diff options
| author | V3n3RiX <venerix@koprulu.sector> | 2024-03-25 01:00:59 +0000 |
|---|---|---|
| committer | V3n3RiX <venerix@koprulu.sector> | 2024-03-25 01:00:59 +0000 |
| commit | 2808be9288546424bc5e88a39631a6835e6bd388 (patch) | |
| tree | 80c785026b9bcf673fbd94227390082ac8716acf /sci-chemistry | |
| parent | a7689c2abcff4374b84d95fb2df980ec9a566965 (diff) | |
gentoo auto-resync : 25:03:2024 - 01:00:59
Diffstat (limited to 'sci-chemistry')
| -rw-r--r-- | sci-chemistry/Manifest.gz | bin | 9521 -> 9522 bytes | |||
| -rw-r--r-- | sci-chemistry/votca/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/votca/votca-2022.ebuild | 80 |
3 files changed, 0 insertions, 82 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex 45e86ceaaed0..2a59db27639d 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/votca/Manifest b/sci-chemistry/votca/Manifest index 195e3647fe5d..276b82b48ebc 100644 --- a/sci-chemistry/votca/Manifest +++ b/sci-chemistry/votca/Manifest @@ -1,6 +1,4 @@ DIST votca-2022.1.tar.gz 61692029 BLAKE2B c58023098f596d7c6f301e94883df3e442761b8c1009823ef5a07e788fabb2a0fa572326e0d614f8102104ef5dcec89505da1c911bb703126c123d2a25a2031e SHA512 dda5cbf1835440abd1b0b511275e10e5facfa9f133062ae082cca4f5654e4af0be0b574b87c70004c0d07920519927bac5620b89ce073de9985bdf792f0dd21a -DIST votca-2022.tar.gz 61688862 BLAKE2B a6a8d1c34e2cd992d032730b2669c9ac5489b988fc334f730eaf1a40b275cc2fad8b24f03419510fe9fee7b0ad0bedf43f9b22b44ca1ae0178b16c9b255da53c SHA512 ea5b7405872a2c0c8d6b4b86148a605b5e83207f1953f0b7393dabbb106ac785c50b45462f6271fbfad04c0246704a92199943acc65eb30d7f1a0a6d6ee4ab83 EBUILD votca-2022.1.ebuild 1869 BLAKE2B 84dea8201ac139cb8feb443f0d4fb50ca8189eb202e5d2caf0a90ec98ba7906c45f5fc0c283d98f8fb2da4bb2c71dc31f81ccc044c8b49a37f734a976c0b188c SHA512 f7dccdaad60a15f418c0802242d1802f6559f2b58b04200993780d5c04fd54cf1577aa8549547e7764408e8c8fec3197c85e85227634115ca5257af827eb09af -EBUILD votca-2022.ebuild 1869 BLAKE2B 2ee927d81098c0859e39bc196e28147d8cce960ede8890381687bb1bfe01fa7e6bad2131c4f2d55567082a650355d745e12295a5fbd3b1a855a54dac3a27d601 SHA512 8e6349e5894f1841e328d5fa97d58203e104e5840fc903f625eb20d4caee82c718c1999debbf53bf1436d9467cb9b0502b751a3e2a89b946eab608b22471faea EBUILD votca-9999.ebuild 1870 BLAKE2B e5d1e62abd6493e209eb90e47e58bc23064d335f8fe2372b5ec8fd91041ad7aa27209234ecf2973aae6d0dd92e766ba3f3784a6db9ce67f9ce791ec7baf75fcc SHA512 4c4b8f94583a61dc47cb155d5da0c3dc4532199bbe2ff7949ffc96ab4ed0e9879ff1b97738ac886ad3e606d4f52b840faf1c0ce8eb4bde0938375e6e3f6319ea MISC metadata.xml 465 BLAKE2B 3fe0aa7dbb87cfe5ec1b5d1500dccb087f2f582982ab7d41687675f7ad38ce3eae1c12141ab8a020d467114cc7017da64ceaa65a10bb37f55ff3aed3e113378b SHA512 b204a6c45aea2fc428a0e421cfc22a218e59ef4f9cb8e352bdf8983272c9f28baf2beec4650ca65e8fb640d713dbdb39d2f43b1ccfce8329b0c3669e6b4562c8 diff --git a/sci-chemistry/votca/votca-2022.ebuild b/sci-chemistry/votca/votca-2022.ebuild deleted file mode 100644 index 89d10678c31f..000000000000 --- a/sci-chemistry/votca/votca-2022.ebuild +++ /dev/null @@ -1,80 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 -PYTHON_COMPAT=( python3_{9..10} ) - -inherit bash-completion-r1 cmake python-single-r1 - -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-${MY_PV}" -fi - -DESCRIPTION="Versatile Object-oriented Toolkit for Coarse-graining Applications" -HOMEPAGE="https://www.votca.org/" - -LICENSE="Apache-2.0" -SLOT="0" -IUSE="+gromacs test" -REQUIRED_USE="${PYTHON_REQUIRED_USE}" -RESTRICT="!test? ( test )" - -RDEPEND=" - !sci-libs/votca-tools - !sci-chemistry/votca-csg - !sci-chemistry/votca-xtp - ${PYTHON_DEPS} - app-shells/bash:* - >=dev-cpp/eigen-3.3 - dev-libs/boost:= - dev-libs/expat - sci-libs/fftw:3.0= - dev-lang/perl - gromacs? ( sci-chemistry/gromacs:=[gmxapi-legacy(+)] ) - sci-libs/hdf5[cxx] - sci-libs/libxc - sci-libs/libint:2 -" -DEPEND="${RDEPEND}" -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=$(usex test) - -DCMAKE_DISABLE_FIND_PACKAGE_GROMACS=$(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 -} |