reinit the tree, so we can have metadata

5 files changed, 386 insertions, 0 deletions

diff --git a/sci-libs/chemkit/Manifest b/sci-libs/chemkit/Manifest
new file mode 100644
index 000000000000..cab15ca5db29
--- /dev/null
+++ b/sci-libs/chemkit/Manifest
@@ -0,0 +1,7 @@
+AUX chemkit-0.1-multilib.patch 4694 SHA256 9c9402535a1afc727d96d6415dcf16780c0f29998ea7bac3e1e4c3b89ecf3af2 SHA512 dedde9e5db14f088e5a70ebfcd9f46b6fbb2d60b1800a61ece1f7afef24caac502f129573823807caec050ba1515ad402a3615953b903a239c5287a5b96aa8b8 WHIRLPOOL 4e86024cc5dd39af48133c43f477ca4c69fa21d88498fb7af95f1565c6785e2fac39cd1724129db1c390cbdb723a8deee9fab82e6aceae8ed6dfcae0e0a3a646
+AUX chemkit-0.1-unbundle.patch 6103 SHA256 0fb331b49205fc55e00404dec5dbbfc70f5d80b5a64ae06c6aeb7a6971f42552 SHA512 9edd39008763b56eb7697562536c4c4d476880a414ae1a305d1af64cee04e4ccb82585cfd15d2f7608b5200e39863a9a97c2a152110b28e501fbd055737ce015 WHIRLPOOL 1bfe931e706d7259dbf2a5527b1e75cbfa1ca09148fffd25c4e4cc986112fd1cb18730b462c29fcae553b6bbdefcb5c895934b96fb5e141a307fa67eb0becc23
+DIST chemkit-0.1.tar.gz 5842235 SHA256 bec718ce4ae2fcb4cda63004d05a6e6bf65c1887179f665fcee118cbe7bec11b SHA512 0273f8735333000b04007ccd7adc58f0c4809a570fa5a72e4161652d72e8953bf89cad0893c20ecbb3484d6c13a8828c92f12366dddeedaf591815c35f6ef011 WHIRLPOOL 30c73d5d2bb7e946204d3dcdd87b82fa3e5278e799b06df523557f46ca4c71ae7d5b9c37d82af8dcdee48bb83f8840c5f2900b4331c3cf643c323ef20abc1883
+EBUILD chemkit-0.1-r1.ebuild 1838 SHA256 b93c38a6167a09526421e7d44da225178725ecbc9a7274f74545fb954430bd7b SHA512 d1726b0239454b00623c807337341ff4bf5ad5da889e492da0613e09e34422c566322d2ceb68ebffcea52fd499d42c7678c7640b044d7b7a7312c84b4e322cb0 WHIRLPOOL 5c2b2c11d64d63e75d4ad21d03efd9231332dc04b694624fddc68b2e83ea6ef43605d80914a6b051039c40ed9502f7d58578aa11a563ac4d4f0859c22b1e55af
+MISC ChangeLog 2689 SHA256 905f93d2a880dff2c014dcf2196ea45ee33e72e176347b8087c0b329668bff7c SHA512 5dbc79de565751e085de846a95cf4c85bdbfa256dd9b0016eb43f8d7ffdd409e2d7342bb9966c1fe8a6789cbd05fcdb8326fe95f572dbde403729b2723cc3428 WHIRLPOOL 41e5a82dab3b398fbf8e5f1c81e9c13d44114fc72c24fe02d3e8f554cea511a0294a621d2704ef99917e52df577925a9a06ed692ede6ca0490207e7d6fcf3cfd
+MISC ChangeLog-2015 1121 SHA256 827207ab1d87618d48c2bca3e172225d76a1ae86d6aa6bc94f86b23f80bf77a8 SHA512 fdb871617cdafc76b4f8c094d61847286d83289b1fe89220afd64f289c6b53de3012db9042ae827609544c3c951a93292ffcea375229068415b5eec598e92657 WHIRLPOOL 486be8176ec3d1028c965a111e3ddf056a5fb5ee34d65d70e98909d6188385eaab5504ba970ada14152301960351d1fef83d6e53ab54f232c74c7d9b1bcab27a
+MISC metadata.xml 453 SHA256 e2e8ab9cb866c65794124f2a6c54fbb921de29173a083bf55cd637f4848699d5 SHA512 4a492fc1856ccc3eda100f356ef4699bbbc9e51719015ffab0d14d6bf1077cd07f7be3a7113e93f9a1fb2acdc347dffe2fb68e6076c00e80f265cd35ec80019a WHIRLPOOL d9cc84fd96a0718df26cafa8aa1caceac17bb230538b8d4a2817564bf68d506fbe3f2fa1486dc5d0a0fd4fdc5eb83c5b34969bf2d6de4925cc74ba3c80f500d1
