diff --git a/sci-biology/cmdock/Manifest b/sci-biology/cmdock/Manifest index cac8acdf05..92078ebaa4 100644 --- a/sci-biology/cmdock/Manifest +++ b/sci-biology/cmdock/Manifest @@ -1,2 +1 @@ -DIST cmdock-v0.1.3.tar.gz 13416412 BLAKE2B abd6382943fb2ca2459fa493f8025e335821b96a95b88267dd493c28cd3280481b41ec6480fd3514cff126ab1077e89f075e5311393b1cd366403419e9c47454 SHA512 d941b672d14bad4fda4eaeb7aa313da1ade213241a1aee392747943a03afb6c66b3e93b8fd7eb9b1d8095b0632bd48cb062879cf445e3b54ce07069ad3087b22 DIST cmdock-v0.1.4.tar.gz 14487352 BLAKE2B 3f212d596a12046f9a3b04376ca3e6d67f4391edba6f9c6e1fd372e7c7dbb23727ebd77787f125e57afca16e0cffc9b734dcdc7a83a825c52737218df371cbfd SHA512 6e1a366d82b311da0fdcd99ecf3e10962073453c7fdec9142854d472336f7f918bb76368b52e5904bf30e0aea6b8476a3ab522469daeaef52293ac481741b4bb diff --git a/sci-biology/cmdock/cmdock-0.1.3-r1.ebuild b/sci-biology/cmdock/cmdock-0.1.3-r1.ebuild deleted file mode 100644 index 099977f0ae..0000000000 --- a/sci-biology/cmdock/cmdock-0.1.3-r1.ebuild +++ /dev/null @@ -1,98 +0,0 @@ -# Copyright 2021 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=8 - -PYTHON_COMPAT=( python3_{8..10} pypy3 ) - -BOINC_APP_OPTIONAL="true" - -DOCS_BUILDER="sphinx" -DOCS_AUTODOC=0 -DOCS_DIR="docs" - -inherit python-any-r1 boinc-app docs meson - -DESCRIPTION="Program for docking ligands to proteins and nucleic acids" -HOMEPAGE="https://gitlab.com/Jukic/cmdock https://www.rxdock.org" -SRC_URI="https://gitlab.com/Jukic/${PN}/-/archive/v${PV}/${PN}-v${PV}.tar.gz" -S="${WORKDIR}/${PN}-v${PV}" - -LICENSE="LGPL-3" -SLOT="0/${PV}" -KEYWORDS="~amd64" -IUSE="apidoc boinc" -REQUIRED_USE="apidoc? ( doc )" - -RDEPEND=" - dev-lang/perl - boinc? ( sci-misc/boinc-wrapper ) -" -BDEPEND=" - dev-cpp/eigen:3 - dev-cpp/indicators - >=dev-cpp/pcg-cpp-0.98.1_p20210406-r1 - dev-libs/cxxopts - apidoc? ( app-doc/doxygen ) -" - -DOCS=( INSTALL.md README.md ) - -BOINC_MASTER_URL="https://www.sidock.si/sidock/" -BOINC_INVITATION_CODE="Crunch_4Science" -BOINC_APP_HELPTEXT=\ -"The easiest way to do something useful with this application -is to attach it to SiDock@home BOINC project." - -foreach_wrapper_job() { - sed -i "$1" \ - -e "s:@PREFIX@:${EPREFIX}/opt/${P}:g" || die -} - -src_prepare() { - default - rm -r include/indicators || die -} - -src_configure() { - # very weird directory layout - local emesonargs=( - --prefix="${EPREFIX}/opt/${P}" - ) - meson_src_configure -} - -src_compile() { - meson_src_compile - - # subshell prevents from overriding global - # DOCS_BUILDER and DOCS_OUTDIR - use apidoc && ( - DOCS_BUILDER="doxygen" - DOCS_OUTDIR="${S}/_build/html/api" - docs_compile - ) - docs_compile -} - -src_install() { - meson_src_install - - if use boinc; then - doappinfo "${FILESDIR}"/app_info_${PV}.xml - dowrapper ${PN}-boinc-zcp - - # install a blank file - insinto $(get_project_root) - insopts --owner boinc --group boinc - : newins - docking_out.sd - fi -} - -pkg_postinst() { - use boinc && boinc-app_pkg_postinst -} - -pkg_postrm() { - use boinc && boinc-app_pkg_postrm -} diff --git a/sci-biology/cmdock/files/app_info_0.1.3.xml b/sci-biology/cmdock/files/app_info_0.1.3.xml deleted file mode 100644 index 162ad0c05d..0000000000 --- a/sci-biology/cmdock/files/app_info_0.1.3.xml +++ /dev/null @@ -1,37 +0,0 @@ - - - cmdock-boinc-zcp - CurieMarieDock on BOINC + zipped input, checkpoints and progress bar - - - - cmdock-boinc-zcp_wrapper_0.1.3 - - - - - cmdock-boinc-zcp_job_0.1.3.xml - - - docking_out.sd - - - - cmdock-boinc-zcp - 100 - - cmdock-boinc-zcp_wrapper_0.1.3 - - - - cmdock-boinc-zcp_job_0.1.3.xml - job.xml - - - - docking_out.sd - docking_out.sd - - - - diff --git a/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml b/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml deleted file mode 100644 index 074bb29d44..0000000000 --- a/sci-biology/cmdock/files/cmdock-boinc-zcp_job_0.1.3.xml +++ /dev/null @@ -1,15 +0,0 @@ - - - @PREFIX@/build/cmdock - docking_log - -c -j 1 -r target.prm -p @PREFIX@/data/scripts/dock.prm -f htvs.ptc -i ligands.sdf -o docking_out - docking_out.chk - docking_out.progress - CMDOCK_ROOT=@PREFIX@ - LD_LIBRARY_PATH=@PREFIX@/build:$LD_LIBRARY_PATH - PERL5LIB=@PREFIX@/lib:$PERL5LIB - - - ligands.zip - -