8871ee9e9ff75ba4a7a40ee676308539adb26d61b3361b53f37c099fa784438def9b768828a941c3693c7315a2 SHA512 a3e0e7195914938d8824127aa4777c4054c302ef7811d82d1e012d9be5d7a13d7f2225d4216f4a30ae7dbf70eb3b0b38571c3ee0dbe1d97af15f04171dd51bec -DIST bodr-9.tar.bz2 210548 BLAKE2B 91efe4e216c0b07378e69739925fe603a091cc29551b85461dc146d8ba5d855bd33f1432cb159a52f2520cbda8c5228b93c90a23497ca6262f705852fc886c92 SHA512 5bcdd682729e11a0bc48f9306262e03fa2a3ca3a805633c2b40d7f94608ce6e2e778cc89ed0c57ec3bf6105c2f759204e158ac6f29c9e6ee3aa37190f8f0d772 diff --git a/sci-chemistry/bodr/bodr-9-r1.ebuild b/sci-chemistry/bodr/bodr-9-r1.ebuild deleted file mode 100644 index 4a8ecabc18c3..000000000000 --- a/sci-chemistry/bodr/bodr-9-r1.ebuild +++ /dev/null @@ -1,26 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -DESCRIPTION="The Blue Obelisk Data Repository listing element and isotope properties" -HOMEPAGE="https://sourceforge.net/projects/bodr" -SRC_URI="mirror://sourceforge/${PN}/${P}.tar.bz2" - -LICENSE="MIT" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~ppc-macos" -IUSE="" - -DEPEND="dev-libs/libxslt" -RDEPEND="" - -DOCS=( "THANKS" "AUTHORS" "README" "ChangeLog" ) - -src_prepare() { - sed -i -e "s/COPYING//g" Makefile.* || die -} - -src_configure() { - econf --docdir="${EPREFIX}"/usr/share/doc/${PF} -} diff --git a/sci-chemistry/chemex/Manifest b/sci-chemistry/chemex/Manifest index ad3606862c8b..1f128ac7b06a 100644 --- a/sci-chemistry/chemex/Manifest +++ b/sci-chemistry/chemex/Manifest @@ -1,2 +1 @@ -DIST chemex-2018.10.2.tar.gz 546575 BLAKE2B c36ae3bc152459844633276ab286b6f750ed5b2538c4289ceb75de9a081ad74fe346a79357fd6fc2f8972722b3520473262c4d623e46d6a4b30395962164a51f SHA512 f8ed017c0881ea9188e150456827e2c6302bdfe546c8058bd0261e43d941fbd1ac9e6abf1621d82107a4f6bd4e9aa4bc70c46e42dc98eabf2dba45a4fa78f77e DIST chemex-2018.10.3.tar.gz 546696 BLAKE2B d283cfb94118686f1974780249641e0ea6f86cdb854c4a256897e361a300a94506813a5035ee2f300fca13263e8452b77e7a0817436cbd620ba16d801a541af7 SHA512 784bd03b354724d6aa52d663c6f661f865d4ef7ca345573bc8aae9ef63e5dbb3e65abba364de3ff441b78adfa588344c718809c5880b3fc70d8ed24be06a0826 diff --git a/sci-chemistry/chemex/chemex-2018.10.2.ebuild b/sci-chemistry/chemex/chemex-2018.10.2.ebuild deleted file mode 100644 index 6bafab54861d..000000000000 --- a/sci-chemistry/chemex/chemex-2018.10.2.ebuild +++ /dev/null @@ -1,47 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 -DISTUTILS_SINGLE_IMPL="yes" -DISTUTILS_USE_SETUPTOOLS=rdepend -PYTHON_COMPAT=( python3_{6,7,8,9,10} ) - -inherit distutils-r1 - -DESCRIPTION="Program to fit chemical exchange induced shift and relaxation data" -HOMEPAGE="https://github.com/gbouvignies/chemex" -SRC_URI="https://github.com/gbouvignies/chemex/archive/${PV}.tar.gz -> ${P}.tar.gz" - -SLOT="0" -LICENSE="BSD" -KEYWORDS="~amd64" -IUSE="test" -RESTRICT="!test? ( test )" - -RDEPEND=" - $(python_gen_cond_dep ' - >=dev-python/asteval-0.9.11[${PYTHON_MULTI_USEDEP}] - >=dev-python/lmfit-0.9.11[${PYTHON_MULTI_USEDEP}] - >=dev-python/matplotlib-1.1[${PYTHON_MULTI_USEDEP}] - dev-python/numpy[${PYTHON_MULTI_USEDEP}] - dev-python/setuptools_scm[${PYTHON_MULTI_USEDEP}] - >=dev-python/scipy-0.11[${PYTHON_MULTI_USEDEP}] - ') -" -DEPEND="${RDEPEND}" - -S="${WORKDIR}/ChemEx-${PV}" - -PATCHES=( - # https://github.com/gbouvignies/ChemEx/issues/44 - "${FILESDIR}"/${P}-tests-package.patch -) - -src_prepare() { - export SETUPTOOLS_SCM_PRETEND_VERSION="${PV}" - distutils-r1_src_prepare -} - -python_test() { - py.test -v -v || die -} diff --git a/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch b/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch deleted file mode 100644 index d743c969a925..000000000000 --- a/sci-chemistry/chemex/files/chemex-2018.10.2-tests-package.patch +++ /dev/null @@ -1,11 +0,0 @@ ---- a/setup.py~ 2019-03-12 21:45:04.000000000 +0100 -+++ b/setup.py 2020-06-07 11:36:28.052241913 +0200 -@@ -21,7 +21,7 @@ - "Programming Language :: Python :: 3.7", - ], - keywords="nmr protein dynamics chemical exchange cpmg cest relaxation data fitting", -- packages=find_packages(), -+ packages=find_packages(exclude=['tests']), - install_requires=[ - "numpy>=1.0", - "scipy>=1.0", diff --git a/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild b/sci-chemistry/gmxapi/gmxapi-0.0.7.1-r1.ebuild index 6d7cde9e4b73..860c0698a610 100644 --- a/sci-chemistry/gmxapi/gmxapi-0.0.7.1.ebuild +++ b/sci-chemistry/gmxapi/gmxapi-0.0.7.1-r1.ebuild @@ -1,4 +1,4 @@ -# Copyright 2019-2020 Gentoo Authors +# Copyright 2019-2021 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 @@ -25,7 +25,6 @@ DEPEND=" >=sci-chemistry/gromacs-2019:=" RDEPEND=" ${DEPEND} - sci-libs/scikits[${PYTHON_USEDEP}] dev-python/networkx[${PYTHON_USEDEP}] " BDEPEND="" diff --git a/sci-chemistry/pymol/pymol-2.4.0.ebuild b/sci-chemistry/pymol/pymol-2.4.0.ebuild deleted file mode 100644 index 00518111a8eb..000000000000 --- a/sci-chemistry/pymol/pymol-2.4.0.ebuild +++ /dev/null @@ -1,115 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -PYTHON_COMPAT=( python3_{6,7,8,9,10} ) -DISTUTILS_USE_SETUPTOOLS=no - -inherit distutils-r1 desktop optfeature flag-o-matic xdg-utils - -DESCRIPTION="A Python-extensible molecular graphics system" -HOMEPAGE="https://www.pymol.org/" -SRC_URI=" - https://dev.gentoo.org/~jlec/distfiles/${PN}-1.8.4.0.png.xz - https://github.com/schrodinger/pymol-open-source/archive/v${PV}.tar.gz -> ${P}.tar.gz - " -RESTRICT="mirror" -LICENSE="PSF-2.2" -SLOT="0" -KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux ~x64-macos" -IUSE="web" - -DEPEND=" - dev-libs/msgpack[cxx] - dev-libs/mmtf-cpp - dev-python/pyopengl[${PYTHON_USEDEP}] - dev-python/PyQt5[opengl,${PYTHON_USEDEP}] - dev-python/numpy[${PYTHON_USEDEP}] - dev-python/pmw[${PYTHON_USEDEP}] - media-libs/freetype:2 - media-libs/glew:0= - media-libs/glm - media-libs/libpng:0= - media-video/mpeg-tools - sys-libs/zlib -" -RDEPEND="${DEPEND} - sci-chemistry/chemical-mime-data -" - -S="${WORKDIR}"/${PN}-open-source-${PV} - -python_prepare_all() { - sed \ - -e "s:\"/usr:\"${EPREFIX}/usr:g" \ - -e "/ext_comp_args.*+=/s:\[.*\]$:\[\]:g" \ - -e "/import/s:argparse:argparseX:g" \ - -i setup.py || die - - sed \ - -e "s:/opt/local:${EPREFIX}/usr:g" \ - -e '/ext_comp_args/s:\[.*\]:[]:g' \ - -i setup.py || die - sed \ - -e "s:\['msgpackc'\]:\['msgpack'\]:g" \ - -i setup.py || die - - append-cxxflags -std=c++0x - - distutils-r1_python_prepare_all -} - -python_install() { - distutils-r1_python_install \ - --pymol-path="${EPREFIX}/usr/share/pymol" - - sed \ - -e '1d' \ - -e "/APBS_BINARY_LOCATION/s:None:\"${EPREFIX}/usr/bin/apbs\":g" \ - -e "/APBS_PSIZE_LOCATION/s:None:\"$(python_get_sitedir)/pdb2pqr/src/\":g" \ - -e "/APBS_PDB2PQR_LOCATION/s:None:\"$(python_get_sitedir)/pdb2pqr/\":g" \ - -i "${D}/$(python_get_sitedir)"/pmg_tk/startup/apbs_tools.py || die -} - -python_install_all() { - distutils-r1_python_install_all - - sed \ - -e '1i#!/usr/bin/env python' \ - "${D}/$(python_get_sitedir)"/pymol/__init__.py > "${T}"/${PN} || die - - python_foreach_impl python_doscript "${T}"/${PN} - - # These environment variables should not go in the wrapper script, or else - # it will be impossible to use the PyMOL libraries from Python. - cat >> "${T}"/20pymol <<- EOF || die - PYMOL_PATH="${EPREFIX}/usr/share/pymol" - PYMOL_DATA="${EPREFIX}/usr/share/pymol/data" - PYMOL_SCRIPTS="${EPREFIX}/usr/share/pymol/scripts" - EOF - - doenvd "${T}"/20pymol - - newicon "${WORKDIR}"/${PN}-1.8.4.0.png ${PN}.png - make_desktop_entry ${PN} PyMol ${PN} \ - "Graphics;Education;Science;Chemistry;" \ - "MimeType=chemical/x-pdb;chemical/x-mdl-molfile;chemical/x-mol2;chemical/seq-aa-fasta;chemical/seq-na-fasta;chemical/x-xyz;chemical/x-mdl-sdf;" - - if ! use web; then - rm -rf "${D}/$(python_get_sitedir)/web" || die - fi - - rm -f "${ED}"/usr/share/${PN}/LICENSE || die -} - -pkg_postinst() { - xdg_desktop_database_update - xdg_mimeinfo_database_update - optfeature "Electrostatic calculations" sci-chemistry/apbs sci-chemistry/pdb2pqr -} - -pkg_postrm() { - xdg_desktop_database_update - xdg_mimeinfo_database_update -} diff --git a/sci-chemistry/votca-csg/Manifest b/sci-chemistry/votca-csg/Manifest index 373cbaa92f2b..cad8d248e112 100644 --- a/sci-chemistry/votca-csg/Manifest +++ b/sci-chemistry/votca-csg/Manifest @@ -1,30 +1,9 @@ -DIST votca-csg-1.4.1.tar.gz 347702 BLAKE2B 8c98804bafd75148fa72a9e119d4448ab9b04fb6f305e1e162a18013871d03778873a50670ce06bb218fc063f51ad67efc4a182c2d7bb46f91b59e30181b71d6 SHA512 87f2798c9b5f2d82ae1c158238f7a3b7007c7ceb7ce82503f0b002f605f2cc0b5ca4c8ef24fab571efae63a81e7a60bc476b5433962c239de4f5d42bae3c10ea -DIST votca-csg-1.4.tar.gz 346527 BLAKE2B 8f0a41f9aa9fd865e2e544d5fd587d93d631edc2dabab8edfc3461582da2e0401a266a42be1c0f1e6647502cdcccee55b5bba891aa156394012b8b5e1b06f7e8 