diff options
Diffstat (limited to 'sci-chemistry/autodock')
| -rw-r--r-- | sci-chemistry/autodock/Manifest | 4 | ||||
| -rw-r--r-- | sci-chemistry/autodock/autodock-4.2.6.ebuild | 68 | ||||
| -rw-r--r-- | sci-chemistry/autodock/files/autodock-4.2.6-buildsystem.patch | 12 |
3 files changed, 48 insertions, 36 deletions
diff --git a/sci-chemistry/autodock/Manifest b/sci-chemistry/autodock/Manifest index 065022beda3e..45cbb04a2703 100644 --- a/sci-chemistry/autodock/Manifest +++ b/sci-chemistry/autodock/Manifest @@ -1,4 +1,4 @@ -AUX autodock-4.2.6-buildsystem.patch 1500 BLAKE2B d295cdc7e46ecad118b7747aa26c97c5d08d54f28fecbb09e1c356fcf1e977164acb57dfa3ecc57fef28e4a37b6d16f9741c1fdb6c8f1c3b3a3b3d9085fd75f6 SHA512 08a7643e2973f2ebdd01c54acb1e3e0802ea3d7a33cbed4c03f58d29c7e13a246418feb4a61088dae18c3ab78db6fd5b3c11f9974dec59fe46dbf7cfbbe98c3a +AUX autodock-4.2.6-buildsystem.patch 1480 BLAKE2B 3f1884ee05e062cb630b43fe3e8ecf6f827ada23d5d3060a5bb3d7e854f7c5e2d2b1f7a476c4effcdcbab4292b33fae093474773a31a6995465d00dbbb721246 SHA512 9c5b05f4831049c2c064358df26124526973110ddd31ffa7930f185694f9258dfce648085a96f05a2173aa61b4cdcda7a6fe170a56160708e031fb248f9e6bbe DIST autodocksuite-4.2.6-src.tar.gz 35438010 BLAKE2B 88e036ecc0492fb83f31b90fd0983ec57d889a61d17249f672a3e30e942f6c329dc2494088a8fc7c5bc39a5bdbb38fb1514f1750c7145374f202a928d477faa9 SHA512 75b8878f948c4f6bc28adb442997192dad0c36bbede2fd698623903cb27b06b4df3ba038bfc70fc13b4bdee864fd2344f0f7208be2020da4e01a00b842b46bbb -EBUILD autodock-4.2.6.ebuild 2202 BLAKE2B f425ab34d6941523d6c8b1c8740b4b8a2aa89b49c965466af77c8dda0cc4ef3d24a9c5a40ad82156497f24f6d3afb341e697838446d96195fd6a990b909160b4 SHA512 516d12bbf27984ecd844bae777c408790f7288b08d025fc618920458181dc57abbe3442b69270c1209afa6ebb45b11e774f60e1721452d790119270157336252 +EBUILD autodock-4.2.6.ebuild 2337 BLAKE2B 3302c9d3690f3faf97ef2265512de2c31b0b83752ed92375ecc822e42125eb50324a97197131b5280c71e1a165d1052f4250d06ed412d0b86034464168e9ef49 SHA512 3f215c0d54059f77da1623a9d5602e81e652d84382b327c3deee86f8cdb2d5392476d62288452881977f1582fa36474c648e7e519b5cf7fd7d1a926778697941 MISC metadata.xml 271 BLAKE2B a446884cbe7a6789e0bcd82759f57bf1ab7b29c5ab714057ffa821c90f799d1fa9f9310c187ee4c3a8ae2476f6ea9d15f368045779f1581e68d02802c61c884c SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 diff --git a/sci-chemistry/autodock/autodock-4.2.6.ebuild b/sci-chemistry/autodock/autodock-4.2.6.ebuild index 6cfe76fbbfd0..b4dce2e439b4 100644 --- a/sci-chemistry/autodock/autodock-4.2.6.ebuild +++ b/sci-chemistry/autodock/autodock-4.2.6.ebuild @@ -1,38 +1,56 @@ -# Copyright 1999-2019 Gentoo Authors +# Copyright 1999-2020 Gentoo Authors # Distributed under the terms of the GNU General Public License v2 -EAPI=5 +EAPI=7 -PYTHON_COMPAT=( python2_7 ) +# Tests require python2 +#PYTHON_COMPAT=( python2_7 ) -inherit autotools eutils python-any-r1 versionator +inherit autotools readme.gentoo-r1 #python-any-r1 MY_PN="autodocksuite" MY_P="${MY_PN}-${PV}" DESCRIPTION="A suite of automated docking tools" HOMEPAGE="http://autodock.scripps.edu/" -SRC_URI="http://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(delete_all_version_separators)/${MY_P}-src.tar.gz" +SRC_URI="http://autodock.scripps.edu/downloads/autodock-registration/tars/dist$(ver_rs 1- '')/${MY_P}-src.tar.gz" LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" -IUSE="examples openmp test" -RESTRICT="!test? ( test )" + +IUSE="examples openmp" #test +#RESTRICT="!test? ( test )" + +# False positives caused by nested configure scripts +QA_CONFIGURE_OPTIONS=".