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authorRobin H. Johnson <robbat2@gentoo.org>2015-08-08 13:49:04 -0700
committerRobin H. Johnson <robbat2@gentoo.org>2015-08-08 17:38:18 -0700
commit56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch)
tree3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/ccpn
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proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/ccpn')
-rw-r--r--sci-chemistry/ccpn/Manifest6
-rw-r--r--sci-chemistry/ccpn/ccpn-2.4.1_p150226.ebuild166
-rw-r--r--sci-chemistry/ccpn/ccpn-2.4.2.ebuild166
-rw-r--r--sci-chemistry/ccpn/ccpn-2.4.2_p150325.ebuild166
-rw-r--r--sci-chemistry/ccpn/ccpn-2.4.2_p150413.ebuild166
-rw-r--r--sci-chemistry/ccpn/ccpn-2.4.2_p150421.ebuild166
-rw-r--r--sci-chemistry/ccpn/files/2.3.1-parallel.patch38
-rw-r--r--sci-chemistry/ccpn/files/analysis8
-rw-r--r--sci-chemistry/ccpn/files/dangle8
-rw-r--r--sci-chemistry/ccpn/files/dataShifter8
-rw-r--r--sci-chemistry/ccpn/files/depositionFileImporter8
-rw-r--r--sci-chemistry/ccpn/files/eci8
-rw-r--r--sci-chemistry/ccpn/files/extendNmr8
-rw-r--r--sci-chemistry/ccpn/files/formatConverter8
-rw-r--r--sci-chemistry/ccpn/files/pipe2azara8
-rw-r--r--sci-chemistry/ccpn/files/talosn.patch16
-rw-r--r--sci-chemistry/ccpn/files/xeasy2azara8
-rw-r--r--sci-chemistry/ccpn/metadata.xml8
18 files changed, 970 insertions, 0 deletions
diff --git a/sci-chemistry/ccpn/Manifest b/sci-chemistry/ccpn/Manifest
new file mode 100644
index 000000000000..73f83f19c7b2
--- /dev/null
+++ b/sci-chemistry/ccpn/Manifest
@@ -0,0 +1,6 @@
+DIST analysis2.4.1.tar.gz 36088236 SHA256 1cb089dcc739e8536d938a68536f556094f5d728907b251fe337758ba5bef106 SHA512 db44468c360d51815614fe0055505001c0a7a722f980c2c049c00524672bdfd4a507134ce1d68b29ebf622ffe94e0c9bb9685fea5b3441790b997a64f78c0dc1 WHIRLPOOL b53fc0438a878a8f8ce0244f5c1ce9edb616665149a699364e3bcd38c5db548c22b80ef67b4183ad5321b71b69a3b85aecc7d912893bba947700003a411651ac
+DIST analysis2.4.2.tar.gz 36390919 SHA256 14941131033cbd4b0b13d6d4fe3f9253360a7c2ace8ece9194be00c1fe4b2903 SHA512 694faefd3c085b559b6bb4729141a9ab885334f578bfbb0ebf260366dbca38c31738d5f5af50b5c7ea16b304b27adf80411082859796a5afeec630c36d56bd8b WHIRLPOOL 4499dcb074d445bfc972f9dea43e6f3e3c28722d513dce0fec4e1b2b5dab8be098f53f82565d86a4e7935f0595ef303465668230aa61021cf88e13cce8606214
+DIST ccpn-update-2.4.1-150226.patch.xz 10732 SHA256 74e8723d310d336cd4215ed4e9a1a1c0b2c0efdb4c03aaacba7ecd0575b38287 SHA512 60eb4acf6179f80207a72076ff5d5d733d3c3e804c1ce0a48701dd6e923146af49cd6759a529c8125f4b26eb3f8f83b35acc0c48b88a3e3034b25b5438a04feb WHIRLPOOL 3a2357d4fcb086206d45edd5b9cc807313b5f62be2f2a70e8f011f5521cf8729371b8c7149837c4ea1f6f059e26a49c1d20492f338a844e15f38ccf543faf6e1
+DIST ccpn-update-2.4.2-150325.patch.xz 2096 SHA256 d33676fd93aaa5814aa43179f221df69f4bae9b8ec98ce5b6cc57ce6aacab732 SHA512 c544e0a4a93d0e3275a22d07d21bf3bb5ed90cf041f40bf08fbc687b431640ad5c56180eadd4b43e4023b08ef42afe5a874423becc6f9313a0b1f642a4b97873 WHIRLPOOL f2e9780eb3216185cc6b89ca490e14c2de1130393eda4308fc71e6a2eb0460fc97f83ab3c92fb6a488a1926ba2f3099c7ae5f0a4bd216f8ffa24bfd87e360838
+DIST ccpn-update-2.4.2-150413.patch.xz 3132 SHA256 c0796e1f739f799003304c8b8d23ea0ee42b2e0a6dd59b292cb2a1167b5725f5 SHA512 99893ca009ff76b015017b29cfd97e0ae935ed2d62aa5a99d52dd9a5f22cf0d369e5019273fe3c3811c28b32568721fb64f71c5927eb57d0cc91dcea44b0288d WHIRLPOOL 48a355ef4824d41517d618178be4cd4efc42a6f5e190bac88348041504da0807aa1b34bafbc3937d7f6fc3b5b52fe469431fb6ce9df40bb1c56d7faad88cfe51
+DIST ccpn-update-2.4.2-150421.patch.xz 3788 SHA256 df8f7dd81281f3f7ddd266b8bd90a089f61a9e8f0cda3bcba8b495a6f4be6238 SHA512 0e8a10b6d9721b52574cd2fe0413dca0fac32a948eb31d3db6e2c4d4f7d85c341e8d53d70954341792ea598a37ec87e4392a615e1c2f6f8bbfc0e42a750be648 WHIRLPOOL 2673ac33b2eca1a3fb873567784f1d77937e7ec6aec3ab7eef6065f9322513326993786bd3865a50c50c58e05bf874ba25df02d15083f50aef9acb404ca4e1ef
diff --git a/sci-chemistry/ccpn/ccpn-2.4.1_p150226.ebuild b/sci-chemistry/ccpn/ccpn-2.4.1_p150226.ebuild
new file mode 100644
index 000000000000..6768d790f140
--- /dev/null
+++ b/sci-chemistry/ccpn/ccpn-2.4.1_p150226.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+PYTHON_REQ_USE="ssl,tk"