SHA512 26318644c7af2dfa1b81242b27ffac98f2180c3a1f05581bc50a00f644cec4b19ffbaf41c9d941a4714171b56ae93fe41f1a663cd0593ae2b0be2da379119d9b DIST votca-csg-1.5.1.tar.gz 708319 BLAKE2B 2ea75cf08dc3005bd08ebe85113d95743fe85bae4b7ac3c2e2d9b64be64a7103ecf30b9edf45cffa86b7588d5c57a0256aef02f4590fa6031cb63881480bd0fd SHA512 3559452182c325d5df72918ec6e12122c8214df9733d779c123ff199597fe47fc493fd75adf1f5dbc6b55016373863378ba3cc69fb6b61bc1531c6e591d8131c -DIST votca-csg-1.5.tar.gz 429164 BLAKE2B da04bd9ce8e879e9a961006256e03d160fa49fe77aa2f1eff0986b338296b04137bb087ecfabb7f2fc855b0ccd83dc4ddddfd65c43303bf5f2eef0519d27b0ec SHA512 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/dev/null @@ -1,113 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - ) - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use doc; then - EGIT_REPO_URI="https://github.com/${PN/-//}-manual.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN}-manual"\ - git-r3_src_unpack - fi - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DWITH_H5MD=$(usex hdf5) - -DWITH_RC_FILES=OFF - -DLIB=$(get_libdir) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - newbashcomp scripts/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - if [[ ${PV} = *9999* ]]; then - #we need to do that here, because we need an installed version of csg to build the manual - [[ ${CHOST} = *-darwin* ]] && \ - emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" \ - || emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" LD_LIBRARY_PATH="${LD_LIBRARY_PATH}${LD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" - newdoc "${WORKDIR}/${PN}"-manual/manual.pdf "${PN}-manual-${PV}.pdf" - else - dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild b/sci-chemistry/votca-csg/votca-csg-1.4.ebuild deleted file mode 100644 index b311e0ee4fd5..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.4.ebuild +++ /dev/null @@ -1,113 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="amd64 x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64 x86" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - gromacs? ( <sci-chemistry/gromacs-2019_beta1:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - ) - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use doc; then - EGIT_REPO_URI="https://github.com/${PN/-//}-manual.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN}-manual"\ - git-r3_src_unpack - fi - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DWITH_H5MD=$(usex hdf5) - -DWITH_RC_FILES=OFF - -DLIB=$(get_libdir) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - newbashcomp scripts/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - if [[ ${PV} = *9999* ]]; then - #we need to do that here, because we need an installed version of csg to build the manual - [[ ${CHOST} = *-darwin* ]] && \ - emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" DYLD_LIBRARY_PATH="${DYLD_LIBRARY_PATH}${DYLD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" \ - || emake -C "${WORKDIR}/${PN}"-manual PATH="${PATH}${PATH:+:}${ED}/usr/bin" LD_LIBRARY_PATH="${LD_LIBRARY_PATH}${LD_LIBRARY_PATH:+:}${ED}/usr/$(get_libdir)" - newdoc "${WORKDIR}/${PN}"-manual/manual.pdf "${PN}-manual-${PV}.pdf" - else - dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild b/sci-chemistry/votca-csg/votca-csg-1.5.ebuild deleted file mode 100644 index fc50a8f0f535..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.5.ebuild +++ /dev/null @@ -1,100 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64" - PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - gromacs? ( <sci-chemistry/gromacs-2020:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - ) - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') - -DWITH_RC_FILES=OFF - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - newbashcomp scripts/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild deleted file mode 100644 index 1c3f1e12a40e..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.6.1.ebuild +++ /dev/null @@ -1,92 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" - PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - gromacs? ( sci-chemistry/gromacs:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') - -DWITH_RC_FILES=OFF - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild deleted file mode 100644 index 7ec1400e8b89..