diff options
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/Manifest.gz | bin | 8360 -> 8369 bytes | |||
-rw-r--r-- | sci-chemistry/autodock/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/autodock/autodock-4.2.6.ebuild | 106 | ||||
-rw-r--r-- | sci-chemistry/chemtool/Manifest | 1 | ||||
-rw-r--r-- | sci-chemistry/chemtool/chemtool-1.6.14.ebuild | 61 |
5 files changed, 0 insertions, 169 deletions
diff --git a/sci-chemistry/Manifest.gz b/sci-chemistry/Manifest.gz Binary files differindex eb33d3d0cf3a..3c3c21996501 100644 --- a/sci-chemistry/Manifest.gz +++ b/sci-chemistry/Manifest.gz diff --git a/sci-chemistry/autodock/Manifest b/sci-chemistry/autodock/Manifest index 5e95ac1a6e21..aad3430f178b 100644 --- a/sci-chemistry/autodock/Manifest +++ b/sci-chemistry/autodock/Manifest @@ -2,5 +2,4 @@ AUX autodock-4.2.6-buildsystem.patch 1480 BLAKE2B 3f1884ee05e062cb630b43fe3e8ecf 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 EBUILD autodock-4.2.6-r1.ebuild 2415 BLAKE2B f46befed12016a8f794e527251c75bf934e1a88e95e45656de325be8a84ab702260e91ba3066af7a4694b9cb8df8d9735c7e8d2cadc0e89b6fd51cda047f72e7 SHA512 dddc39e0e0edf33cb7e4afccc4d01483ad82e2290887792a4d3f7b618564e627a84730488c95a3fcf83182df9e397647933f8165ed38daf4ca60227f47ef6bc9 -EBUILD autodock-4.2.6.ebuild 2206 BLAKE2B 0e457f425fac2908df23e03bf31865e985b0fdb85bdc2014e10bcbef1a00dbbf957b986eda9e7d9cce443cd9bbb1a8118076f3b7e3990eb02c86c559566c9bb3 SHA512 aef41ca8df16042995b25b6a3a07bb207fae458e60b97ec5d1b6918944540b500d9cf798cda52a8f2e12a2a6e9c5531e4565c03bc49a8e4210df1d96aec56102 MISC metadata.xml 272 BLAKE2B 531e98b72776bbe9126811b70943add0f6f43141b01cb75b17ac2c8d1cfb6a9b349022fd411894d2b8eeb0612a73db10aed4ba71f9624bd6dbd172a05fca2c76 SHA512 04f5575703aaaa95e575460ae3de428d3da173b3b741ab52b4aad31e381fef78b325f49f99622ec26a65024437759ea013fc525bd63ee553003c71afcc40d10c diff --git a/sci-chemistry/autodock/autodock-4.2.6.ebuild b/sci-chemistry/autodock/autodock-4.2.6.ebuild deleted file mode 100644 index ba012304d26e..000000000000 --- a/sci-chemistry/autodock/autodock-4.2.6.ebuild +++ /dev/null @@ -1,106 +0,0 @@ -# Copyright 1999-2023 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -inherit autotools readme.gentoo-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$(ver_rs 1- '')/${MY_P}-src.tar.gz" -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 -) - -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 $(use_enable openmp) - popd &>/dev/null - done -} - -src_compile() { - emake -C autodock - emake -C autogrid -} - -src_test() { - elog "Testing autodock" - cd "${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 -} diff --git a/sci-chemistry/chemtool/Manifest b/sci-chemistry/chemtool/Manifest index f599135d8d1f..b754bad7eb3f 100644 --- a/sci-chemistry/chemtool/Manifest +++ b/sci-chemistry/chemtool/Manifest @@ -4,5 +4,4 @@ AUX chemtool-1.6.14-no-underlinking.patch 2251 BLAKE2B b12f78d61891b877ce64111f4 DIST chemtool-1.6.14.tar.gz 817735 BLAKE2B 