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-rw-r--r--sci-chemistry/ball/Manifest1
-rw-r--r--sci-chemistry/ball/ball-1.5.0_pre20180419.ebuild100
-rw-r--r--sci-chemistry/ball/files/ball-1.5.0-gnuinstalldirs.patch355
-rw-r--r--sci-chemistry/ball/metadata.xml26
4 files changed, 472 insertions, 10 deletions
diff --git a/sci-chemistry/ball/Manifest b/sci-chemistry/ball/Manifest
index f5a46e404732..f8232c238a61 100644
--- a/sci-chemistry/ball/Manifest
+++ b/sci-chemistry/ball/Manifest
@@ -1 +1,2 @@
DIST BALL-1.4.2.tar.xz 16080664 BLAKE2B 15faa5f1aed0701ab318ac965ece216be0ff653ab1e57b0a1f2c253cf97b1ac89800ab528c9d044da903b154e16d1dfde936bd1475d6b1903acfa867904a55a7 SHA512 c719af4ef2dc1076818d59b72350b704fbffea06bd44737519fb50d88da113ea509333d407f2330aa59bf1c4e6b81adfd3d28e05459f66d7c9707f8d85db7a87
+DIST ball-1.5.0_pre20180419.tar.gz 37577697 BLAKE2B 44db256dad4703115ca381c4bc7f8393657d9d205b78c9ed55328769129dc38a2898d838bea2beb2e1e5e25184944a5724dd808917928f79c41b8216d98a6677 SHA512 a5cf9680468636c6b3de950f058d1bedb9c2d9ef7b5ba1af60e4b79fab3e6bae9cd814ec3238703075ae66c5a637d1ba8281ce7f11ac842133af91c000c983c3
diff --git a/sci-chemistry/ball/ball-1.5.0_pre20180419.ebuild b/sci-chemistry/ball/ball-1.5.0_pre20180419.ebuild
new file mode 100644
index 000000000000..b4d49d1fb14b
--- /dev/null
+++ b/sci-chemistry/ball/ball-1.5.0_pre20180419.ebuild
@@ -0,0 +1,100 @@
+# Copyright 1999-2018 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+
+EAPI=6
+
+PYTHON_COMPAT=( python2_7 )
+COMMIT=e80b5e2021a72faa36bf9e35207998d4590f2cf4
+inherit cmake-utils python-single-r1
+
+DESCRIPTION="Biochemical Algorithms Library"
+HOMEPAGE="https://github.com/BALL-Project/ball"
+SRC_URI="https://github.com/BALL-Project/${PN}/archive/${COMMIT}.tar.gz -> ${P}.tar.gz"
+
+SLOT="0"
+LICENSE="LGPL-2 fftw? ( GPL-3 ) openbabel? ( GPL-3 )"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="cuda doc +fftw +gui lpsolve mpi openbabel +python svm test threads webengine"
+
+REQUIRED_USE="
+ python? ( ${PYTHON_REQUIRED_USE} )
+ threads? ( fftw )
+ webengine? ( gui )
+"
+
+RDEPEND="
+ dev-cpp/eigen:3
+ dev-libs/boost:=
+ dev-qt/qtcore:5
+ dev-qt/qtnetwork:5
+ dev-qt/qtxml:5
+ media-libs/glew:0=
+ virtual/opengl
+ x11-libs/libX11
+ cuda? ( dev-util/nvidia-cuda-toolkit )
+ fftw? ( sci-libs/fftw:3.0=[threads?] )
+ gui? (
+ dev-qt/qtgui:5
+ dev-qt/qtopengl:5
+ dev-qt/qtprintsupport:5
+ dev-qt/qttest:5
+ dev-qt/qtwidgets:5
+ )
+ lpsolve? ( sci-mathematics/lpsolve )
+ mpi? ( virtual/mpi )
+ openbabel? ( sci-chemistry/openbabel:= )
+ python? ( ${PYTHON_DEPS} )
