From 4f2d7949f03e1c198bc888f2d05f421d35c57e21 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Mon, 9 Oct 2017 18:53:29 +0100 Subject: reinit the tree, so we can have metadata --- sci-chemistry/cyana/Manifest | 9 ++++ sci-chemistry/cyana/cyana-2.1.ebuild | 71 +++++++++++++++++++++++++++ sci-chemistry/cyana/files/2.1-exec.patch | 77 ++++++++++++++++++++++++++++++ sci-chemistry/cyana/files/2.1-expire.patch | 15 ++++++ sci-chemistry/cyana/files/2.1-typo.patch | 13 +++++ sci-chemistry/cyana/files/2.1-xiar.patch | 16 +++++++ sci-chemistry/cyana/metadata.xml | 8 ++++ 7 files changed, 209 insertions(+) create mode 100644 sci-chemistry/cyana/Manifest create mode 100644 sci-chemistry/cyana/cyana-2.1.ebuild create mode 100644 sci-chemistry/cyana/files/2.1-exec.patch create mode 100644 sci-chemistry/cyana/files/2.1-expire.patch create mode 100644 sci-chemistry/cyana/files/2.1-typo.patch create mode 100644 sci-chemistry/cyana/files/2.1-xiar.patch create mode 100644 sci-chemistry/cyana/metadata.xml (limited to 'sci-chemistry/cyana') diff --git a/sci-chemistry/cyana/Manifest b/sci-chemistry/cyana/Manifest new file mode 100644 index 000000000000..1cf1996ce476 --- /dev/null +++ b/sci-chemistry/cyana/Manifest @@ -0,0 +1,9 @@ +AUX 2.1-exec.patch 1959 SHA256 fe8835c6dcdb6a8befa32e6bff1b761c5c6ae6131f73750e18724fb96f9a9623 SHA512 43f04008b623e95e09cc323abd504c4f5bf708bde4771f2e334ae5d4ca59c24cfcaf34a3ad7c5b65ebb4587614343982fe377a226648098e02de8bdaa1c36a1d WHIRLPOOL 5ff8eedecd3e680e0f17917b6bd3c08bca6a0412f4e3e1693163af431eae3e9534d9fd87e574feaa11268988770a6f15ef5b3e070995995200f91521b8f1302a +AUX 2.1-expire.patch 578 SHA256 723d69026e63995b281ae36582f5114562a1c4d6295d311ca2eb2900a1dc7b95 SHA512 7816f284a7af23c5d87a5a464ea36e7a1b09e73516852b85fac0d71bb8376639788f3f9395f8a6fd9365906d2aaadbd060f2194c7af3b68a24927adefcd56c40 WHIRLPOOL 8443238b88c5869225b6d68841a44fcdd618df21df9b07998b35897ad907a0b4e4264ad5925a46d944cfc7996f2ff9618380ac4f14f1b1f55926595eecedcbc2 +AUX 2.1-typo.patch 484 SHA256 ef05c4254cf859e804c44cdfa5774aca5a2f1aa853f0b6c0bccee837db2a5b8b SHA512 298e5053e4261477a11f0dff2339f198e50e92a96b98c5aea82e3a432b806b1ea0baa3638ef6e65dee315be3223510a804e2c849a82fdda0a1cf296de9d89db4 WHIRLPOOL 18b1db0e746630a9c040bd80b9f6cddff1ceaec2e92ce6d5583f6fb830d565012d25cfba284eb194f7b7930c5b01338b302b8dd7be01d56d62a580ac546ad572 +AUX 2.1-xiar.patch 385 SHA256 c8d4daddaafa1388b87c7b107206df873fe98dc418db36ab48bfb2c60b3435e6 SHA512 ce4c27b70d0c432b33f76b4ff76d004f525243269064f1af439bf42ab9783edd9dc19712b277d8e08bb692a28c40db7007040da1635cbd3c432029e4fe6c680f WHIRLPOOL 