065c5069402b5960fc2c9b686a9c0e9954b98c43a1d70385ca56e8407fffbe09fd87023f1f7177140745987c69731766f64a8b8015370ef38593bbcd3f073e64 SHA512 066c83c61aced3134b081767e788143a047889a2fee4b6535c2b0a3166bccc73d75981e1cf35b7bcaa5b8fe2e0227b28693b659decd82f7783cb4082ac6ed2bd DIST chemtool.png 1601 BLAKE2B f443547954baf296b15ae8604b84df0a5a23c3bb92df3c0f6f7e8f1d7b7ae67a90a39b9e0a50a4c5105d1f6de2796caf37d67d7a8e872dc026386486109b185b SHA512 3402a3e096dc0f8a40bced0259992478950e5bddd16281cf6b2c8f819f45964d2fd30644f5d6e81c6d72028d5d298c39621369433670f3733d8940be14044a21 EBUILD chemtool-1.6.14-r1.ebuild 1151 BLAKE2B 1ee011cafea1606416d233a677bd68188505e9f696da8043140dd5c04eaf9b98831184825cf156fcaba6d11b7e6648394d6f3511ec3f8e654800f4adf70e4575 SHA512 0f3d9a64fdc01097316b10e12c8cc8c7c2e73ebf136062994d02ed74233eea3981994060da59a158cec53515159e572dd7becefe6f0cb069b035ed68c9ab4783 -EBUILD chemtool-1.6.14.ebuild 1191 BLAKE2B 0be0de974463132ce63148062cc0a771c17eec4de6125c2039c786fd86975dcd0615186b42c3b6f5a6785f2b8a84269c89c9ad70fd705bbfea5a85b6ffda1da5 SHA512 07ac2328bcb1810bc103ff4f3381e043720e6eef57cdb73f2eb4b62770570d769d4650f5f58e78fea748e571c5ab58303435f39ba7fcdba94b88e5b7b1a3b3eb MISC metadata.xml 336 BLAKE2B 227ec6f8022c7f8d370e7ef00a3074f705a187cca822c100a13c05aa33888d2628a5c78e8cbe79229e992a31ff8c288f59279a21170899ab1c291d65f55f4734 SHA512 fda2f0f92af46b00a52f1185823a332ac62b19131d14d8c45a75a4d38c675807ec5288625ed307abc169484f8a1acd4e6a93d9871cb7a51dff8e93e9a44769d2 diff --git a/sci-chemistry/chemtool/chemtool-1.6.14.ebuild b/sci-chemistry/chemtool/chemtool-1.6.14.ebuild deleted file mode 100644 index 3d2d12c9a70c..000000000000 --- a/sci-chemistry/chemtool/chemtool-1.6.14.ebuild +++ /dev/null @@ -1,61 +0,0 @@ -# Copyright 1999-2020 Gentoo Authors -# Distributed under the terms of the GNU General Public License v2 - -EAPI=7 - -inherit autotools desktop - -DESCRIPTION="A GTK program for drawing organic molecules" -HOMEPAGE="http://ruby.chemie.uni-freiburg.de/~martin/chemtool/" -SRC_URI="http://ruby.chemie.uni-freiburg.de/~martin/chemtool/${P}.tar.gz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~ppc ~x86" -IUSE="emf gnome nls" - -RDEPEND=" - dev-libs/glib:2 - media-gfx/transfig - x11-libs/gtk+:2 - x11-libs/libX11 - x11-libs/pango - emf? ( media-libs/libemf )" -DEPEND="${RDEPEND}" -BDEPEND="virtual/pkgconfig" - -PATCHES=( - "${FILESDIR}"/${P}-no-underlinking.patch - "${FILESDIR}"/${P}-fno-common.patch - "${FILESDIR}"/${P}-fix-tests.patch -) - -src_prepare() { - default - eautoreconf -} - -src_configure() { - econf \ - --enable-undo \ - --enable-menu \ - --without-kdedir \ - $(use_with gnome gnomedir "${EPREFIX}"/usr) \ - $(use_enable emf) -} - -src_install() { - default - - insinto /usr/share/chemtool/examples - doins -r examples/. - - insinto /usr/share/pixmaps - doins chemtool.xpm - - if ! use nls; then - rm -rf "${ED}"/usr/share/locale || die - fi - - make_desktop_entry chemtool Chemtool chemtool "Education;Science;Chemistry" -} |