+
+inherit eutils flag-o-matic multilib portability python-single-r1 toolchain-funcs versionator
+
+PATCHSET="${PV##*_p}"
+MY_PN="${PN}mr"
+MY_PV="$(replace_version_separator 3 _ ${PV%%_p*})"
+MY_MAJOR="$(get_version_component_range 1-3)"
+
+DESCRIPTION="The Collaborative Computing Project for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/ccpn"
+SRC_URI="http://www-old.ccpn.ac.uk/download/${MY_PN}/analysis${MY_PV}.tar.gz"
+[[ -n ${PATCHSET} ]] \
+ && SRC_URI+=" http://dev.gentoo.org/~jlec/distfiles/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch.xz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+opengl"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+ ${PYTHON_DEPS}
+ dev-lang/tk:0=[threads]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-tcltk/tix
+ =sci-libs/ccpn-data-"${MY_MAJOR}"*[${PYTHON_USEDEP}]
+ sci-biology/psipred
+ x11-libs/libXext
+ x11-libs/libX11
+ opengl? (
+ media-libs/freeglut
+ dev-python/pyglet[${PYTHON_USEDEP}]
+ )"
+DEPEND="${RDEPEND}"
+
+RESTRICT="mirror"
+
+S="${WORKDIR}"/${MY_PN}/${MY_PN}$(get_version_component_range 1-2)
+
+src_prepare() {
+ [[ -n ${PATCHSET} ]] && \
+ EPATCH_OPTS="-p2" epatch "${WORKDIR}"/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch
+
+ epatch "${FILESDIR}"/2.3.1-parallel.patch
+
+ append-lfs-flags
+
+ sed \
+ -e "/PSIPRED_DIR/s:'data':'share/psipred/data':g" \
+ -e "s:weights_s:weights:g" \
+ -i python/ccpnmr/analysis/wrappers/Psipred.py || die
+
+ local tk_ver
+ local myconf
+
+ tk_ver="$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)"
+
+ if use opengl; then
+ GLUT_NEED_INIT="-DNEED_GLUT_INIT"
+ IGNORE_GL_FLAG=""
+ GL_FLAG="-DUSE_GL_TRUE"
+ GL_DIR="${EPREFIX}/usr"
+ GL_LIB="-lglut -lGLU -lGL"
+ GL_INCLUDE_FLAGS="-I\$(GL_DIR)/include"
+ GL_LIB_FLAGS=""
+ else
+ IGNORE_GL_FLAG="-DIGNORE_GL"
+ GL_FLAG="-DUSE_GL_FALSE"
+ fi
+
+ GLUT_NOT_IN_GL=""
+ GLUT_FLAG="\$(GLUT_NEED_INIT) \$(GLUT_NOT_IN_GL)"
+
+ rm -rf data model doc license || die
+
+ sed \
+ -e "s|/usr|${EPREFIX}/usr|g" \
+ -e "s|^\(CC =\).*|\1 $(tc-getCC)|g" \
+ -e "s|^\(OPT_FLAG =\).*|\1 ${CPPFLAGS} ${CFLAGS}|g" \
+ -e "s|^\(LINK_FLAGS =.*\)|\1 ${LDFLAGS}|g" \
+ -e "s|^\(IGNORE_GL_FLAG =\).*|\1 ${IGNORE_GL_FLAG}|g" \
+ -e "s|^\(GL_FLAG =\).*|\1 ${GL_FLAG}|g" \
+ -e "s|^\(GL_DIR =\).*|\1 ${GL_DIR}|g" \
+ -e "s|^\(GL_LIB =\).*|\1 ${GL_LIB}|g" \
+ -e "s|^\(GL_LIB_FLAGS =\).*|\1 ${GL_LIB_FLAGS}|g" \
+ -e "s|^\(GL_INCLUDE_FLAGS =\).*|\1 ${GL_INCLUDE_FLAGS}|g" \
+ -e "s|^\(GLUT_NEED_INIT =\).*|\1 ${GLUT_NEED_INIT}|g" \
+ -e "s|^\(GLUT_NOT_IN_GL =\).*|\1|g" \
+ -e "s|^\(X11_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TCL_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TK_LIB =\).*|\1 -ltk|g" \
+ -e "s|^\(TK_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(PYTHON_INCLUDE_FLAGS =\).*|\1 -I$(python_get_includedir)|g" \
+ -e "s|^\(PYTHON_LIB =\).*|\1 -l${EPYTHON}|g" \
+ c/environment_default.txt > c/environment.txt || die
+
+ sed \
+ -e 's:ln -s:cp -f:g' \
+ -i $(find python -name linkSharedObjs) || die
+}
+
+src_compile() {
+ emake -C c all
+ emake -C c links
+}
+
+src_install() {
+ local libdir
+ local tkver
+ local _wrapper
+
+ find . -name "*.pyc" -type f -delete || die
+
+ libdir=$(get_libdir)
+ tkver=$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)
+
+ _wrapper="analysis dangle dataShifter depositionFileImporter eci formatConverter pipe2azara xeasy2azara extendNmr"
+ for wrapper in ${_wrapper}; do
+ sed \
+ -e "s|gentoo_sitedir|$(python_get_sitedir)|g" \
+ -e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+ -e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+ -e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+ -e "s|gentoopython|${EPYTHON}|g" \
+ -e "s|gentoousr|${EPREFIX}/usr|g" \
+ -e "s|//|/|g" \
+ "${FILESDIR}"/${wrapper} > "${T}"/${wrapper} || die "Fail fix ${wrapper}"
+ dobin "${T}"/${wrapper}
+ done
+
+ local in_path=$(python_get_sitedir)/${PN}
+ local files
+ local pydocs
+
+ pydocs="$(find python -name doc -type d)"
+ rm -rf ${pydocs} || die
+
+ for i in python/memops/format/compatibility/{Converters,part2/Converters2}.py; do
+ sed \
+ -e 's|#from __future__|from __future__|g' \
+ -i ${i} || die
+ done
