From 4cbcc855382a06088e2f016f62cafdbcb7e40665 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Sun, 20 Mar 2022 00:40:44 +0000 Subject: gentoo resync : 20.03.2022 --- sci-chemistry/votca/Manifest | 6 +-- sci-chemistry/votca/votca-2022.ebuild | 14 ++++++- sci-chemistry/votca/votca-2022_rc2.ebuild | 70 ------------------------------- sci-chemistry/votca/votca-9999.ebuild | 16 +++++-- 4 files changed, 27 insertions(+), 79 deletions(-) delete mode 100644 sci-chemistry/votca/votca-2022_rc2.ebuild (limited to 'sci-chemistry/votca') diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest index a6f6a9a3159b..6caa622f20e8 100644 --- a/sci-chemistry/votca/Manifest +++ b/sci-chemistry/votca/Manifest @@ -1,6 +1,4 @@ DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83 -DIST votca-2022_rc2.tar.gz 61692061 BLAKE2B 9fdf016267ff6657bfbbd51c79c2c38cb7064635d26e80b905eeeb8326ca1780f7a9c711802491f3ec7a216dbd53b86fe08da2c969a6a10db110168a02ac0d0f SHA512 3bfd108df7499c21ad290955672ab042b9a11b7a868f0eb49fdbd94365e35ed7ffc8b8b44c9b7dd74b7504b8fd30cc6bacfed443068f2bb3702e272aad26c961 -EBUILD votca-2022.ebuild 1599 BLAKE2B 4cdcad3c29bdd25202f8940d63ec884c7b5dceb00155efe68eb73004828c40f5e05eee63029a9f5b7dcda3483ebd07ce9234beb78ed8003bb118c27ef055b3e2 SHA512 8544844fb8b91afc60e5beb4d4c5e3405356a7e627ceeed3bab2dd628cb883b03823ae53e862fb193188852afdd26a45341d841f0331b9a0a42308526cdff557 -EBUILD votca-2022_rc2.ebuild 1599 BLAKE2B 709252689e526e83d5b9f0933e44d7b83b6d2e02fd3cbae0938630e87c99a83ac2179ccc06d2d2843f7fca039305f6aff4793357ea44ef2f8db9ff2edee87f90 SHA512 9b41346126363598de2174c9e06a4c7550e82dc4ec22f2fcc0a6b8948731831ae871a2b30988dfcd5d3c5ebdd1e6a377946374bc2d3a2b25c6c3a7732b04ac71 -EBUILD votca-9999.ebuild 1599 BLAKE2B 709252689e526e83d5b9f0933e44d7b83b6d2e02fd3cbae0938630e87c99a83ac2179ccc06d2d2843f7fca039305f6aff4793357ea44ef2f8db9ff2edee87f90 SHA512 9b41346126363598de2174c9e06a4c7550e82dc4ec22f2fcc0a6b8948731831ae871a2b30988dfcd5d3c5ebdd1e6a377946374bc2d3a2b25c6c3a7732b04ac71 +EBUILD votca-2022.ebuild 1870 BLAKE2B 2a2da4de25e4f8e78b01c0e35634ebb3d02e6947da2326a0b13cca2ae1eba7039485f1ea53d63ebdd774ed396dbe0bc627748431c143a61843711771b90f22a4 SHA512 ec0618843098687df15bf63a8ac460957565d08a66fc7ae82bbe844eb7dcdb5ddfef50e4cf81deb3af30f30210c866e62ed93d947951375ecd6e4d22a7f4dfeb +EBUILD votca-9999.ebuild 1870 BLAKE2B 2a2da4de25e4f8e78b01c0e35634ebb3d02e6947da2326a0b13cca2ae1eba7039485f1ea53d63ebdd774ed396dbe0bc627748431c143a61843711771b90f22a4 SHA512 ec0618843098687df15bf63a8ac460957565d08a66fc7ae82bbe844eb7dcdb5ddfef50e4cf81deb3af30f30210c866e62ed93d947951375ecd6e4d22a7f4dfeb MISC metadata.xml 579 BLAKE2B fc22a14bfa99c926b2c5b2071a10b6dd78baab670551c817c4c4f2e5e6a2e13c5fa216fe7a2aa455f15fbf1c8ae488a06b99960830a2d4fb6a82a6a0a277e233 SHA512 89a2c88dc5dc5e06ccd4e1830caa58e0d74f93e1742f4658ed27b6f41be3bd6924da47dc70cd7fcdce9837ceac4012dfeca39e8bf19d0451f044568d00743539 diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild index f59f5347f3de..0962e065f91d 100644 --- a/sci-chemistry/votca/votca-2022.ebuild +++ b/sci-chemistry/votca/votca-2022.ebuild @@ -2,8 +2,9 @@ # Distributed under the terms of the GNU General Public License v2 EAPI=7 +PYTHON_COMPAT=( python3_{8..10} ) -inherit bash-completion-r1 cmake +inherit bash-completion-r1 cmake python-single-r1 if [[ ${PV} == *9999 ]]; then inherit git-r3 @@ -25,19 +26,21 @@ HOMEPAGE="https://www.votca.org/" LICENSE="Apache-2.0" SLOT="0" IUSE="+gromacs test" +REQUIRED_USE="${PYTHON_REQUIRED_USE}" RESTRICT="!test? ( test )" RDEPEND=" !sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp + ${PYTHON_DEPS} app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 @@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig" DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) +src_prepare() { + # espressopp was removed from gentoo + rm -r ./csg-tutorials/spce/ibi_espressopp || die + python_fix_shebang . + cmake_src_prepare +} + src_configure() { local mycmakeargs=( -DENABLE_TESTING=$(usex test) diff --git a/sci-chemistry/votca/votca-2022_rc2.ebuild b/sci-chemistry/votca/votca-2022_rc2.ebuild deleted file mode 100644 index 6a1ae090460b..000000000000 --- a/sci-chemistry/votca/votca-2022_rc2.ebuild +++ /dev/null @@ -1,70 +0,0 @@ -# Copyright 1999-2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -inherit bash-completion-r1 cmake - -if [[ ${PV} == *9999 ]]; then - inherit git-r3 - EGIT_REPO_URI="https://github.com/votca/votca.git" -else - if [[ ${PV} = *_rc[1-9] ]]; then - MY_PV="${PV%%_rc*}-rc.${PV##*_rc}" - else - MY_PV="${PV}" - fi - SRC_URI="https://github.com/votca/votca/archive/v${MY_PV}.tar.gz -> ${P}.tar.gz" - KEYWORDS="~amd64 ~x86 ~amd64-linux" - S="${WORKDIR}/votca-${MY_PV}" -fi - -DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications" -HOMEPAGE="https://www.votca.org/" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="+gromacs test" -RESTRICT="!test? ( test )" - -RDEPEND=" - !sci-libs/votca-tools - !sci-chemistry/votca-csg - !sci-chemistry/votca-xtp - app-shells/bash:* - >=dev-cpp/eigen-3.3 - dev-libs/boost:= - dev-libs/expat - sci-libs/fftw:3.0= - dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) - sci-libs/hdf5[cxx] - sci-libs/libxc - sci-libs/libint:2 -" -DEPEND="${RDEPEND}" -BDEPEND="virtual/pkgconfig" - -DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) - -src_configure() { - local mycmakeargs=( - -DENABLE_TESTING=$(usex test) - -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(usex !gromacs) - -DBUILD_CSGAPPS=ON - -DINSTALL_RC_FILES=OFF - -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON - ) - cmake_src_configure -} - -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 - einfo "VOTCA, J. Chem. Theory Comput. 5, 3211 (2009). " - einfo "https://dx.doi.org/10.1021/ct900369w" - einfo -} diff --git a/sci-chemistry/votca/votca-9999.ebuild b/sci-chemistry/votca/votca-9999.ebuild index 6a1ae090460b..0962e065f91d 100644 --- a/sci-chemistry/votca/votca-9999.ebuild +++ b/sci-chemistry/votca/votca-9999.ebuild @@ -1,9 +1,10 @@ -# Copyright 1999-2021 Gentoo Authors +# Copyright 1999-2022 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 EAPI=7 +PYTHON_COMPAT=( python3_{8..10} ) -inherit bash-completion-r1 cmake +inherit bash-completion-r1 cmake python-single-r1 if [[ ${PV} == *9999 ]]; then inherit git-r3 @@ -25,19 +26,21 @@ HOMEPAGE="https://www.votca.org/" LICENSE="Apache-2.0" SLOT="0" IUSE="+gromacs test" +REQUIRED_USE="${PYTHON_REQUIRED_USE}" RESTRICT="!test? ( test )" RDEPEND=" !sci-libs/votca-tools !sci-chemistry/votca-csg !sci-chemistry/votca-xtp + ${PYTHON_DEPS} app-shells/bash:* >=dev-cpp/eigen-3.3 dev-libs/boost:= dev-libs/expat sci-libs/fftw:3.0= dev-lang/perl - gromacs? ( sci-chemistry/gromacs:= ) + gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) sci-libs/hdf5[cxx] sci-libs/libxc sci-libs/libint:2 @@ -47,6 +50,13 @@ BDEPEND="virtual/pkgconfig" DOCS=( README.rst NOTICE.rst CHANGELOG.rst ) +src_prepare() { + # espressopp was removed from gentoo + rm -r ./csg-tutorials/spce/ibi_espressopp || die + python_fix_shebang . + cmake_src_prepare +} + src_configure() { local mycmakeargs=( -DENABLE_TESTING=$(usex test) -- cgit v1.2.3