+ svm? ( sci-libs/libsvm:= )
+ webengine? (
+ dev-qt/qtwebchannel:5
+ dev-qt/qtwebengine:5[widgets]
+ )
+"
+DEPEND="${RDEPEND}
+ sys-devel/bison
+ virtual/yacc
+ doc? ( app-doc/doxygen[dot] )
+ gui? ( dev-qt/linguist-tools:5 )
+ python? ( dev-python/sip )
+"
+
+S="${WORKDIR}"/${PN}-${COMMIT}
+
+PATCHES=( "${FILESDIR}"/${PN}-1.5.0-gnuinstalldirs.patch )
+
+RESTRICT="test"
+
+pkg_setup() {
+ use python && python-single-r1_pkg_setup
+}
+
+src_configure() {
+ local mycmakeargs=(
+ -DUPDATE_TRANSLATIONS=ON
+ -DCMAKE_DISABLE_FIND_PACKAGE_LATEX=ON
+ -DCMAKE_INSTALL_DOCDIR=/usr/share/doc/${PF}
+ -DUSE_CUDA=$(usex cuda)
+ -DCMAKE_DISABLE_FIND_PACKAGE_Doxygen=$(usex !doc)
+ -DCMAKE_DISABLE_FIND_PACKAGE_FFTW=$(usex !fftw)
+ -DUSE_LPSOLVE=$(usex lpsolve)
+ -DUSE_MPI=$(usex mpi)
+ -DREQUIRE_MPI=$(usex mpi)
+ -DCMAKE_DISABLE_FIND_PACKAGE_OpenBabel2=$(usex !openbabel)
+ -DBALL_PYTHON_SUPPORT=$(usex python)
+ -DBALL_HAS_VIEW=$(usex gui)
+ -DUSE_LIBSVM=$(usex svm)
+ -DUSE_FFTW_THREADS=$(usex threads)
+ -DUSE_QTWEBENGINE=$(usex webengine)
+ )
+
+ if use fftw || use openbabel; then
+ mycmakeargs+=( -DBALL_LICENSE=GPL )
+ fi
+
+ cmake-utils_src_configure
+}
+
+src_compile() {
+ cmake-utils_src_compile
+ use test && cmake-utils_src_make build_tests
+}
diff --git a/sci-chemistry/ball/files/ball-1.5.0-gnuinstalldirs.patch b/sci-chemistry/ball/files/ball-1.5.0-gnuinstalldirs.patch
new file mode 100644
index 000000000000..f9fedc58bb6f
--- /dev/null
+++ b/sci-chemistry/ball/files/ball-1.5.0-gnuinstalldirs.patch
@@ -0,0 +1,355 @@
+From a8cade5ed7090c704aed53871fb664a0fe07af54 Mon Sep 17 00:00:00 2001
+From: Andreas Sturmlechner <andreas.sturmlechner@gmail.com>
+Date: Sat, 21 Apr 2018 20:07:09 +0200
+Subject: [PATCH 1/3] Use GNUInstallDirs
+
+---
+ CMakeLists.txt | 30 ++++++++++++++++--------------
+ 1 file changed, 16 insertions(+), 14 deletions(-)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index be57fe90c..1a54446fb 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -65,6 +65,8 @@ INCLUDE(BALLCompilerSpecific)
+ # Determine BALL configuration
+ INCLUDE(BALLConfiguration)
+
++INCLUDE(GNUInstallDirs)
++
+ # We do not have a Component-based installer in MacOS
+ IF(NOT APPLE)
+ INCLUDE(BALLComponents)
+@@ -473,20 +475,20 @@ SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY "${PROJECT_BINARY_DIR}/bin")
+
+ ## These variables are used in all install-targets
+ IF (NOT APPLE)
+- SET(BALL_RUNTIME_INSTALL_DIRECTORY "bin")
+- SET(BALL_LIBRARY_INSTALL_DIRECTORY "lib")
+- SET(BALL_ARCHIVE_INSTALL_DIRECTORY "lib")
+- SET(BALL_HEADER_INSTALL_DIRECTORY ".")