76d7e103437a7b76a0411fe563e082f90de514d67cf20e0ef0e7e2f9754230ac65a175471ec0685a8a3be9fa2d612a38137f4d03f10014a6e6dd547b4ff37100 +DIST cyana-2.1.tar.gz 2203650 SHA256 4b49d23eda3a327074fa337c7ee13262e93fb2b92cc6feb9139dfb7695bdeded SHA512 20f5369e47198000927ee9a60beda34d265fddcd6be59f0d5d81ac23691b7e870ca674bdd7215a13bc849586411a007ebb1ff46072b55f255a6d796359067be8 WHIRLPOOL dfc60a456c166d98bbdb60227a2dae63d12ea9fb7375dede3d372a6dbf0785bfd0c8b1069d985a6ee775ab136405b553ff9336a2603d139d81d853f0681f5167 +EBUILD cyana-2.1.ebuild 1439 SHA256 f00f45b10735aa60a57b90aa05980382b5b9c8e04569bc5a559a02d4eb0c47af SHA512 47108af1f37d2adb2fd111da3db51f60feedc4d4f7c4da5327b3217626e8d6826b45993e900ca43d252c98d42216e6a878ada5039be7385bd18d2dac67c3891f WHIRLPOOL 57d9b19272cbba10998769f070ee9d0364bd4854575372b7d51a74b9289d42a1659e9b07aea3e02e7e24d02156d2654eafe24e22924b41b5d72f2de72df3ef00 +MISC ChangeLog 2658 SHA256 3ec8746a7c30c9b68e8d8028a52b68404a5335ab7f64c52e4cb24c4a433a6b7d SHA512 08491938901922cea8a9bcc35337eede0a58e21b6ac8dee287b87ae3d080744bba0055afeaac7b1a81b882b2b7a0ef36126109d344b7c13d45b7341c14c50f0a WHIRLPOOL 1b557630f90673b70317bb103e08a86a79855fbd97e99c2fc39c3b57f133e9c06df2aa551afb768e3e4fc7f2803775e20c0180ce99b358da174ca7be63d09716 +MISC ChangeLog-2015 2576 SHA256 9c77e2e9956b062cfab2b1a0d91d4652ff85189fb4f2273676fefe279497e80e SHA512 8c9fa3acaaa16f33d4d2700c1ebeced86f2ec7c3affe27449d92f909fa7a27f23072fa333d9029d74e10bbf9d6e3d3961b2b92b73094be425b3080cfc55c1059 WHIRLPOOL 5beb86e4ad958efc8ba808adf4b4bf1a5062f13acfbc474363a17c3a916f7348e23e420b90d2dd98bd9e17ee543f8233e78e94bc408ff3b16aadb5a043515bf0 +MISC metadata.xml 271 SHA256 70036ea85140f86ed670bc2791c9de861c4b6164755ee36a2560d1c812ec13f6 SHA512 3e6e6047a29e07123b81279cae1de17bc4bd4c3d7d8a8d26560114a18185f473d038fc220fa81c7213fa203ce197bad8b1c272d9b7e41cd770a953fa6308ff92 WHIRLPOOL 1ccb964819c99258af550a41c6712ba8ebdecbec1c821106de2f22c37b1c981cd4f324856a8014b08bd186bcd2a7fa45a7e772cc15705d1a39016b5229e77269 diff --git a/sci-chemistry/cyana/cyana-2.1.ebuild b/sci-chemistry/cyana/cyana-2.1.ebuild new file mode 100644 index 000000000000..f017c9af247c --- /dev/null +++ b/sci-chemistry/cyana/cyana-2.1.ebuild @@ -0,0 +1,71 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +EAPI=5 + +inherit eutils fortran-2 toolchain-funcs + +DESCRIPTION="Combined assignment and dynamics algorithm for NMR applications" +HOMEPAGE="http://www.las.jp/english/products/cyana.html" +SRC_URI="${P}.tar.gz" + +LICENSE="CYANA" +SLOT="0" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="examples" + +RESTRICT="fetch" + +# we need libg2c for gfortran # 136988 +DEPEND="dev-lang/ifc" +RDEPEND="${DEPEND}" + +pkg_nofetch() { + elog "Please visit" + elog "http://www.las.jp/english/products/cyana.html" + elog "and get a copy of ${A}." + elog "Place it in ${DISTDIR}." +} + +src_prepare() { + epatch \ + "${FILESDIR}"/${PV}-typo.patch \ + "${FILESDIR}"/${PV}-exec.patch \ + "${FILESDIR}"/${PV}-expire.patch \ + "${FILESDIR}"/${PV}-xiar.patch + + cat >> etc/config <<- EOF + VERSION=${PV} + SHELL=${EPREFIX}/bin/sh + FC=ifort + FFLAGS=${FFLAGS} -openmp -threads + FFLAGS2=${FFLAGS} -openmp -threads + CC=$(tc-getCC) + AR=xiar + RANLIB=ranlib + FORK=g77fork.o + LDFLAGS=${LDFLAGS} -reentrancy threaded -openmp + LIBS= + DEFS=-Dintel + SYSTEM=intel + EOF +} + +src_compile() { + cd src || die + emake +} + +src_install() { + dobin cyana{job,table,filter,clean} + newbin src/${PN}/${PN}exe.* ${PN} + insinto /usr/share/${PN} + doins -r lib macro help + use examples && doins -r demo + + cat >> "${T}"/20cyana <<- EOF + CYANALIB="${EPREFIX}/usr/share/${PN}" + EOF + + doenvd "${T}"/20cyana +} diff --git a/sci-chemistry/cyana/files/2.1-exec.patch b/sci-chemistry/cyana/files/2.1-exec.patch new file mode 100644 index 000000000000..28cd88d3eee6 --- /dev/null +++ b/sci-chemistry/cyana/files/2.1-exec.patch @@ -0,0 +1,77 @@ +diff --git a/cyana b/cyana +index 4f746cf..a7ff060 100755 +--- a/cyana ++++ b/cyana +@@ -45,16 +45,13 @@ shift `expr $optind - 1` + + if [ "$h" ]; then usage=1; fi + if [ "$usage" ]; then +- echo "Usage: $prog -hctx parameters ..." ++ echo "Usage: $prog -hS parameters ..." + echo + echo " -h help" + echo " -c command command to start program (must contain \$exefile)" + echo " -S run in safe mode, i.e. within one directory" +- echo " -t system explicit system type" +- echo " -x display name of executable without executing it" + exit 2 + fi +-if [ "$c" ]; then cmd="$c"; fi + sys=$t + mode=$x + safe=$S +@@ -65,23 +62,6 @@ safe=$S + eval ${PROG}ARG='$*' + export ${PROG}ARG + +- +-# ------ Set library name ------ +- +-f=$0 +-if [ `echo $f | sed 's,^/.*,+,'` != "+" ]; then f=`which $0`; fi +-odir=`pwd` +-while [ "`ls -l $f | awk '{ print substr($1,1,1) }'`" = "l" ]; do +- l=`ls -l $f | awk '{ i = NF; print $i }'` +- cd `dirname $f`; cd `dirname $l`; l=`pwd`/`basename $l` +- f=$l +-done +-cd `dirname $f` +-libdir=`pwd | sed 's,/src/'${prog}'$,,'` +-cd $odir +-eval ${PROG}LIB=$libdir +-export ${PROG}LIB +- + if [ "$safe" ]; then + CYANAINIT=initsafe; export CYANAINIT + fi +@@ -89,29 +69,4 @@ fi + + # ------ Start the program ------ + +-if [ -d $libdir/src/$prog ]; then +- exe=$libdir/src/$prog/$exe +-else +- exe=$libdir/$exe +-fi +-if [ "$sys" = "" ]; then +- sys=`$libdir/etc/identify` +- files="$exe.$sys* $exe.gnu $exe.*" +-else +- files=$exe.