diff --git a/sci-libs/chemkit/chemkit-0.1-r1.ebuild b/sci-libs/chemkit/chemkit-0.1-r1.ebuild
new file mode 100644
index 000000000000..b620a1e9f7fd
--- /dev/null
+++ b/sci-libs/chemkit/chemkit-0.1-r1.ebuild
@@ -0,0 +1,84 @@
+# Copyright 1999-2017 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=5
+
+PYTHON_COMPAT=( python2_7 )
+
+inherit cmake-utils multilib python-single-r1 virtualx
+
+DESCRIPTION="Library for chemistry applications"
+HOMEPAGE="http://www.chemkit.org/"
+SRC_URI="mirror://sourceforge/project/${PN}/${P}.tar.gz"
+
+SLOT="0"
+LICENSE="BSD PSF-2.2"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="applications examples python test"
+
+REQUIRED_USE="${PYTHON_REQUIRED_USE}
+	test? ( applications python )"
+
+RDEPEND="
+	dev-libs/boost
+	dev-libs/rapidxml
+	dev-cpp/eigen:3
+	dev-qt/qtcore:4
+	dev-qt/qtgui:4
+	dev-qt/qtopengl:4
+	media-libs/glu
+	sci-libs/inchi
+	sci-libs/lemon
+	virtual/opengl
+	examples? (
+		x11-libs/libX11
+		x11-libs/libXext
+	)
+	python? ( ${PYTHON_DEPS} )
+"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}"/${PN}
+
+PATCHES=(
+	"${FILESDIR}"/${P}-multilib.patch
+	"${FILESDIR}"/${P}-unbundle.patch
+	)
+
+src_prepare() {
+	# jsoncpp API change
+	# xdrf != xdrfile
+	rm -rvf src/3rdparty/{inchi,khronos,lemon,rapidxml} || die
+	cmake-utils_src_prepare
+}
+
+src_configure() {
+	local mycmakeargs=(
+		-DCHEMKIT_BUILD_PLUGIN_BABEL=on
+		-DUSE_SYSTEM_INCHI=ON
+		-DUSE_SYSTEM_JSONCPP=OFF
+		-DUSE_SYSTEM_RAPIDXML=ON
+		-DUSE_SYSTEM_XDRF=OFF
+		$(cmake-utils_use applications CHEMKIT_BUILD_APPS)
+		$(cmake-utils_use applications CHEMKIT_BUILD_QT_DESIGNER_PLUGINS)
+		$(cmake-utils_use examples CHEMKIT_BUILD_EXAMPLES)
+		$(cmake-utils_use examples CHEMKIT_BUILD_DEMOS)
+		$(cmake-utils_use python CHEMKIT_BUILD_BINDINGS_PYTHON)
+		$(cmake-utils_use test CHEMKIT_BUILD_TESTS)
+	)
+	cmake-utils_src_configure
+}
+
+src_test() {
+	VIRTUALX_COMMAND="cmake-utils_src_test"
+	virtualmake
+}
+
+src_install() {
+	use examples && \
+		dobin \
+			"${BUILD_DIR}"/demos/*-viewer/*-viewer \
+			"${BUILD_DIR}"/examples/uff-energy/uff-energy
+
+	cmake-utils_src_install
+}
diff --git a/sci-libs/chemkit/files/chemkit-0.1-multilib.patch b/sci-libs/chemkit/files/chemkit-0.1-multilib.patch
new file mode 100644
index 000000000000..b6a61d58ed8c
--- /dev/null
+++ b/sci-libs/chemkit/files/chemkit-0.1-multilib.patch
@@ -0,0 +1,90 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index e531be4..e0d6b2d 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -44,7 +44,7 @@ configure_file(
+     "${CMAKE_MODULE_PATH}/ChemkitConfig.cmake.in"
+     "${CMAKE_BINARY_DIR}/ChemkitConfig.cmake"
+     IMMEDIATE @ONLY)
+-install(FILES ${CMAKE_BINARY_DIR}/ChemkitConfig.cmake DESTINATION lib/chemkit)
++install(FILES ${CMAKE_BINARY_DIR}/ChemkitConfig.cmake DESTINATION lib${LIB_SUFFIX}/chemkit)
+ 
+ # Create a ChemkitBuildTreeSettings.cmake file for the use from the build tree