+
+ dodir ${in_path#${EPREFIX}}/c
+
+ ebegin "Installing main files"
+ python_moduleinto ${PN}
+ python_domodule python
+ eend
+
+ ebegin "Adjusting permissions"
+ for _file in $(find "${ED}" -type f -name "*so"); do
+ chmod 755 ${_file}
+ done
+ eend
+ python_optimize
+}
diff --git a/sci-chemistry/ccpn/ccpn-2.4.2.ebuild b/sci-chemistry/ccpn/ccpn-2.4.2.ebuild
new file mode 100644
index 000000000000..b97807a88f38
--- /dev/null
+++ b/sci-chemistry/ccpn/ccpn-2.4.2.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+PYTHON_REQ_USE="ssl,tk"
+
+inherit eutils flag-o-matic multilib portability python-single-r1 toolchain-funcs versionator
+
+#PATCHSET="${PV##*_p}"
+MY_PN="${PN}mr"
+MY_PV="$(replace_version_separator 3 _ ${PV%%_p*})"
+MY_MAJOR="$(get_version_component_range 1-3)"
+
+DESCRIPTION="The Collaborative Computing Project for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/ccpn"
+SRC_URI="http://www-old.ccpn.ac.uk/download/${MY_PN}/analysis${MY_PV}.tar.gz"
+[[ -n ${PATCHSET} ]] \
+ && SRC_URI+=" http://dev.gentoo.org/~jlec/distfiles/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch.xz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+opengl"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+ ${PYTHON_DEPS}
+ dev-lang/tk:0=[threads]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-tcltk/tix
+ =sci-libs/ccpn-data-"${MY_MAJOR}"*[${PYTHON_USEDEP}]
+ sci-biology/psipred
+ x11-libs/libXext
+ x11-libs/libX11
+ opengl? (
+ media-libs/freeglut
+ dev-python/pyglet[${PYTHON_USEDEP}]
+ )"
+DEPEND="${RDEPEND}"
+
+RESTRICT="mirror"
+
+S="${WORKDIR}"/${MY_PN}/${MY_PN}$(get_version_component_range 1-2)
+
+src_prepare() {
+ [[ -n ${PATCHSET} ]] && \
+ EPATCH_OPTS="-p2" epatch "${WORKDIR}"/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch
+
+ epatch "${FILESDIR}"/2.3.1-parallel.patch
+
+ append-lfs-flags
+
+ sed \
+ -e "/PSIPRED_DIR/s:'data':'share/psipred/data':g" \
+ -e "s:weights_s:weights:g" \
+ -i python/ccpnmr/analysis/wrappers/Psipred.py || die
+
+ local tk_ver
+ local myconf
+
+ tk_ver="$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)"
+
+ if use opengl; then
+ GLUT_NEED_INIT="-DNEED_GLUT_INIT"
+ IGNORE_GL_FLAG=""
+ GL_FLAG="-DUSE_GL_TRUE"
+ GL_DIR="${EPREFIX}/usr"
+ GL_LIB="-lglut -lGLU -lGL"
+ GL_INCLUDE_FLAGS="-I\$(GL_DIR)/include"
+ GL_LIB_FLAGS=""
+ else
+ IGNORE_GL_FLAG="-DIGNORE_GL"
+ GL_FLAG="-DUSE_GL_FALSE"
+ fi
+
+ GLUT_NOT_IN_GL=""
+ GLUT_FLAG="\$(GLUT_NEED_INIT) \$(GLUT_NOT_IN_GL)"
+
+ rm -rf data model doc license || die
+
+ sed \
+ -e "s|/usr|${EPREFIX}/usr|g" \
+ -e "s|^\(CC =\).*|\1 $(tc-getCC)|g" \
+ -e "s|^\(OPT_FLAG =\).*|\1 ${CPPFLAGS} ${CFLAGS}|g" \
+ -e "s|^\(LINK_FLAGS =.*\)|\1 ${LDFLAGS}|g" \
+ -e "s|^\(IGNORE_GL_FLAG =\).*|\1 ${IGNORE_GL_FLAG}|g" \
+ -e "s|^\(GL_FLAG =\).*|\1 ${GL_FLAG}|g" \
+ -e "s|^\(GL_DIR =\).*|\1 ${GL_DIR}|g" \
+ -e "s|^\(GL_LIB =\).*|\1 ${GL_LIB}|g" \
+ -e "s|^\(GL_LIB_FLAGS =\).*|\1 ${GL_LIB_FLAGS}|g" \
+ -e "s|^\(GL_INCLUDE_FLAGS =\).*|\1 ${GL_INCLUDE_FLAGS}|g" \
+ -e "s|^\(GLUT_NEED_INIT =\).*|\1 ${GLUT_NEED_INIT}|g" \
+ -e "s|^\(GLUT_NOT_IN_GL =\).*|\1|g" \
+ -e "s|^\(X11_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TCL_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TK_LIB =\).*|\1 -ltk|g" \
+ -e "s|^\(TK_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(PYTHON_INCLUDE_FLAGS =\).*|\1 -I$(python_get_includedir)|g" \
+ -e "s|^\(PYTHON_LIB =\).*|\1 -l${EPYTHON}|g" \
+ c/environment_default.txt > c/environment.txt || die
+
+ sed \
+ -e 's:ln -s:cp -f:g' \
+ -i $(find python -name linkSharedObjs) || die
+}
+
+src_compile() {
+ emake -C c all
+ emake -C c links
+}
+
+src_install() {
+ local libdir
+ local tkver
+ local _wrapper
+
+ find . -name "*.pyc" -type f -delete || die
+
+ libdir=$(get_libdir)
+ tkver=$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)
+
+ _wrapper="analysis dangle dataShifter depositionFileImporter eci formatConverter pipe2azara xeasy2azara extendNmr"
+ for wrapper in ${_wrapper}; do
+ sed \
+ -e "s|gentoo_sitedir|$(python_get_sitedir)|g" \
+ -e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+ -e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+ -e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+ -e "s|gentoopython|${EPYTHON}|g" \