+- SET(BALL_DATA_INSTALL_DIRECTORY "share/BALL")
+- SET(BALL_DOCUMENTATION_INSTALL_DIRECTORY "share/BALL/doc")
+- SET(BALL_TOOLS_INSTALL_DIRECTORY "bin/BALLTools")
++ SET(BALL_RUNTIME_INSTALL_DIRECTORY ${CMAKE_INSTALL_BINDIR})
++ SET(BALL_LIBRARY_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
++ SET(BALL_ARCHIVE_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
++ SET(BALL_HEADER_INSTALL_DIRECTORY ${CMAKE_INSTALL_INCLUDEDIR})
++ SET(BALL_DATA_INSTALL_DIRECTORY ${CMAKE_INSTALL_DATAROOTDIR}/BALL)
++ SET(BALL_DOCUMENTATION_INSTALL_DIRECTORY ${CMAKE_INSTALL_DOCDIR})
++ SET(BALL_TOOLS_INSTALL_DIRECTORY ${CMAKE_INSTALL_BINDIR}/BALLTools)
+
+ IF(WIN32)
+ SET(BALL_PYTHON_INSTALL_DIRECTORY "bin")
+ SET(BALL_PLUGIN_INSTALL_DIRECTORY "bin")
+ ELSE()
+- SET(BALL_PYTHON_INSTALL_DIRECTORY "lib")
+- SET(BALL_PLUGIN_INSTALL_DIRECTORY "lib")
++ SET(BALL_PYTHON_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
++ SET(BALL_PLUGIN_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
+ ENDIF()
+ ENDIF()
+
+@@ -710,21 +712,21 @@ IF(NOT APPLE)
+ ## care of data files and headers
+ IF (NOT "${CMAKE_INSTALL_PREFIX}" STREQUAL ".")
+ ### Install the data directories
+- INSTALL(DIRECTORY data DESTINATION "${BALL_DATA_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL})
++ INSTALL(DIRECTORY data/ DESTINATION "${BALL_DATA_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL})
+
+ ### Install the includes
+- INSTALL(DIRECTORY include DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL_DEV})
++ INSTALL(DIRECTORY include/ DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL_DEV})
+ ENDIF()
+
+ ## The configured files have to be copied in any case
+ INSTALL(FILES ${PROJECT_BINARY_DIR}/include/BALL/CONFIG/config.h
+- DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/include/BALL/CONFIG"
++ DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/BALL/CONFIG"
+ COMPONENT ${COMPONENT_LIBBALL_DEV}
+ )
+
+ INSTALL(FILES
+ ${PROJECT_BINARY_DIR}/include/BALL/PYTHON/BALLPythonConfig.h
+- DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/include/BALL/PYTHON"
++ DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/BALL/PYTHON"
+ COMPONENT ${COMPONENT_LIBBALL_DEV}
+ )
+
+@@ -866,7 +868,7 @@ EXPORT(PACKAGE BALL)
+ # Generate CMake package configuration for BALL installation
+ IF(NOT APPLE)
+ # Installation path for BALL CMake package configuration files
+- SET(BALL_CMAKE_EXPORT_PATH "lib/cmake/BALL" CACHE PATH "Path to the cmake package configuration files")
++ SET(BALL_CMAKE_EXPORT_PATH ${CMAKE_INSTALL_LIBDIR}/cmake/BALL CACHE PATH "Path to the cmake package configuration files")
+
+ LIST(REMOVE_ITEM BALL_INCLUDE_DIRS "${PROJECT_BINARY_DIR}/include")