+ configure_file(
+diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
+index 88c6b5f..1100c3b 100644
+--- a/src/CMakeLists.txt
++++ b/src/CMakeLists.txt
+@@ -8,12 +8,12 @@ macro(add_chemkit_library library_name)
+   add_library(${library_name} SHARED ${ARGN})
+ 
+   # add install target
+-  install(TARGETS ${library_name} DESTINATION lib)
++  install(TARGETS ${library_name} DESTINATION lib${LIB_SUFFIX})
+ 
+   # copy library into build directory
+   get_target_property(library_location ${library_name} LOCATION)
+   get_filename_component(library_filename ${library_location} NAME)
+-  add_custom_command(TARGET ${library_name} POST_BUILD COMMAND ${CMAKE_COMMAND} ARGS -E copy ${library_location} ${CMAKE_BINARY_DIR}/lib/${library_filename})
++  add_custom_command(TARGET ${library_name} POST_BUILD COMMAND ${CMAKE_COMMAND} ARGS -E copy ${library_location} ${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/${library_filename})
+ 
+ endmacro(add_chemkit_library)
+ 
+diff --git a/src/plugins/CMakeLists.txt b/src/plugins/CMakeLists.txt
+index dc8970f..77029b7 100644
+--- a/src/plugins/CMakeLists.txt
++++ b/src/plugins/CMakeLists.txt
+@@ -3,7 +3,7 @@ macro(add_chemkit_plugin plugin_name)
+   add_library(${plugin_name} SHARED ${ARGN})
+ 
+   # add install target
+-  install(TARGETS ${plugin_name} DESTINATION lib/chemkit/plugins/)
++  install(TARGETS ${plugin_name} DESTINATION lib${LIB_SUFFIX}/chemkit/plugins/)
+ 
+   # remove 'lib' prefix
+   set_target_properties(${plugin_name} PROPERTIES PREFIX "")
+@@ -11,15 +11,15 @@ macro(add_chemkit_plugin plugin_name)
+   # copy plugin into build directory
+   get_target_property(plugin_location ${plugin_name} LOCATION)
+   get_filename_component(plugin_filename ${plugin_location} NAME)
+-  add_custom_command(TARGET ${plugin_name} POST_BUILD COMMAND ${CMAKE_COMMAND} ARGS -E copy ${plugin_location} ${CMAKE_BINARY_DIR}/lib/chemkit/plugins/${plugin_filename})
++  add_custom_command(TARGET ${plugin_name} POST_BUILD COMMAND ${CMAKE_COMMAND} ARGS -E copy ${plugin_location} ${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/chemkit/plugins/${plugin_filename})
+ 
+   # plugin data
+   if(EXISTS ${CMAKE_CURRENT_SOURCE_DIR}/data)
+     # copy plugin data into build directory
+-    file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/data/ DESTINATION ${CMAKE_BINARY_DIR}/lib/chemkit/plugins/data/${plugin_name}/)
++    file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/data/ DESTINATION ${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/chemkit/plugins/data/${plugin_name}/)
+     
+     # install plugin data directory
+-    install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/data/ DESTINATION lib/chemkit/plugins/data/${plugin_name})
++    install(DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/data/ DESTINATION lib${LIB_SUFFIX}/chemkit/plugins/data/${plugin_name})
+   endif()