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.6.2.ebuild +++ /dev/null @@ -1,92 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" - PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - gromacs? ( sci-chemistry/gromacs:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') - -DWITH_RC_FILES=OFF - ) - cmake_src_configure -} - -src_install() { - cmake_src_install - newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild deleted file mode 100644 index 7ec1400e8b89..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.6.3.ebuild +++ /dev/null @@ -1,92 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" - PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - gromacs? ( sci-chemistry/gromacs:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') - -DWITH_RC_FILES=OFF - ) - cmake_src_configure -} - -src_install() { - cmake_src_install - newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild b/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild deleted file mode 100644 index b94e5b7b74e9..000000000000 --- a/sci-chemistry/votca-csg/votca-csg-1.6_rc1.ebuild +++ /dev/null @@ -1,92 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc examples extras +gromacs hdf5" -PDEPEND="extras? ( ~sci-chemistry/${PN}apps-${PV} )" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}-manual/releases/download/v${PV}/${PN}-manual-${PV}.pdf ) - examples? ( https://github.com/${PN/-//}-tutorials/archive/v${PV}.tar.gz -> ${PN}-tutorials-${PV}.tar.gz )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" - PDEPEND="${PDEPEND} doc? ( ~app-doc/${PN}-manual-${PV} )" -fi - -DESCRIPTION="Votca coarse-graining engine" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - gromacs? ( sci-chemistry/gromacs:= ) - hdf5? ( sci-libs/hdf5 ) - dev-lang/perl - app-shells/bash:*" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_unpack() { - if [[ ${PV} != *9999 ]]; then - default - else - git-r3_src_unpack - if use examples; then - EGIT_REPO_URI="https://github.com/${PN/-//}-tutorials.git" - EGIT_BRANCH="master" - EGIT_CHECKOUT_DIR="${WORKDIR}/${PN#votca-}-tutorials"\ - git-r3_src_unpack - fi - fi -} - -src_configure() { - mycmakeargs=( - -DWITH_GMX=$(usex gromacs) - -DCMAKE_DISABLE_FIND_PACKAGE_HDF5=$(usex '!hdf5') - -DWITH_RC_FILES=OFF - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - newbashcomp "${ED}"/usr/share/votca/rc/csg-completion.bash csg_call - for i in "${ED}"/usr/bin/csg_*; do - [[ ${i} = *csg_call ]] && continue - bashcomp_alias csg_call "${i##*/}" - done - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - if use examples; then - insinto "/usr/share/doc/${PF}/tutorials" - docompress -x "/usr/share/doc/${PF}/tutorials" - rm -rf "${WORKDIR}/${PN#votca-}"-tutorials*/CMake* - doins -r "${WORKDIR}/${PN#votca-}"-tutorials*/* - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca-csgapps/Manifest b/sci-chemistry/votca-csgapps/Manifest index aa8c16ad7a9d..3db30f3005fd 100644 --- a/sci-chemistry/votca-csgapps/Manifest +++ b/sci-chemistry/votca-csgapps/Manifest @@ -1,10 +1,3 @@ -DIST votca-csgapps-1.4.1.tar.gz 21066 BLAKE2B 8e1d25957b7c62d2182872de4d0c50c90fefdf699ec5e9e785916791e9cc06db2dbcbbdbaf7afe6921e34179e12dfa2326eb9464261801e48177ec69126ae2bb SHA512 80881ac173b56b07825c484f98c598de8d74bb8a54b888f06cc3a20d15670b49059e50adc210308e21ee4ea9038cf564c08d7ab33c4a43864acb1de97bc3fcef -DIST votca-csgapps-1.4.tar.gz 21072 BLAKE2B 30c2f6692544741bfbec09efea2f68ae48cd4716e61e40d3da12a17ad941f2947cc6a8477229b80e420e217a95adff4152a07215e2e913e71736b61ba1ac226a SHA512 325c99606f17d7bb00e2cc3b1545f31dd4cf1fbc0d216f2da2c48e06b2011c9f99096643a6c6efd794a169de056f803f791c156afec4a73e41c58bc4ca1055f9 DIST votca-csgapps-1.5.1.tar.gz 26006 BLAKE2B 8651978c15087fc7332fe229cfc33d8c4257faf46d72f7ac5fbaaf5f31133c4df3d97cae2b18730b5700e742c27e3db39696fdfe910ed884952ba0f832220c3d SHA512 4f83a46f16eb0a4cb9acc6c0d9523fa746dcf670107355c95fc02daa6ca91fb4f8d5e48bc920d8c13a9445390a25415f7217979903ea86f890df1d4704944c28 -DIST votca-csgapps-1.5.tar.gz 25975 BLAKE2B 185e759d658c6f763da2d26770766ec8ee05017b4c6a67e13915de04fbf2ecf268f2f800c5e18ef0f38c615340b0db163e886dc98a9395a69359f94dc8773f60 SHA512 20dda9d07ef2f33c9decff2766ece8f24cf2562993b4dfb7dd637d84325b835a6ecd30d34c5cfb9c428dbf72c2b5dfe9fd49d266182704b981db151c3c4ea2e4 -DIST votca-csgapps-1.6.1.tar.gz 20128 BLAKE2B 509f684b84e7ebb718fbcf5b48adc732dc8c6b9f6478269e243dda3c980a5d91a46208863ac6227a07d90f6e2ea4e5cf2b50a7b34b6dbe2567d9a95ede4ee1de