+ -e "s|gentoousr|${EPREFIX}/usr|g" \
+ -e "s|//|/|g" \
+ "${FILESDIR}"/${wrapper} > "${T}"/${wrapper} || die "Fail fix ${wrapper}"
+ dobin "${T}"/${wrapper}
+ done
+
+ local in_path=$(python_get_sitedir)/${PN}
+ local files
+ local pydocs
+
+ pydocs="$(find python -name doc -type d)"
+ rm -rf ${pydocs} || die
+
+ for i in python/memops/format/compatibility/{Converters,part2/Converters2}.py; do
+ sed \
+ -e 's|#from __future__|from __future__|g' \
+ -i ${i} || die
+ done
+
+ dodir ${in_path#${EPREFIX}}/c
+
+ ebegin "Installing main files"
+ python_moduleinto ${PN}
+ python_domodule python
+ eend
+
+ ebegin "Adjusting permissions"
+ for _file in $(find "${ED}" -type f -name "*so"); do
+ chmod 755 ${_file}
+ done
+ eend
+ python_optimize
+}
diff --git a/sci-chemistry/ccpn/ccpn-2.4.2_p150325.ebuild b/sci-chemistry/ccpn/ccpn-2.4.2_p150325.ebuild
new file mode 100644
index 000000000000..6768d790f140
--- /dev/null
+++ b/sci-chemistry/ccpn/ccpn-2.4.2_p150325.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+PYTHON_REQ_USE="ssl,tk"
+
+inherit eutils flag-o-matic multilib portability python-single-r1 toolchain-funcs versionator
+
+PATCHSET="${PV##*_p}"
+MY_PN="${PN}mr"
+MY_PV="$(replace_version_separator 3 _ ${PV%%_p*})"
+MY_MAJOR="$(get_version_component_range 1-3)"
+
+DESCRIPTION="The Collaborative Computing Project for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/ccpn"
+SRC_URI="http://www-old.ccpn.ac.uk/download/${MY_PN}/analysis${MY_PV}.tar.gz"
+[[ -n ${PATCHSET} ]] \
+ && SRC_URI+=" http://dev.gentoo.org/~jlec/distfiles/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch.xz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+opengl"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+ ${PYTHON_DEPS}
+ dev-lang/tk:0=[threads]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-tcltk/tix
+ =sci-libs/ccpn-data-"${MY_MAJOR}"*[${PYTHON_USEDEP}]
+ sci-biology/psipred
+ x11-libs/libXext
+ x11-libs/libX11
+ opengl? (
+ media-libs/freeglut
+ dev-python/pyglet[${PYTHON_USEDEP}]
+ )"
+DEPEND="${RDEPEND}"
+
+RESTRICT="mirror"
+
+S="${WORKDIR}"/${MY_PN}/${MY_PN}$(get_version_component_range 1-2)
+
+src_prepare() {
+ [[ -n ${PATCHSET} ]] && \
+ EPATCH_OPTS="-p2" epatch "${WORKDIR}"/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch
+
+ epatch "${FILESDIR}"/2.3.1-parallel.patch
+
+ append-lfs-flags
+
+ sed \
+ -e "/PSIPRED_DIR/s:'data':'share/psipred/data':g" \
+ -e "s:weights_s:weights:g" \
+ -i python/ccpnmr/analysis/wrappers/Psipred.py || die
+
+ local tk_ver
+ local myconf
+
+ tk_ver="$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)"
+
+ if use opengl; then
+ GLUT_NEED_INIT="-DNEED_GLUT_INIT"
+ IGNORE_GL_FLAG=""
+ GL_FLAG="-DUSE_GL_TRUE"
+ GL_DIR="${EPREFIX}/usr"
+ GL_LIB="-lglut -lGLU -lGL"
+ GL_INCLUDE_FLAGS="-I\$(GL_DIR)/include"
+ GL_LIB_FLAGS=""
+ else
+ IGNORE_GL_FLAG="-DIGNORE_GL"
+ GL_FLAG="-DUSE_GL_FALSE"
+ fi
+
+ GLUT_NOT_IN_GL=""
+ GLUT_FLAG="\$(GLUT_NEED_INIT) \$(GLUT_NOT_IN_GL)"
+
+ rm -rf data model doc license || die
+
+ sed \
+ -e "s|/usr|${EPREFIX}/usr|g" \
+ -e "s|^\(CC =\).*|\1 $(tc-getCC)|g" \
+ -e "s|^\(OPT_FLAG =\).*|\1 ${CPPFLAGS} ${CFLAGS}|g" \
+ -e "s|^\(LINK_FLAGS =.*\)|\1 ${LDFLAGS}|g" \
+ -e "s|^\(IGNORE_GL_FLAG =\).*|\1 ${IGNORE_GL_FLAG}|g" \
+ -e "s|^\(GL_FLAG =\).*|\1 ${GL_FLAG}|g" \
+ -e "s|^\(GL_DIR =\).*|\1 ${GL_DIR}|g" \
+ -e "s|^\(GL_LIB =\).*|\1 ${GL_LIB}|g" \
+ -e "s|^\(GL_LIB_FLAGS =\).*|\1 ${GL_LIB_FLAGS}|g" \
+ -e "s|^\(GL_INCLUDE_FLAGS =\).*|\1 ${GL_INCLUDE_FLAGS}|g" \
+ -e "s|^\(GLUT_NEED_INIT =\).*|\1 ${GLUT_NEED_INIT}|g" \
+ -e "s|^\(GLUT_NOT_IN_GL =\).*|\1|g" \
+ -e "s|^\(X11_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TCL_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TK_LIB =\).*|\1 -ltk|g" \
+ -e "s|^\(TK_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(PYTHON_INCLUDE_FLAGS =\).*|\1 -I$(python_get_includedir)|g" \
+ -e "s|^\(PYTHON_LIB =\).*|\1 -l${EPYTHON}|g" \
+ c/environment_default.txt > c/environment.txt || die
+
+ sed \
+ -e 's:ln -s:cp -f:g' \
+ -i $(find python -name linkSharedObjs) || die
+}
+
+src_compile() {
+ emake -C c all
+ emake -C c links
+}
+
+src_install() {