$sys +-fi +-for exefile in $files; do +- if [ -x $exefile ]; then +- if [ "$mode" ]; then +- echo $exefile; exit 0 +- else +- if [ "`echo $cmd | grep -c '\$exefile'`" -gt 0 ]; then +- eval exec $cmd +- else +- eval exec $cmd $exefile +- fi +- fi +- fi +-done +-echo "No executable found in \"`dirname $exe`\"." +-exit 1 ++exec cyana diff --git a/sci-chemistry/cyana/files/2.1-expire.patch b/sci-chemistry/cyana/files/2.1-expire.patch new file mode 100644 index 000000000000..e18008286f68 --- /dev/null +++ b/sci-chemistry/cyana/files/2.1-expire.patch @@ -0,0 +1,15 @@ +--- src/inclan/unix.for.orig 2011-01-05 14:56:46.572193759 +0100 ++++ src/inclan/unix.for 2011-01-05 14:57:27.833627375 +0100 +@@ -206,11 +206,8 @@ + end if + if (iwbeg.lt.0) then + iwbeg=igttim +- iexpir=(julday(12,31,2010)-julday(1,1,1970))*24*3600 +- if (iwbeg.gt.iexpir) call fatmsg ('License expired.') ++ iexpir=iwbeg+100 + j=(iexpir-iwbeg)/(24*3600) +- if (j.lt.1000) +- * call wrnmsg ('License expires in '//plural(j,'day')//'.') + end if + iwall=igttim-iwbeg + c print *,'iwall = ',iwall,iwbeg,idat,itim \ No newline at end of file diff --git a/sci-chemistry/cyana/files/2.1-typo.patch b/sci-chemistry/cyana/files/2.1-typo.patch new file mode 100644 index 000000000000..3f011a9b2c28 --- /dev/null +++ b/sci-chemistry/cyana/files/2.1-typo.patch @@ -0,0 +1,13 @@ +diff --git a/src/cyana/putpro.f b/src/cyana/putpro.f +index d4080f9..4490225 100644 +--- a/src/cyana/putpro.f ++++ b/src/cyana/putpro.f +@@ -66,7 +66,7 @@ c ------------------------------------------------------ BMRB header + * ' _Mol_residue_sequence', + * ';' + do i=1,nr,20 +- write (iunit,'(20A1))') (rcode(rnam(j)),j=i,min(nr,i+19)) ++ write (iunit,'(20A1)') (rcode(rnam(j)),j=i,min(nr,i+19)) + end do + + write (iunit,'(A)') diff --git a/sci-chemistry/cyana/files/2.1-xiar.patch b/sci-chemistry/cyana/files/2.1-xiar.patch new file mode 100644 index 000000000000..e8393253d7f6 --- /dev/null +++ b/sci-chemistry/cyana/files/2.1-xiar.patch @@ -0,0 +1,16 @@ + src/inclan/Makefile | 2 +- + 1 files changed, 1 insertions(+), 1 deletions(-) + +diff --git a/src/inclan/Makefile b/src/inclan/Makefile +index fc5a8bf..482d48f 100644 +--- a/src/inclan/Makefile ++++ b/src/inclan/Makefile +@@ -35,7 +35,7 @@ clean: + + inclan.a: $(OBJS) + rm -f $@ +- ar rc $@ $(OBJS) ++ $(AR) rc $@ $(OBJS) + if [ "$(RANLIB)" ]; then $(RANLIB) $@; fi + + inclan.o: inclan.for diff --git a/sci-chemistry/cyana/metadata.xml b/sci-chemistry/cyana/metadata.xml new file mode 100644 index 000000000000..8937bad0b175 --- /dev/null +++ b/sci-chemistry/cyana/metadata.xml @@ -0,0 +1,8 @@ + + + + + sci-chemistry@gentoo.org + Gentoo Chemistry Project + + -- cgit v1.2.3