+ endmacro(add_chemkit_plugin)
+ 
+diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt
+index b191b82..a4ea0b0 100644
+--- a/tests/CMakeLists.txt
++++ b/tests/CMakeLists.txt
+@@ -4,7 +4,7 @@ endif()
+ 
+ macro(add_chemkit_test test_name test_executable)
+   add_test(NAME ${test_name} COMMAND ${test_executable})
+-  set_tests_properties(${test_name} PROPERTIES ENVIRONMENT "CHEMKIT_PLUGIN_PATH=${CMAKE_BINARY_DIR}/lib/chemkit/plugins/")
++  set_tests_properties(${test_name} PROPERTIES ENVIRONMENT "CHEMKIT_PLUGIN_PATH=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/chemkit/plugins/")
+ endmacro(add_chemkit_test)
+ 
+ add_subdirectory(auto)
+diff --git a/tests/auto/bindings/python/CMakeLists.txt b/tests/auto/bindings/python/CMakeLists.txt
+index 9859867..70da693 100644
+--- a/tests/auto/bindings/python/CMakeLists.txt
++++ b/tests/auto/bindings/python/CMakeLists.txt
+@@ -5,7 +5,7 @@ endif()
+ macro(add_chemkit_python_test test_name test_script)
+   add_test(${test_name} ${PYTHON_EXECUTABLE} ${test_script})
+   set_tests_properties(${test_name} PROPERTIES
+-                       ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/bindings/python/;CHEMKIT_PLUGIN_PATH=${CMAKE_BINARY_DIR}/lib/chemkit/plugins")
++                       ENVIRONMENT "PYTHONPATH=${CMAKE_BINARY_DIR}/bindings/python/;CHEMKIT_PLUGIN_PATH=${CMAKE_BINARY_DIR}/lib${LIB_SUFFIX}/chemkit/plugins")
+ endmacro(add_chemkit_python_test)
+ 
+ add_chemkit_python_test(python.Atom ${CMAKE_CURRENT_SOURCE_DIR}/atomtest.py)
diff --git a/sci-libs/chemkit/files/chemkit-0.1-unbundle.patch b/sci-libs/chemkit/files/chemkit-0.1-unbundle.patch
new file mode 100644
index 000000000000..e8c9d18dca6e
--- /dev/null
+++ b/sci-libs/chemkit/files/chemkit-0.1-unbundle.patch
@@ -0,0 +1,191 @@
+ CMakeLists.txt                              | 21 +++++++++++++++++++++
+ src/plugins/chemjson/CMakeLists.txt         |  6 +++++-
+ src/plugins/chemjson/chemjsonfileformat.cpp |  4 ++++
+ src/plugins/cml/cmlfileformat.h             |  4 ++++
+ src/plugins/inchi/CMakeLists.txt            |  4 +++-
+ src/plugins/inchi/inchikeylineformat.cpp    |  4 ++++
+ src/plugins/inchi/inchilineformat.cpp       |  4 ++++
+ src/plugins/pdb/pdbmlfileformat.cpp         |  4 ++++
+ src/plugins/xtc/CMakeLists.txt              |  9 +++++++--
+ src/plugins/xtc/xtcfileformat.cpp           |  4 ++++
+ 10 files changed, 60 insertions(+), 4 deletions(-)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index e531be4..622ea9d 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -55,6 +55,27 @@ configure_file(
+ # export the Chemkit package
+ export(PACKAGE Chemkit)
+ 
++option(USE_SYSTEM_INCHI "Use inchi installed in system" OFF)
++option(USE_SYSTEM_JSONCPP "Use json cpp installed in system" OFF)
++option(USE_SYSTEM_RAPIXML "Use rapidxml installed in system" OFF)
++option(USE_SYSTEM_XDRF "Use xdrflib installed in system" OFF)
++
++if(USE_SYSTEM_INCHI)