+ local libdir
+ local tkver
+ local _wrapper
+
+ find . -name "*.pyc" -type f -delete || die
+
+ libdir=$(get_libdir)
+ tkver=$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)
+
+ _wrapper="analysis dangle dataShifter depositionFileImporter eci formatConverter pipe2azara xeasy2azara extendNmr"
+ for wrapper in ${_wrapper}; do
+ sed \
+ -e "s|gentoo_sitedir|$(python_get_sitedir)|g" \
+ -e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+ -e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+ -e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+ -e "s|gentoopython|${EPYTHON}|g" \
+ -e "s|gentoousr|${EPREFIX}/usr|g" \
+ -e "s|//|/|g" \
+ "${FILESDIR}"/${wrapper} > "${T}"/${wrapper} || die "Fail fix ${wrapper}"
+ dobin "${T}"/${wrapper}
+ done
+
+ local in_path=$(python_get_sitedir)/${PN}
+ local files
+ local pydocs
+
+ pydocs="$(find python -name doc -type d)"
+ rm -rf ${pydocs} || die
+
+ for i in python/memops/format/compatibility/{Converters,part2/Converters2}.py; do
+ sed \
+ -e 's|#from __future__|from __future__|g' \
+ -i ${i} || die
+ done
+
+ dodir ${in_path#${EPREFIX}}/c
+
+ ebegin "Installing main files"
+ python_moduleinto ${PN}
+ python_domodule python
+ eend
+
+ ebegin "Adjusting permissions"
+ for _file in $(find "${ED}" -type f -name "*so"); do
+ chmod 755 ${_file}
+ done
+ eend
+ python_optimize
+}
diff --git a/sci-chemistry/ccpn/ccpn-2.4.2_p150413.ebuild b/sci-chemistry/ccpn/ccpn-2.4.2_p150413.ebuild
new file mode 100644
index 000000000000..6768d790f140
--- /dev/null
+++ b/sci-chemistry/ccpn/ccpn-2.4.2_p150413.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+PYTHON_REQ_USE="ssl,tk"
+
+inherit eutils flag-o-matic multilib portability python-single-r1 toolchain-funcs versionator
+
+PATCHSET="${PV##*_p}"
+MY_PN="${PN}mr"
+MY_PV="$(replace_version_separator 3 _ ${PV%%_p*})"
+MY_MAJOR="$(get_version_component_range 1-3)"
+
+DESCRIPTION="The Collaborative Computing Project for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/ccpn"
+SRC_URI="http://www-old.ccpn.ac.uk/download/${MY_PN}/analysis${MY_PV}.tar.gz"
+[[ -n ${PATCHSET} ]] \
+ && SRC_URI+=" http://dev.gentoo.org/~jlec/distfiles/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch.xz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+opengl"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+ ${PYTHON_DEPS}
+ dev-lang/tk:0=[threads]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-tcltk/tix
+ =sci-libs/ccpn-data-"${MY_MAJOR}"*[${PYTHON_USEDEP}]
+ sci-biology/psipred
+ x11-libs/libXext
+ x11-libs/libX11
+ opengl? (
+ media-libs/freeglut
+ dev-python/pyglet[${PYTHON_USEDEP}]
+ )"
+DEPEND="${RDEPEND}"
+
+RESTRICT="mirror"
+
+S="${WORKDIR}"/${MY_PN}/${MY_PN}$(get_version_component_range 1-2)
+
+src_prepare() {
+ [[ -n ${PATCHSET} ]] && \
+ EPATCH_OPTS="-p2" epatch "${WORKDIR}"/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch
+
+ epatch "${FILESDIR}"/2.3.1-parallel.patch
+
+ append-lfs-flags
+
+ sed \
+ -e "/PSIPRED_DIR/s:'data':'share/psipred/data':g" \
+ -e "s:weights_s:weights:g" \
+ -i python/ccpnmr/analysis/wrappers/Psipred.py || die
+
+ local tk_ver
+ local myconf
+
+ tk_ver="$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)"
+
+ if use opengl; then
+ GLUT_NEED_INIT="-DNEED_GLUT_INIT"
+ IGNORE_GL_FLAG=""
+ GL_FLAG="-DUSE_GL_TRUE"
+ GL_DIR="${EPREFIX}/usr"
+ GL_LIB="-lglut -lGLU -lGL"
+ GL_INCLUDE_FLAGS="-I\$(GL_DIR)/include"
+ GL_LIB_FLAGS=""
+ else
+ IGNORE_GL_FLAG="-DIGNORE_GL"
+ GL_FLAG="-DUSE_GL_FALSE"
+ fi
+
+ GLUT_NOT_IN_GL=""
+ GLUT_FLAG="\$(GLUT_NEED_INIT) \$(GLUT_NOT_IN_GL)"
+
+ rm -rf data model doc license || die
+
+ sed \
+ -e "s|/usr|${EPREFIX}/usr|g" \
+ -e "s|^\(CC =\).*|\1 $(tc-getCC)|g" \
+ -e "s|^\(OPT_FLAG =\).*|\1 ${CPPFLAGS} ${CFLAGS}|g" \
+ -e "s|^\(LINK_FLAGS =.*\)|\1 ${LDFLAGS}|g" \
+ -e "s|^\(IGNORE_GL_FLAG =\).*|\1 ${IGNORE_GL_FLAG}|g" \
+ -e "s|^\(GL_FLAG =\).*|\1 ${GL_FLAG}|g" \
+ -e "s|^\(GL_DIR =\).*|\1 ${GL_DIR}|g" \
+ -e "s|^\(GL_LIB =\).*|\1 ${GL_LIB}|g" \
+ -e "s|^\(GL_LIB_FLAGS =\).*|\1 ${GL_LIB_FLAGS}|g" \
+ -e "s|^\(GL_INCLUDE_FLAGS =\).*|\1 ${GL_INCLUDE_FLAGS}|g" \
+ -e "s|^\(GLUT_NEED_INIT =\).*|\1 ${GLUT_NEED_INIT}|g" \
+ -e "s|^\(GLUT_NOT_IN_GL =\).*|\1|g" \
