commit: 625bbd317bfb4e8aa225e20bf31271b3ac9b3180 Author: Brahmajit Das <brahmajit.xyz <AT> gmail <DOT> com> AuthorDate: Tue Sep 12 17:07:22 2023 +0000 Commit: Andrew Ammerlaan <andrewammerlaan <AT> gentoo <DOT> org> CommitDate: Thu Sep 14 08:22:11 2023 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=625bbd31
sci-chemistry/autodock: update EAPI 7 -> 8, update HOMEPAGE, SRC_URI Fix C++17 does not allow register storage class Closes: https://bugs.gentoo.org/898130 Signed-off-by: Brahmajit Das <brahmajit.xyz <AT> gmail.com> Closes: https://github.com/gentoo/gentoo/pull/31489 Signed-off-by: Andrew Ammerlaan <andrewammerlaan <AT> gentoo.org> sci-chemistry/autodock/Manifest | 1 + sci-chemistry/autodock/autodock-4.2.6-r1.ebuild | 111 ++++++++++++++++++++++++ 2 files changed, 112 insertions(+) diff --git a/sci-chemistry/autodock/Manifest b/sci-chemistry/autodock/Manifest index 338b56af17cb..8b5de32f0db1 100644 --- a/sci-chemistry/autodock/Manifest +++ b/sci-chemistry/autodock/Manifest @@ -1 +1,2 @@ +DIST autodock-4.2.6-drop-register-keyword.patch 36676 BLAKE2B d91969d9d84b8940ddabf34dc017174deb1dafe0867f9ff5d2e528c4f3b4086b285f299220caa9406139146d460c2fba529e8b85c4aee927cabbdf34e91d3541 SHA512 39358c1d70f80c0a54066eb9ef600980c993dffaf1f7b7d558d29a4404c00a4d02ba0e871ae538474e452425f79795aad38eb0fca38a2663ccf6a64f57a40933 DIST autodocksuite-4.2.6-src.tar.gz 35438010 BLAKE2B 88e036ecc0492fb83f31b90fd0983ec57d889a61d17249f672a3e30e942f6c329dc2494088a8fc7c5bc39a5bdbb38fb1514f1750c7145374f202a928d477faa9 SHA512 75b8878f948c4f6bc28adb442997192dad0c36bbede2fd698623903cb27b06b4df3ba038bfc70fc13b4bdee864fd2344f0f7208be2020da4e01a00b842b46bbb diff --git a/sci-chemistry/autodock/autodock-4.2.6-r1.ebuild b/sci-chemistry/autodock/autodock-4.2.6-r1.ebuild new file mode 100644 index 000000000000..463c23ee2e01 --- /dev/null +++ b/sci-chemistry/autodock/autodock-4.2.6-r1.ebuild @@ -0,0 +1,111 @@ +# Copyright 1999-2023 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +inherit autotools readme.gentoo-r1 + +MY_PN="autodocksuite" +MY_P="${MY_PN}-${PV}" + +DESCRIPTION="A suite of automated docking tools" +HOMEPAGE="https://autodock.scripps.edu/"; +SRC_URI=" + https://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(ver_rs 1- '')/${MY_P}-src.tar.gz + https://dev.gentoo.org/~andrewammerlaan/${PN}-4.2.6-drop-register-keyword.patch +" +S="${WORKDIR}/src" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="examples openmp" +# Tests require python2 +RESTRICT="test" + +# False positives caused by nested configure scripts +QA_CONFIGURE_OPTIONS=".*" + +DISABLE_AUTOFORMATTING="yes" +DOC_CONTENTS=" +The AutoDock development team requests all users to fill out the +registration form at: + +http://autodock.scripps.edu/downloads/autodock-registration + +The number of unique users of AutoDock is used by Prof. Arthur J. +Olson and the Scripps Research Institude to support grant +applications. +" + +PATCHES=( + "${FILESDIR}"/${P}-buildsystem.patch + "${DISTDIR}"/${PN}-4.2.6-drop-register-keyword.patch +) + +src_prepare() { + default + + local i + + sed \ + -e "s/\tcsh/\tsh/" \ + -i auto{dock,grid}/Makefile.am || die + for i in autodock autogrid; do + pushd $i &>/dev/null + eautoreconf + popd &>/dev/null + done +} + +src_configure() { + local i + for i in autodock autogrid; do + pushd $i &>/dev/null + econf $(use_enable openmp) + popd &>/dev/null + done +} + +src_compile() { + emake -C autodock + emake -C autogrid +} + +# Refer: https://github.com/gentoo/gentoo/pull/31489/files#r1321120609 +#src_test() { +# elog "Testing autodock" +# cd "${S}/autodock/Tests" || die +# cp ../*.dat . || die +# ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." +# einfo "Testing autogrid" +# cd "${S}/autogrid/Tests" || die +# ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." +#} + +src_install() { + if use openmp; then + newbin autodock/autodock4.omp ${PN}4 + dobin autogrid/autogrid4 + else + dobin autodock/autodock4 autogrid/autogrid4 + fi + + insinto /usr/share/${PN} + doins -r \ + autodock/{AD4_parameters.dat,AD4_PARM99.dat} \ + $(usex examples "autodock/EXAMPLES" "") + + DOCS=( + RELEASENOTES + autodock/{AUTHORS,README} + autodock/USERGUIDES/AutoDock4.{0,1,2}_UserGuide.doc + autodock/USERGUIDES/AutoDock4.2_UserGuide.pdf + ) + einstalldocs + readme.gentoo_create_doc +} + +pkg_postinst() { + readme.gentoo_print_elog +}