+ LIST(REMOVE_ITEM BALL_INCLUDE_DIRS "${PROJECT_SOURCE_DIR}/include")
+--
+2.17.0
+
+
+From 17cbef40ad91cf051ca83b1ccf53dd2ccb22fc8d Mon Sep 17 00:00:00 2001
+From: Andreas Sturmlechner <andreas.sturmlechner@gmail.com>
+Date: Sat, 21 Apr 2018 21:20:01 +0200
+Subject: [PATCH 2/3] Drop superfluous cmake variables
+
+---
+ CMakeLists.txt | 34 +++++++------------
+ cmake/BALLDoc.cmake | 6 ++--
+ source/APPLICATIONS/BALLVIEW/CMakeLists.txt | 4 +--
+ source/EXTENSIONS/BALLAXY/CMakeLists.txt | 2 +-
+ source/EXTENSIONS/JUPYTER/CMakeLists.txt | 2 +-
+ source/EXTENSIONS/PRESENTABALL/CMakeLists.txt | 2 +-
+ source/PYTHON/EXTENSIONS/CMakeLists.txt | 12 +++----
+ 7 files changed, 27 insertions(+), 35 deletions(-)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 1a54446fb..9b9f3513b 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -475,14 +475,6 @@ SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY "${PROJECT_BINARY_DIR}/bin")
+
+ ## These variables are used in all install-targets
+ IF (NOT APPLE)
+- SET(BALL_RUNTIME_INSTALL_DIRECTORY ${CMAKE_INSTALL_BINDIR})
+- SET(BALL_LIBRARY_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
+- SET(BALL_ARCHIVE_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
+- SET(BALL_HEADER_INSTALL_DIRECTORY ${CMAKE_INSTALL_INCLUDEDIR})
+- SET(BALL_DATA_INSTALL_DIRECTORY ${CMAKE_INSTALL_DATAROOTDIR}/BALL)
+- SET(BALL_DOCUMENTATION_INSTALL_DIRECTORY ${CMAKE_INSTALL_DOCDIR})
+- SET(BALL_TOOLS_INSTALL_DIRECTORY ${CMAKE_INSTALL_BINDIR}/BALLTools)
+-
+ IF(WIN32)
+ SET(BALL_PYTHON_INSTALL_DIRECTORY "bin")
+ SET(BALL_PLUGIN_INSTALL_DIRECTORY "bin")
+@@ -693,18 +685,18 @@ IF(NOT APPLE)
+ INSTALL(TARGETS BALL
+ EXPORT BALLExportGroup
+ COMPONENT "${COMPONENT_LIBBALL}"
+- RUNTIME DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
+- LIBRARY DESTINATION "${BALL_LIBRARY_INSTALL_DIRECTORY}"
+- ARCHIVE DESTINATION "${BALL_ARCHIVE_INSTALL_DIRECTORY}"
++ RUNTIME DESTINATION "${CMAKE_INSTALL_BINDIR}"
++ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}"
++ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}"
+ )
+
+ IF(BALL_HAS_VIEW)
+ INSTALL(TARGETS VIEW
+ EXPORT BALLExportGroup
+ COMPONENT "${COMPONENT_LIBVIEW}"
+- RUNTIME DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
+- LIBRARY DESTINATION "${BALL_LIBRARY_INSTALL_DIRECTORY}"
+- ARCHIVE DESTINATION "${BALL_ARCHIVE_INSTALL_DIRECTORY}"
++ RUNTIME DESTINATION "${CMAKE_INSTALL_BINDIR}"
++ LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}"
++ ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}"
+ )
+ ENDIF()
+
+@@ -712,21 +704,21 @@ IF(NOT APPLE)
+ ## care of data files and headers
+ IF (NOT "${CMAKE_INSTALL_PREFIX}" STREQUAL ".")