SHA512 06e396c20990f7bb22ae8c888a36585b40a61280aa53a521c01128bbaadc1f449f85d4f41380ee3ce290defb64eca285be7dde1cd888f4cb69805695511a5b90 -DIST votca-csgapps-1.6.2.tar.gz 19549 BLAKE2B 8aad4ff143a2073b4d17a4af0766898882ed011be4de814b6dca3cb4c1776fbee925fb4fef4ba1fd20d3aa3097440caeaab7fddb68b35322b5123868e7e2fbea SHA512 f88f8ea41773b846ed7b3b910ad81c58a6dc1aabea5ae8ead030709c095e229b29443213854d358b4fa6518d8373b9a2acab741be2bbc33fec22d8f267f6cfe3 -DIST votca-csgapps-1.6.3.tar.gz 19588 BLAKE2B 2de9490325832cbd0611cc97c7fff9594d1bff281da22ea8f7e5f054361d50dfc38145a627042ef24e91ba9c37de62b6f9efcdd8bd170ee6c0190802fdbce57e SHA512 02215966ef9ea57089e9694cf0a1560f7a62e25dacbce80fea848e9d3d54a26be6174e6b4fe24ba7a6a13b675c0bdb5f407a7c30fc58a6b9c4bd826eb522f0b8 DIST votca-csgapps-1.6.4.tar.gz 19589 BLAKE2B 90a20c3acef3254b412697dbb543c216d4546241c2f98d8b1e6c7fbd2de5dc5268965f1035843c6832579158843069c610ebbf3363d2e604a1c7c3dc82e3d8d2 SHA512 89ea658092e979c90b9f3d75a8dd9f8ec95278c26fafb30c31a23581dcd7a65e52c8c7696ef14da5821e283d16ab96880041b7b20c9097f99b2fc1eac4a38184 DIST votca-csgapps-1.6.tar.gz 20130 BLAKE2B 0c34fba42a70f756043aae89f51b94cc0a9c9a85680ed78c56b4c05f834d94c74aff59e4adf6155e5fab81d057da58ec420d843532af57beeaa6e81f82432d92 SHA512 5a85abaf6b09a225604f33f2e0cfb774525159e9bce89efd7ebfc0c9c37342e472503ff51c3065be2a4b87e95671f55164c630477f404f94b0510a83e262352f -DIST votca-csgapps-1.6_rc1.tar.gz 20138 BLAKE2B 9374911f761fd78f01721e8e10f3b9c14f2ba894735735e4d09f5e29eb1d1b69f4fa081699d7a93abfad2ebe55d6439edbb6db547618e6d2cfbaf7bbc8a79ca8 SHA512 153bd6e537175c9908739c60ce80830ebf57c0686f11b21fc541995cb5355d4a3f7f7ee7d1707bb85f5fc859bf260a3a167450175ffe8feb92044e8018be996b diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild deleted file mode 100644 index 3ac9e4680b71..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.1.ebuild +++ /dev/null @@ -1,31 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND="~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild deleted file mode 100644 index 019c2b770413..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.4.ebuild +++ /dev/null @@ -1,31 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="amd64 x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64 x86" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND="~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild deleted file mode 100644 index 0f20a2595bed..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.5.ebuild +++ /dev/null @@ -1,33 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND=" - >=dev-cpp/eigen-3.3 - ~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild deleted file mode 100644 index 9459e7c2c99e..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.1.ebuild +++ /dev/null @@ -1,33 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND=" - >=dev-cpp/eigen-3.3 - ~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README.md ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild deleted file mode 100644 index 888fae9a8cda..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.2.ebuild +++ /dev/null @@ -1,33 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND=" - >=dev-cpp/eigen-3.3 - ~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README.md ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild deleted file mode 100644 index 888fae9a8cda..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6.3.ebuild +++ /dev/null @@ -1,33 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND=" - >=dev-cpp/eigen-3.3 - ~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README.md ) diff --git a/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild b/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild deleted file mode 100644 index 4694735c5bb7..000000000000 --- a/sci-chemistry/votca-csgapps/votca-csgapps-1.6_rc1.ebuild +++ /dev/null @@ -1,33 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils - -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Extra applications for votca-csg" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="" - -RDEPEND=" - >=dev-cpp/eigen-3.3 - ~sci-chemistry/${PN%apps}-${PV}" - -DEPEND="${RDEPEND}" - -DOCS=( README.md ) diff --git a/sci-chemistry/votca-ctp/Manifest b/sci-chemistry/votca-ctp/Manifest index 9c5c7ef28f0f..edb307902792 100644 --- a/sci-chemistry/votca-ctp/Manifest +++ b/sci-chemistry/votca-ctp/Manifest @@ -1,4 +1,2 @@ DIST votca-ctp-1.5.1.tar.gz 1345994 BLAKE2B 6e927c5d57abfff335412bdac085c9dd81696503310e58a89bf2207b07f9d9900d11d20176a11fbde6d6cdfa97f50faa5e877889e35201ad9ed5dd93dbc158cb SHA512 686d7193cdd6a763197dd4f332554c9c6c2022c539191d0a243e70450aa2a4c7048fff3c06636aee09525516fb3717fe49934d5daf2dfcdcbc08be416cc4b6c0 -DIST votca-ctp-1.5.tar.gz 1345419 BLAKE2B 148846b9118cabfa541eb4fe0129e366d0c447e2daf969833beb5df91ca7b43f0262c5845303ccf05ed8d3f9e2c2a5e0f876ec97c2601419ed04a28d56640494 SHA512 bc4dbddcefb473015a6513f44f4fddd5995a8598f82505e81b3c50ae771e64e8c979f39a347ab2deb55054e7efffad28b5ff3f73d2c1b8905bcaf6f007ff2959 DIST votca-ctp-manual-1.5.1.pdf 948647 BLAKE2B 4afec48d0e6bb29dc86d4d22fce74a8d2197d6b7a1ed35a5b09af84c5bbc0fc49b91e045c85e5b5ab79beb5a7de1db78a15e395a1a5faf4c11cc1b58c1ffca97 SHA512 b4ae79b2da0037cc325fdff3b0fd8d142d6bfdad5bc11991cee314f40f105bcdcb1189d17679a84eb37da7a9bb686d0c5ee57c7796a0c6b787b70d53222dbc17 -DIST votca-ctp-manual-1.5.pdf 970539 BLAKE2B 8646215a4c2cd7be6d4c03820f00b8067e15c27f51fb6678540026cff1af0e28dffa528423ad47a4047a8f84fc1078d503a56a4a235e004735f0276ec1a6a33e SHA512 a315c1b4b37461f4f0d30ead1fec2ca33ff23d81c9d5e4d888ef7d7dd722f68f9596826f828f8a76841d6dde6889f623b73d9fe0f8a6c5a7cec1c16a83cf9030 diff --git a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild b/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild deleted file mode 100644 index f75825648473..000000000000 --- a/sci-chemistry/votca-ctp/votca-ctp-1.5.ebuild +++ /dev/null @@ -1,71 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit cmake-utils multilib - -IUSE="doc" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Votca charge transport module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV}[sqlite] - >=dev-cpp/eigen-3.3 - sci-libs/gsl - ~sci-chemistry/votca-csg-${PV}" - -DEPEND="${RDEPEND} - virtual/pkgconfig" - -if [ "${PV}" != "9999" ]; then - DEPEND="${DEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - )" -fi - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_configure() { - [[ ${PV} = *9999* ]] && mycmakeargs=( - -DBUILD_XTP_MANUAL=$(usex doc) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)" - einfo "https://dx.doi.org/10.1021/ct200388s" - einfo -} diff --git a/sci-chemistry/votca-xtp/Manifest b/sci-chemistry/votca-xtp/Manifest index 9c731d37fe5d..c0ed4cb5aacf 100644 --- a/sci-chemistry/votca-xtp/Manifest +++ b/sci-chemistry/votca-xtp/Manifest @@ -1,14 +1,2 @@ -DIST votca-xtp-1.4.1.tar.gz 15214413 BLAKE2B 0f6e67179e2ee1fa8ab79ca0c2d810f9867dab474b50d49316aaed33a01b5cf93a129558792fff2851b8f1b7794ab423c25e4b6f6bce6809520ff40234b14e93 SHA512 1a3f5df3dc9a7f532464ef84ff4f4f8e60b9495529f349ab5e496595e73fff8f4678b8276b2c5733dd3f692ca03220e7d0bc4a82163017572428c0d1dd5f91fd -DIST votca-xtp-1.4.tar.gz 15214266 BLAKE2B 435ba1603495d904ccce20b4fa665d3a1c62fc04005ea89cf83b431240fb78f8a44f09ad619af331802e43ca3d05b20a4c6bbbb0c75360940d4f786c0030fd7a SHA512 ffc32260331862393e199f7ab643b1008ee4f800cd017f175550a079afaa20e5c929cb8599bc0c2a2328253051895de7b979f5fec044243abc680a0dc87a69b9 -DIST votca-xtp-1.5.1.tar.gz 14634849 BLAKE2B 84ee9fc531a530ba276a6fd3eccc78dd25c27346db76871f33fe307dde451956bf091b636dd5594bf3b8b24a727fe7e5a730fb85cd2cbb0e5605705996e69bd2 SHA512 8fb6891e84d4d685e26287344554b705c607e7cb9f497c00ac9cd8328e50210c56706abdb7004b83d4addbfbc7b35c3526b4feabf75f681362b3b7a39c54b668 -DIST votca-xtp-1.5.tar.gz 14637712 BLAKE2B af04de706f0d100968928459a03b6a94a94a211b3f5bd056d123756d40760fb0ada70add429ed5b86e211dbdd3b91aa4cf12e51a260638766d04158e7b5a1201 SHA512 693f34004749edfbabcd0a19dc23b3de3c09858c7c0dfe1e420b92632397971e3687489c1074a489d4d2fd337ddc5749c419869db104c65736e7c01bf12cd140 -DIST votca-xtp-1.6.1.tar.gz 1405246 BLAKE2B b32db1e50ebfd79683ea2bf990293d9dfcf7703f3d95467a3fac5f98ec98e9bf1d29bab079e8f328fab8998144af186e7f47e99d9312763f7d73a1ae364ce58a SHA512 8b1bb235e70c239d0c57ceac65cd384841ea136d61f28bc72cbe2cfb47f9d776d42e06180acd1d8da93d0a0586e0bc3884ed82830d0f31c498ce225ca79a45aa -DIST votca-xtp-1.6.2.tar.gz 1405868 BLAKE2B 4e5700cec41ede632b97904259040aef2b79f9698547bf508584e49ff5cb16ab627c31732136de67bed3f70af9bf890a25bf511e8d9278821107760fc29441b7 SHA512 64610239ef5b902daa4ff475b4fea194912ef2a50e24214fcecf7d63336208a642c5ae5f02b0f21d04a78acaef224ba9a29b06b9380dbd6a43553e704efc54fe -DIST votca-xtp-1.6.3.tar.gz 1405361 BLAKE2B 