+ -e "s|^\(X11_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TCL_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TK_LIB =\).*|\1 -ltk|g" \
+ -e "s|^\(TK_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(PYTHON_INCLUDE_FLAGS =\).*|\1 -I$(python_get_includedir)|g" \
+ -e "s|^\(PYTHON_LIB =\).*|\1 -l${EPYTHON}|g" \
+ c/environment_default.txt > c/environment.txt || die
+
+ sed \
+ -e 's:ln -s:cp -f:g' \
+ -i $(find python -name linkSharedObjs) || die
+}
+
+src_compile() {
+ emake -C c all
+ emake -C c links
+}
+
+src_install() {
+ local libdir
+ local tkver
+ local _wrapper
+
+ find . -name "*.pyc" -type f -delete || die
+
+ libdir=$(get_libdir)
+ tkver=$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)
+
+ _wrapper="analysis dangle dataShifter depositionFileImporter eci formatConverter pipe2azara xeasy2azara extendNmr"
+ for wrapper in ${_wrapper}; do
+ sed \
+ -e "s|gentoo_sitedir|$(python_get_sitedir)|g" \
+ -e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+ -e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+ -e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+ -e "s|gentoopython|${EPYTHON}|g" \
+ -e "s|gentoousr|${EPREFIX}/usr|g" \
+ -e "s|//|/|g" \
+ "${FILESDIR}"/${wrapper} > "${T}"/${wrapper} || die "Fail fix ${wrapper}"
+ dobin "${T}"/${wrapper}
+ done
+
+ local in_path=$(python_get_sitedir)/${PN}
+ local files
+ local pydocs
+
+ pydocs="$(find python -name doc -type d)"
+ rm -rf ${pydocs} || die
+
+ for i in python/memops/format/compatibility/{Converters,part2/Converters2}.py; do
+ sed \
+ -e 's|#from __future__|from __future__|g' \
+ -i ${i} || die
+ done
+
+ dodir ${in_path#${EPREFIX}}/c
+
+ ebegin "Installing main files"
+ python_moduleinto ${PN}
+ python_domodule python
+ eend
+
+ ebegin "Adjusting permissions"
+ for _file in $(find "${ED}" -type f -name "*so"); do
+ chmod 755 ${_file}
+ done
+ eend
+ python_optimize
+}
diff --git a/sci-chemistry/ccpn/ccpn-2.4.2_p150421.ebuild b/sci-chemistry/ccpn/ccpn-2.4.2_p150421.ebuild
new file mode 100644
index 000000000000..6768d790f140
--- /dev/null
+++ b/sci-chemistry/ccpn/ccpn-2.4.2_p150421.ebuild
@@ -0,0 +1,166 @@
+# Copyright 1999-2015 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Id$
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+PYTHON_REQ_USE="ssl,tk"
+
+inherit eutils flag-o-matic multilib portability python-single-r1 toolchain-funcs versionator
+
+PATCHSET="${PV##*_p}"
+MY_PN="${PN}mr"
+MY_PV="$(replace_version_separator 3 _ ${PV%%_p*})"
+MY_MAJOR="$(get_version_component_range 1-3)"
+
+DESCRIPTION="The Collaborative Computing Project for NMR"
+HOMEPAGE="http://www.ccpn.ac.uk/ccpn"
+SRC_URI="http://www-old.ccpn.ac.uk/download/${MY_PN}/analysis${MY_PV}.tar.gz"
+[[ -n ${PATCHSET} ]] \
+ && SRC_URI+=" http://dev.gentoo.org/~jlec/distfiles/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch.xz"
+
+SLOT="0"
+LICENSE="|| ( CCPN LGPL-2.1 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="+opengl"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}"
+
+RDEPEND="
+ ${PYTHON_DEPS}
+ dev-lang/tk:0=[threads]
+ dev-python/numpy[${PYTHON_USEDEP}]
+ dev-tcltk/tix
+ =sci-libs/ccpn-data-"${MY_MAJOR}"*[${PYTHON_USEDEP}]
+ sci-biology/psipred
+ x11-libs/libXext
+ x11-libs/libX11
+ opengl? (
+ media-libs/freeglut
+ dev-python/pyglet[${PYTHON_USEDEP}]
+ )"
+DEPEND="${RDEPEND}"
+
+RESTRICT="mirror"
+
+S="${WORKDIR}"/${MY_PN}/${MY_PN}$(get_version_component_range 1-2)
+
+src_prepare() {
+ [[ -n ${PATCHSET} ]] && \
+ EPATCH_OPTS="-p2" epatch "${WORKDIR}"/ccpn-update-${MY_MAJOR}-${PATCHSET}.patch
+
+ epatch "${FILESDIR}"/2.3.1-parallel.patch
+
+ append-lfs-flags
+
+ sed \
+ -e "/PSIPRED_DIR/s:'data':'share/psipred/data':g" \
+ -e "s:weights_s:weights:g" \
+ -i python/ccpnmr/analysis/wrappers/Psipred.py || die
+
+ local tk_ver
+ local myconf
+
+ tk_ver="$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)"
+
+ if use opengl; then
+ GLUT_NEED_INIT="-DNEED_GLUT_INIT"
+ IGNORE_GL_FLAG=""
+ GL_FLAG="-DUSE_GL_TRUE"
+ GL_DIR="${EPREFIX}/usr"
+ GL_LIB="-lglut -lGLU -lGL"
+ GL_INCLUDE_FLAGS="-I\$(GL_DIR)/include"
+ GL_LIB_FLAGS=""
+ else
+ IGNORE_GL_FLAG="-DIGNORE_GL"
+ GL_FLAG="-DUSE_GL_FALSE"
+ fi
+
+ GLUT_NOT_IN_GL=""