++	set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DSYSTEM_INCHI")
++endif()
++
++if(USE_SYSTEM_JSONCPP)
++	set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DSYSTEM_JSONCPP")
++endif()
++
++if(USE_SYSTEM_RAPIDXML)
++	set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DSYSTEM_RAPIDXML")
++endif()
++
++if(USE_SYSTEM_XDRF)
++	set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DSYSTEM_XDRF")
++endif()
++
+ # build options
+ option(CHEMKIT_WITH_GRAPHICS "Build the chemkit-graphics library." ON)
+ option(CHEMKIT_WITH_IO "Build the chemkit-io library." ON)
+diff --git a/src/plugins/chemjson/CMakeLists.txt b/src/plugins/chemjson/CMakeLists.txt
+index 0e115b5..a5e6f48 100644
+--- a/src/plugins/chemjson/CMakeLists.txt
++++ b/src/plugins/chemjson/CMakeLists.txt
+@@ -10,7 +10,11 @@ set(SOURCES
+   chemjsonplugin.cpp
+ )
+ 
+-aux_source_directory(../../3rdparty/jsoncpp/ JSONCPP_SOURCES)
++if(NOT USE_SYSTEM_JSONCPP)
++	aux_source_directory(../../3rdparty/jsoncpp/ JSONCPP_SOURCES)
++else()
++	target_link_libraries(chemjson jsoncpp)
++endif()
+ 
+ add_chemkit_plugin(chemjson ${SOURCES} ${JSONCPP_SOURCES})
+ target_link_libraries(chemjson ${CHEMKIT_LIBRARIES})
+diff --git a/src/plugins/chemjson/chemjsonfileformat.cpp b/src/plugins/chemjson/chemjsonfileformat.cpp
+index a0d271e..3cd5827 100644
+--- a/src/plugins/chemjson/chemjsonfileformat.cpp
++++ b/src/plugins/chemjson/chemjsonfileformat.cpp
+@@ -43,7 +43,11 @@
+ #include <chemkit/molecule.h>
+ #include <chemkit/moleculefile.h>
+ 
++#ifdef SYSTEM_JSONCPP
++#include <jsoncpp/json/json.h>
++#else
+ #include "../../3rdparty/jsoncpp/json/json.h"
++#endif
+ 
+ namespace {
+ 
+diff --git a/src/plugins/cml/cmlfileformat.h b/src/plugins/cml/cmlfileformat.h
+index e813223..61a547d 100644
+--- a/src/plugins/cml/cmlfileformat.h
++++ b/src/plugins/cml/cmlfileformat.h
+@@ -38,7 +38,11 @@
+ 
+ #include <chemkit/moleculefileformat.h>
+ 
++#ifdef SYSTEM_RAPIDXML
++#include <rapidxml/rapidxml.hpp>
++#else
+ #include "../../3rdparty/rapidxml/rapidxml.hpp"
++#endif
+ 
+ class CmlFileFormat : public chemkit::MoleculeFileFormat
+ {
+diff --git a/src/plugins/inchi/CMakeLists.txt b/src/plugins/inchi/CMakeLists.txt
+index 2b25d9b..5f45f8a 100644
+--- a/src/plugins/inchi/CMakeLists.txt
++++ b/src/plugins/inchi/CMakeLists.txt
+@@ -7,7 +7,9 @@ set(SOURCES
+   inchiplugin.cpp
+ )
+ 
+-aux_source_directory(../../3rdparty/inchi/ IUPAC_INCHI_SOURCES)
++if(NOT USE_SYSTEM_INCHI)
++	aux_source_directory(../../3rdparty/inchi/ IUPAC_INCHI_SOURCES)
++endif()
+ 
+ add_chemkit_plugin(inchi ${SOURCES} ${IUPAC_INCHI_SOURCES})
+ target_link_libraries(inchi ${CHEMKIT_LIBRARIES})
+diff --git a/src/plugins/inchi/inchikeylineformat.cpp b/src/plugins/inchi/inchikeylineformat.cpp
+index 2682f95..cec0a17 100644
+--- a/src/plugins/inchi/inchikeylineformat.cpp
++++ b/src/plugins/inchi/inchikeylineformat.cpp
+@@ -38,7 +38,11 @@