35b73f754f6485c96624e75db7583559601e286d1a782259266f7a4e210ab21615d8ba6d308975483428091bf58a55b8fc96327543c17f8b5786744560cdf239 SHA512 2de786a10a3776b6a6e187cd1c42b173cb912b1169b6283ccd245fac9b2f03a94235b2ff8a372dee83e33f6669211b1f79573b099ad9775971ece79a88ac990c DIST votca-xtp-1.6.4.tar.gz 1405299 BLAKE2B 9d4e9d3f87e0c6be886df77bf52f9d8c0b4010fb1d77621a51b739986f3f5d70c85637c0d7b4d6a8a06d7dfc7e70ff5491bdc833a1b9da6fe1e8a9742a82d220 SHA512 f35e9605f4ac92547c801b254de792b5c3bf40200e8636869467997412357251df08f88ad851bc76cb0ba15428f06f28dbd4f64043a7612273468c8d653e52af DIST votca-xtp-1.6.tar.gz 1404955 BLAKE2B 1599281ea1cd6b5a93b1d91f69a793af7bb9cd2fbf70157e5d40a5bfc72f973f3d97338f92157c2c482ad041f8afda298282b1f83dda66d0bb189bdc07bb5a23 SHA512 cb99c31fe7f1af53b8ccf50cc9cc304ed5c5b5d1a165e1a72a456c0bbf5ac8bb9263c9eff829acc74be348192afbf80fd4d80a2c20d1dd5d7f909b1b50368670 -DIST votca-xtp-1.6_rc1.tar.gz 13586771 BLAKE2B d5b72a7389b77df0570eac0021870bba3fa66a89b3a2df1e08632b1c1827884d101ef8d972762dae35e44e53e7a9fe9278d3204eec09c35d091ab3427b055be4 SHA512 0b54eddcf944967b1d41f75f4887eba9edc3be18b94d319e93e795a24f58a2877d7f60afd806290eacb41d329d1b1206ebaab83874d6be2d5b026f06dbc19dfd -DIST votca-xtp-manual-1.4.1.pdf 1066873 BLAKE2B 8cbd4b55b013794a19a8b5867b929b8e2d9084e6780d777b2a2bbaea23006f4f4ec5b26bd4a07c59e1c6726f23471eb1756b668636e0c4e656a0807e64197586 SHA512 fdf1147f24785524f5e96020fcd29c32bbeef520eebf6afba32b59d7e777d586c452919478d2734c3f021e558b1147b945cdbc0833402be2b16e5af3a8e37f5f -DIST votca-xtp-manual-1.4.pdf 1064006 BLAKE2B e4f0c20c6d40a5f58b863258cc122e5a7cf376b7138927c0a6bdd400841c330fc013287513258f6f68609e39f0bf39b965fd099171594c5e2730fba82a2488d4 SHA512 96d7f59dbcc3a6efdc297237025217d5a56d2c81e491d90680786ea4769a5ebbea379df3b06c4847307ee30accd7415e316dee4730361262f5aff73d2f5d387e -DIST votca-xtp-manual-1.5.1.pdf 912290 BLAKE2B 4511885f5506f542d639b5c7d2bb2e6f4f24df8d7929959ff707ae9c28c357346ebc7cde072f742309f3ef8a6b00a51d0873071cdc4cbcd291670fca788f46a7 SHA512 b410ddad0566933a2c9ad386fb6f4df0e71b316a84bce8c841e94df8f438959f0967ade63d1146549d453c2ecdb48e3d8b1fd147e53888e1717c6db3d07ba061 -DIST votca-xtp-manual-1.5.pdf 923211 BLAKE2B 5d2c78260365c6339753e1663d707d642dea870183386f799e8fb34517fdb69680293b77356ae00c3ee6b66053c614b7174503e2e752790a56e7dd2976b3cb0a SHA512 86079339de1cb6e3d0487ad816e86deebe6a1bddcac1f06801e3f94eca2e19b30ec61b286f13429e257aa152129f5dbb4bbbc88ac9d58bf1a9aeb1c3f430d3e0 diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild deleted file mode 100644 index 09f72544693a..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.4.1.ebuild +++ /dev/null @@ -1,71 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV}[sqlite] - ~sci-chemistry/votca-csg-${PV}" - -DEPEND="${RDEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - ) - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README NOTICE CHANGELOG.md ) - -src_configure() { - mycmakeargs=( - -DLIB=$(get_libdir) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - if use doc; then - if [[ ${PV} = *9999* ]]; then - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual - newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf" - else - dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)" - einfo "https://dx.doi.org/10.1021/ct200388s" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild deleted file mode 100644 index 502c11703363..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.4.ebuild +++ /dev/null @@ -1,71 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" - KEYWORDS="amd64 x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64 x86" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV}[sqlite] - ~sci-chemistry/votca-csg-${PV}" - -DEPEND="${RDEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - ) - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -DOCS=( README NOTICE CHANGELOG.md ) - -src_configure() { - mycmakeargs=( - -DLIB=$(get_libdir) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - if use doc; then - if [[ ${PV} = *9999* ]]; then - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" manual - newdoc "${S}"/manual/xtp-manual.pdf "${PN}-manual-${PV}.pdf" - else - dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - fi - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-CTP, J. Chem. Theo. Comp. 7, 3335-3345 (2011)" - einfo "https://dx.doi.org/10.1021/ct200388s" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild deleted file mode 100644 index 3620603ff526..