+ GLUT_FLAG="\$(GLUT_NEED_INIT) \$(GLUT_NOT_IN_GL)"
+
+ rm -rf data model doc license || die
+
+ sed \
+ -e "s|/usr|${EPREFIX}/usr|g" \
+ -e "s|^\(CC =\).*|\1 $(tc-getCC)|g" \
+ -e "s|^\(OPT_FLAG =\).*|\1 ${CPPFLAGS} ${CFLAGS}|g" \
+ -e "s|^\(LINK_FLAGS =.*\)|\1 ${LDFLAGS}|g" \
+ -e "s|^\(IGNORE_GL_FLAG =\).*|\1 ${IGNORE_GL_FLAG}|g" \
+ -e "s|^\(GL_FLAG =\).*|\1 ${GL_FLAG}|g" \
+ -e "s|^\(GL_DIR =\).*|\1 ${GL_DIR}|g" \
+ -e "s|^\(GL_LIB =\).*|\1 ${GL_LIB}|g" \
+ -e "s|^\(GL_LIB_FLAGS =\).*|\1 ${GL_LIB_FLAGS}|g" \
+ -e "s|^\(GL_INCLUDE_FLAGS =\).*|\1 ${GL_INCLUDE_FLAGS}|g" \
+ -e "s|^\(GLUT_NEED_INIT =\).*|\1 ${GLUT_NEED_INIT}|g" \
+ -e "s|^\(GLUT_NOT_IN_GL =\).*|\1|g" \
+ -e "s|^\(X11_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TCL_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(TK_LIB =\).*|\1 -ltk|g" \
+ -e "s|^\(TK_LIB_FLAGS =\).*|\1 -L${EPREFIX}/usr/$(get_libdir)|g" \
+ -e "s|^\(PYTHON_INCLUDE_FLAGS =\).*|\1 -I$(python_get_includedir)|g" \
+ -e "s|^\(PYTHON_LIB =\).*|\1 -l${EPYTHON}|g" \
+ c/environment_default.txt > c/environment.txt || die
+
+ sed \
+ -e 's:ln -s:cp -f:g' \
+ -i $(find python -name linkSharedObjs) || die
+}
+
+src_compile() {
+ emake -C c all
+ emake -C c links
+}
+
+src_install() {
+ local libdir
+ local tkver
+ local _wrapper
+
+ find . -name "*.pyc" -type f -delete || die
+
+ libdir=$(get_libdir)
+ tkver=$(best_version dev-lang/tk | cut -d- -f3 | cut -d. -f1,2)
+
+ _wrapper="analysis dangle dataShifter depositionFileImporter eci formatConverter pipe2azara xeasy2azara extendNmr"
+ for wrapper in ${_wrapper}; do
+ sed \
+ -e "s|gentoo_sitedir|$(python_get_sitedir)|g" \
+ -e "s|gentoolibdir|${EPREFIX}/usr/${libdir}|g" \
+ -e "s|gentootk|${EPREFIX}/usr/${libdir}/tk${tkver}|g" \
+ -e "s|gentootcl|${EPREFIX}/usr/${libdir}/tclk${tkver}|g" \
+ -e "s|gentoopython|${EPYTHON}|g" \
+ -e "s|gentoousr|${EPREFIX}/usr|g" \
+ -e "s|//|/|g" \
+ "${FILESDIR}"/${wrapper} > "${T}"/${wrapper} || die "Fail fix ${wrapper}"
+ dobin "${T}"/${wrapper}
+ done
+
+ local in_path=$(python_get_sitedir)/${PN}
+ local files
+ local pydocs
+
+ pydocs="$(find python -name doc -type d)"
+ rm -rf ${pydocs} || die
+
+ for i in python/memops/format/compatibility/{Converters,part2/Converters2}.py; do
+ sed \
+ -e 's|#from __future__|from __future__|g' \
+ -i ${i} || die
+ done
+
+ dodir ${in_path#${EPREFIX}}/c
+
+ ebegin "Installing main files"
+ python_moduleinto ${PN}
+ python_domodule python
+ eend
+
+ ebegin "Adjusting permissions"
+ for _file in $(find "${ED}" -type f -name "*so"); do
+ chmod 755 ${_file}
+ done
+ eend
+ python_optimize
+}
diff --git a/sci-chemistry/ccpn/files/2.3.1-parallel.patch b/sci-chemistry/ccpn/files/2.3.1-parallel.patch
new file mode 100644
index 000000000000..fcf44707e082
--- /dev/null
+++ b/sci-chemistry/ccpn/files/2.3.1-parallel.patch
@@ -0,0 +1,38 @@
+diff --git a/ccpnmr2.3/c/Makefile b/ccpnmr2.3/c/Makefile
+index 01fb25a..8e8e1fe 100644
+--- a/ccpnmr2.3/c/Makefile
++++ b/ccpnmr2.3/c/Makefile
+@@ -5,22 +5,22 @@ all: compile
+ compile: global structure analysis clouds dynamics bayes
+
+ global:
+- cd memops/global && $(MAKE)
++ $(MAKE) -C memops/global
+
+-structure:
+- cd ccp/structure && $(MAKE)
++structure: global
++ $(MAKE) -C ccp/structure
+
+-analysis:
+- cd ccpnmr/analysis && $(MAKE)
++analysis: global
++ $(MAKE) -C ccpnmr/analysis
+
+-clouds:
+- cd ccpnmr/clouds && $(MAKE)
++clouds: global
++ $(MAKE) -C ccpnmr/clouds
+
+-dynamics:
+- cd ccpnmr/dynamics && $(MAKE)
++dynamics: global
++ $(MAKE) -C ccpnmr/dynamics
+
+-bayes:
+- cd other/cambridge/bayes && $(MAKE)
++bayes: global
++ $(MAKE) -C other/cambridge/bayes
+
+ clean: global_clean structure_clean analysis_clean clouds_clean dynamics_clean bayes_clean
+
diff --git a/sci-chemistry/ccpn/files/analysis b/sci-chemistry/ccpn/files/analysis
new file mode 100644
index 000000000000..828ed4e64ae9
--- /dev/null
+++ b/sci-chemistry/ccpn/files/analysis
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -i -O ${CCPNMR_TOP_DIR}/ccpn/python/ccpnmr/analysis/AnalysisGui.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/files/dangle b/sci-chemistry/ccpn/files/dangle
new file mode 100644
index 000000000000..6d8a42e615de