+ #include <boost/format.hpp>
+ 
+ #include "inchilineformat.h"
++#ifdef SYSTEM_INCHI
++#include <inchi_api.h>
++#else
+ #include "../../3rdparty/inchi/inchi_api.h"
++#endif
+ 
+ InchiKeyLineFormat::InchiKeyLineFormat()
+     : chemkit::LineFormat("inchikey")
+diff --git a/src/plugins/inchi/inchilineformat.cpp b/src/plugins/inchi/inchilineformat.cpp
+index 5b9bc42..ea5977c 100644
+--- a/src/plugins/inchi/inchilineformat.cpp
++++ b/src/plugins/inchi/inchilineformat.cpp
+@@ -42,7 +42,11 @@
+ 
+ #include <boost/algorithm/string.hpp>
+ 
++#ifdef SYSTEM_INCHI
++#include <inchi_api.h>
++#else
+ #include "../../3rdparty/inchi/inchi_api.h"
++#endif
+ 
+ #include <chemkit/atom.h>
+ #include <chemkit/bond.h>
+diff --git a/src/plugins/pdb/pdbmlfileformat.cpp b/src/plugins/pdb/pdbmlfileformat.cpp
+index 081a4ec..2ca4269 100644
+--- a/src/plugins/pdb/pdbmlfileformat.cpp
++++ b/src/plugins/pdb/pdbmlfileformat.cpp
+@@ -35,7 +35,11 @@
+ 
+ #include "pdbmlfileformat.h"
+ 
++#ifdef SYSTEM_RAPIDXML
++#include <rapidxml/rapidxml.hpp>
++#else
+ #include "../../3rdparty/rapidxml/rapidxml.hpp"
++#endif
+ 
+ #include <chemkit/atom.h>
+ #include <chemkit/polymer.h>
+diff --git a/src/plugins/xtc/CMakeLists.txt b/src/plugins/xtc/CMakeLists.txt
+index 98d8ba7..8c09e64 100644
+--- a/src/plugins/xtc/CMakeLists.txt
++++ b/src/plugins/xtc/CMakeLists.txt
+@@ -13,7 +13,12 @@ set(SOURCES
+   xtcplugin.cpp
+ )
+ 
+-aux_source_directory(../../3rdparty/xdrf/ XDRF_SOURCES)
++
++if(USE_SYSTEM_XDRF)
++	find_library(XDRF_LIBRARY NAMES xdrfile libxdrfile)
++else()
++	aux_source_directory(../../3rdparty/xdrf/ XDRF_SOURCES)
++endif()
+ 
+ add_chemkit_plugin(xtc ${SOURCES} ${XDRF_SOURCES})
+-target_link_libraries(xtc ${CHEMKIT_LIBRARIES} ${Boost_LIBRARIES})
++target_link_libraries(xtc ${CHEMKIT_LIBRARIES} ${Boost_LIBRARIES} ${XDRF_LIBRARY} )
+diff --git a/src/plugins/xtc/xtcfileformat.cpp b/src/plugins/xtc/xtcfileformat.cpp
+index 0f00cb6..f8659ca 100644
+--- a/src/plugins/xtc/xtcfileformat.cpp
++++ b/src/plugins/xtc/xtcfileformat.cpp
+@@ -47,7 +47,11 @@
+ #include <chemkit/trajectoryframe.h>
+ #include <chemkit/cartesiancoordinates.h>
+ 
++#ifdef SYSTEM_XDRF
++#include <xdrfile/xdrfile.h>
++#else
+ #include "../../3rdparty/xdrf/xdrf.h"
++#endif
+ 
+ XtcFileFormat::XtcFileFormat()
+     : chemkit::TrajectoryFileFormat("xtc")
diff --git a/sci-libs/chemkit/metadata.xml b/sci-libs/chemkit/metadata.xml
new file mode 100644
index 000000000000..d2802f9728df
--- /dev/null
+++ b/sci-libs/chemkit/metadata.xml
@@ -0,0 +1,14 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
+<pkgmetadata>
+  <maintainer type="project">
+    <email>sci-chemistry@gentoo.org</email>
+    <name>Gentoo Chemistry Project</name>
+  </maintainer>
+  <use>
+    <flag name="applications">Build also applications not only the libraries</flag>
+  </use>
+  <upstream>
+    <remote-id type="sourceforge">chemkit</remote-id>
+  </upstream>
+</pkgmetadata>