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.5.1.ebuild +++ /dev/null @@ -1,73 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV}[sqlite] - >=dev-cpp/eigen-3.3 - ~sci-chemistry/votca-csg-${PV} - sci-libs/ceres-solver - sci-libs/libxc" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -if [ "${PV}" != "9999" ]; then - DEPEND="${DEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - )" -fi - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_configure() { - [[ ${PV} = *9999* ]] && mycmakeargs=( - -DBUILD_XTP_MANUAL=$(usex doc) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild deleted file mode 100644 index ed72e70dab68..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.5.ebuild +++ /dev/null @@ -1,73 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=6 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="doc" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz - doc? ( https://github.com/${PN/-//}/releases/download/v${PV}/${PN}-manual-${PV}.pdf )" - KEYWORDS="amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="amd64" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV}[sqlite] - >=dev-cpp/eigen-3.3 - ~sci-chemistry/votca-csg-${PV} - sci-libs/ceres-solver - sci-libs/libxc" - -DEPEND="${RDEPEND} - >=app-text/txt2tags-2.5 - virtual/pkgconfig" - -if [ "${PV}" != "9999" ]; then - DEPEND="${DEPEND} - doc? ( - app-doc/doxygen[dot] - dev-texlive/texlive-latexextra - virtual/latex-base - dev-tex/pgf - )" -fi - -DOCS=( README.md NOTICE CHANGELOG.md ) - -src_configure() { - [[ ${PV} = *9999* ]] && mycmakeargs=( - -DBUILD_XTP_MANUAL=$(usex doc) - ) - cmake-utils_src_configure -} - -src_install() { - cmake-utils_src_install - if use doc; then - [[ ${PV} != *9999* ]] && dodoc "${DISTDIR}/${PN}-manual-${PV}.pdf" - cmake-utils_src_make -C "${CMAKE_BUILD_DIR}" html - dodoc -r "${CMAKE_BUILD_DIR}"/share/doc/html - fi -} - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild deleted file mode 100644 index 3342d6e808ee..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.6.1.ebuild +++ /dev/null @@ -1,45 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="~amd64 ~x86" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - sci-libs/hdf5[cxx] - ~sci-chemistry/votca-csg-${PV} - sci-libs/libxc" - -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild deleted file mode 100644 index 81c68df8c5dc..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.6.2.ebuild +++ /dev/null @@ -1,45 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake multilib - -IUSE="" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - sci-libs/hdf5[cxx] - ~sci-chemistry/votca-csg-${PV} - sci-libs/libxc" - -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild deleted file mode 100644 index 81c68df8c5dc..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.6.3.ebuild +++ /dev/null @@ -1,45 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake multilib - -IUSE="" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - sci-libs/hdf5[cxx] - ~sci-chemistry/votca-csg-${PV} - sci-libs/libxc" - -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} diff --git a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild b/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild deleted file mode 100644 index 96921aa1cecd..000000000000 --- a/sci-chemistry/votca-xtp/votca-xtp-1.6_rc1.ebuild +++ /dev/null @@ -1,45 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -CMAKE_MAKEFILE_GENERATOR="ninja" - -inherit bash-completion-r1 cmake-utils multilib - -IUSE="" -if [ "${PV}" != "9999" ]; then - SRC_URI="https://github.com/${PN/-//}/archive/v${PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/${P#votca-}" -else - inherit git-r3 - EGIT_REPO_URI="https://github.com/${PN/-//}.git" - KEYWORDS="" -fi - -DESCRIPTION="Votca excitation and charge properties module" -HOMEPAGE="https://www.votca.org" - -LICENSE="Apache-2.0" -SLOT="0" - -RDEPEND=" - ~sci-libs/votca-tools-${PV} - >=dev-cpp/eigen-3.3 - sci-libs/hdf5[cxx] - ~sci-chemistry/votca-csg-${PV} - sci-libs/libxc" - -DEPEND="${RDEPEND} - virtual/pkgconfig" - -DOCS=( README.md NOTICE CHANGELOG.md ) - -pkg_postinst() { - einfo - einfo "Please read and cite:" - einfo "VOTCA-XTP, J. Chem. Theo. Comp. 14, 6353 (2018)" - einfo "https://doi.org/10.1021/acs.jctc.8b00617" - einfo -} |