--- /dev/null
+++ b/sci-chemistry/ccpn/files/dangle
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/cambridge/dangle/DangleGui.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/files/dataShifter b/sci-chemistry/ccpn/files/dataShifter
new file mode 100644
index 000000000000..c083960f2f60
--- /dev/null
+++ b/sci-chemistry/ccpn/files/dataShifter
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/ccpnmr/format/gui/DataShifter.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/files/depositionFileImporter b/sci-chemistry/ccpn/files/depositionFileImporter
new file mode 100644
index 000000000000..09505ccc4925
--- /dev/null
+++ b/sci-chemistry/ccpn/files/depositionFileImporter
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/pdbe/deposition/dataFileImport/dataFileImportGui.py $@
diff --git a/sci-chemistry/ccpn/files/eci b/sci-chemistry/ccpn/files/eci
new file mode 100644
index 000000000000..54d913348718
--- /dev/null
+++ b/sci-chemistry/ccpn/files/eci
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/ccpnmr/eci/EntryCompletionGui.py $*
diff --git a/sci-chemistry/ccpn/files/extendNmr b/sci-chemistry/ccpn/files/extendNmr
new file mode 100644
index 000000000000..a2fe4c997c7c
--- /dev/null
+++ b/sci-chemistry/ccpn/files/extendNmr
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O -i -O ${CCPNMR_TOP_DIR}/ccpn/python/extendNmr/ExtendNmrGui.py $@
diff --git a/sci-chemistry/ccpn/files/formatConverter b/sci-chemistry/ccpn/files/formatConverter
new file mode 100644
index 000000000000..6cb273612352
--- /dev/null
+++ b/sci-chemistry/ccpn/files/formatConverter
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/ccpnmr/format/gui/FormatConverter.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/files/pipe2azara b/sci-chemistry/ccpn/files/pipe2azara
new file mode 100644
index 000000000000..5a3710a134a7
--- /dev/null
+++ b/sci-chemistry/ccpn/files/pipe2azara
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/ccp/format/spectra/params/NmrPipeData.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/files/talosn.patch b/sci-chemistry/ccpn/files/talosn.patch
new file mode 100644
index 000000000000..e19a0ab19783
--- /dev/null
+++ b/sci-chemistry/ccpn/files/talosn.patch
@@ -0,0 +1,16 @@
+ ccpnmr2.3/python/ccpnmr/format/general/Constants.py | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/ccpnmr2.3/python/ccpnmr/format/general/Constants.py b/ccpnmr2.3/python/ccpnmr/format/general/Constants.py
+index d10553e..fb732db 100644
+--- a/ccpnmr2.3/python/ccpnmr/format/general/Constants.py
++++ b/ccpnmr2.3/python/ccpnmr/format/general/Constants.py
+@@ -865,7 +865,7 @@ IoSetupList = [
+ 'cyana': ['dihedrals.aco',1,1, [['SelectionList','version','Cyana version:',['2.0','2.1'],None]],
+ [['SelectionList','version','Cyana version:',['2.0','2.1'],None]]],
+ 'nmrStar': ['nmrStar.str',1,0, [],[]],
+- 'talos': ['dihedral.tab',1,0, [['MultiSelectionList','validClasses','Classes for valid constraint:',['Good','New','Warn','None'],None],
++ 'talos': ['dihedral.tab',1,0, [['MultiSelectionList','validClasses','Classes for valid constraint:',['Good','New','Warn','Dyn', 'Strong', 'Generous', 'None'],None],
+ ['IntEntry','validCount','Count variable lower limit for valid constraint:',0,None],
+ ['FloatEntry','multiplyDeviation','Multiplication factor to convert deviation in constraint range:',2.0,None]],
+ []]},
diff --git a/sci-chemistry/ccpn/files/xeasy2azara b/sci-chemistry/ccpn/files/xeasy2azara
new file mode 100644
index 000000000000..7b73714c2fa5
--- /dev/null
+++ b/sci-chemistry/ccpn/files/xeasy2azara
@@ -0,0 +1,8 @@
+#!/bin/bash
+
+export CCPNMR_TOP_DIR=gentoo_sitedir
+export PYTHONPATH=.:${CCPNMR_TOP_DIR}/ccpn/python
+export TCL_LIBRARY=gentootcl
+export TK_LIBRARY=gentootk
+export PSIPRED_DIR=gentoousr
+gentoopython -O ${CCPNMR_TOP_DIR}/ccpn/python/ccp/format/spectra/params/XeasyData.py $1 $2 $3 $4 $5 $6
diff --git a/sci-chemistry/ccpn/metadata.xml b/sci-chemistry/ccpn/metadata.xml
new file mode 100644
index 000000000000..ae9ec7c5f6a4
--- /dev/null
+++ b/sci-chemistry/ccpn/metadata.xml
@@ -0,0 +1,8 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email>jlec@gentoo.org</email>
+ </maintainer>
+</pkgmetadata>