*" RDEPEND="" -DEPEND="test? ( ${PYTHON_DEPS} )" +DEPEND="" +#DEPEND="test? ( ${PYTHON_DEPS} )" S="${WORKDIR}/src" +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 ) src_prepare() { - local i + default - epatch "${PATCHES[@]}" + local i sed \ -e "s/\tcsh/\tsh/" \ @@ -58,15 +76,15 @@ src_compile() { emake -C autogrid } -src_test() { - elog "Testing autodock" - cd "${S}/autodock/Tests" || die - cp ../*.dat . || die - ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." - einfo "Testing autogrid" - cd "${S}/autogrid/Tests" || die - ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." -} +#src_test() { +# elog "Testing autodock" +# cd "${S}/autodock/Tests" || die +# cp ../*.dat . || die +# ${EPYTHON} test_autodock4.py || die "AutoDock tests failed." +# einfo "Testing autogrid" +# cd "${S}/autogrid/Tests" || die +# ${EPYTHON} test_autogrid4.py || die "AutoGrid tests failed." +#} src_install() { if use openmp; then @@ -79,7 +97,7 @@ src_install() { insinto /usr/share/${PN} doins -r \ autodock/{AD4_parameters.dat,AD4_PARM99.dat} \ - $(usex examples "autodoc/EXAMPLES" "") + $(usex examples "autodock/EXAMPLES" "") DOCS=( RELEASENOTES @@ -88,15 +106,9 @@ src_install() { autodock/USERGUIDES/AutoDock4.2_UserGuide.pdf ) einstalldocs + readme.gentoo_create_doc } pkg_postinst() { - elog "The AutoDock development team requests all users to fill out the" - elog "registration form at:" - echo - elog "\thttp://autodock.scripps.edu/downloads/autodock-registration" - echo - elog "The number of unique users of AutoDock is used by Prof. Arthur J." - elog "Olson and the Scripps Research Institude to support grant" - elog "applications." + readme.gentoo_print_elog } diff --git a/sci-chemistry/autodock/files/autodock-4.2.6-buildsystem.patch b/sci-chemistry/autodock/files/autodock-4.2.6-buildsystem.patch index ae44ffeb3159..443dfcd868ce 100644 --- a/sci-chemistry/autodock/files/autodock-4.2.6-buildsystem.patch +++ b/sci-chemistry/autodock/files/autodock-4.2.6-buildsystem.patch @@ -1,11 +1,11 @@ - src/autodock/Makefile.am | 6 +++--- - src/autogrid/Makefile.am | 4 ++-- + a/autodock/Makefile.am | 6 +++--- + b/autogrid/Makefile.am | 4 ++-- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/autodock/Makefile.am b/src/autodock/Makefile.am index 799a3c4..911897b 100644 ---- a/src/autodock/Makefile.am -+++ b/src/autodock/Makefile.am +--- a/autodock/Makefile.am ++++ b/autodock/Makefile.am @@ -459,7 +459,8 @@ endif BUILT_SOURCES = $(autodock4_SOURCES) default_parameters.h @@ -28,8 +28,8 @@ index 799a3c4..911897b 100644 diff --git a/src/autogrid/Makefile.am b/src/autogrid/Makefile.am index b531099..b78b380 100644 ---- a/src/autogrid/Makefile.am -+++ b/src/autogrid/Makefile.am +--- a/autogrid/Makefile.am ++++ b/autogrid/Makefile.am @@ -94,9 +94,9 @@ autogrid4_SOURCES = main.cpp \ BUILT_SOURCES = default_parameters.h |