+ ### Install the data directories
+- INSTALL(DIRECTORY data/ DESTINATION "${BALL_DATA_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL})
++ INSTALL(DIRECTORY data/ DESTINATION ${CMAKE_INSTALL_DATAROOTDIR}/BALL COMPONENT ${COMPONENT_LIBBALL})
+
+ ### Install the includes
+- INSTALL(DIRECTORY include/ DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}" COMPONENT ${COMPONENT_LIBBALL_DEV})
++ INSTALL(DIRECTORY include/ DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}" COMPONENT ${COMPONENT_LIBBALL_DEV})
+ ENDIF()
+
+ ## The configured files have to be copied in any case
+ INSTALL(FILES ${PROJECT_BINARY_DIR}/include/BALL/CONFIG/config.h
+- DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/BALL/CONFIG"
++ DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/BALL/CONFIG"
+ COMPONENT ${COMPONENT_LIBBALL_DEV}
+ )
+
+ INSTALL(FILES
+ ${PROJECT_BINARY_DIR}/include/BALL/PYTHON/BALLPythonConfig.h
+- DESTINATION "${BALL_HEADER_INSTALL_DIRECTORY}/BALL/PYTHON"
++ DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/BALL/PYTHON"
+ COMPONENT ${COMPONENT_LIBBALL_DEV}
+ )
+
+@@ -744,14 +736,14 @@ IF(NOT APPLE)
+ FOREACH(LIB ${BALL_DEP_OPT_DLLS})
+ STRING(TOLOWER "${LIB}" LOWER_LIB)
+ INSTALL(FILES "${LIB}"
+- DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
++ DESTINATION "${CMAKE_INSTALL_BINDIR}"
+ COMPONENT ${COMPONENT_LIBBALL})
+ ENDFOREACH()
+
+ IF(QT_DEPLOY_EXECUTABLE)
+ INSTALL(CODE
+- "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/BALL.dll)
+- EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/VIEW.dll)"
++ "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/BALL.dll)
++ EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/VIEW.dll)"
+ COMPONENT "${COMPONENT_LIBBALL}")
+ ENDIF()
+ ENDIF()
+diff --git a/cmake/BALLDoc.cmake b/cmake/BALLDoc.cmake
+index 061b9c95f..2d7c17466 100644
+--- a/cmake/BALLDoc.cmake
++++ b/cmake/BALLDoc.cmake
+@@ -20,7 +20,7 @@ ENDIF()
+
+ IF(NOT APPLE)
+ INSTALL(DIRECTORY "${PROJECT_SOURCE_DIR}/doc/examples/"
+- DESTINATION "${BALL_DOCUMENTATION_INSTALL_DIRECTORY}/EXAMPLES"
++ DESTINATION "${CMAKE_INSTALL_DOCDIR}/EXAMPLES"
+ COMPONENT "${COMPONENT_DOCUMENTATION_EXAMPLES}")
+ ENDIF()
+
+@@ -53,7 +53,7 @@ IF (DOXYGEN_FOUND)
+
+ IF(NOT APPLE)
+ INSTALL(DIRECTORY "${PROJECT_BINARY_DIR}/doc/html/"
+- DESTINATION "${BALL_DOCUMENTATION_INSTALL_DIRECTORY}/BALL"
++ DESTINATION "${CMAKE_INSTALL_DOCDIR}/BALL"
+ COMPONENT "${COMPONENT_DOCUMENTATION_HTML}"
+ )
+ ENDIF()
+@@ -107,7 +107,7 @@ IF (LATEX_COMPILER AND DVIPS_CONVERTER)
+
+ IF(NOT APPLE)
+ INSTALL(FILES ${PROJECT_BINARY_DIR}/doc/tutorial.pdf
+- DESTINATION "${BALL_DOCUMENTATION_INSTALL_DIRECTORY}/TUTORIAL"
++ DESTINATION "${CMAKE_INSTALL_DOCDIR}/TUTORIAL"
+ COMPONENT "${COMPONENT_DOCUMENTATION_PDF}"
+ OPTIONAL
+ )
+diff --git a/source/APPLICATIONS/BALLVIEW/CMakeLists.txt b/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
+index b4b96c31c..5fd21ee68 100644
+--- a/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
++++ b/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
+@@ -59,13 +59,13 @@ IF(APPLE)
+ ELSE()
+ INSTALL(TARGETS BALLView
+ COMPONENT "${COMPONENT_BALLVIEW}"
+- RUNTIME DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
++ RUNTIME DESTINATION "${CMAKE_INSTALL_BINDIR}"
+ BUNDLE DESTINATION "${BALL_BUNDLE_INSTALL_DIRECTORY}"
+ )
+
+ IF(WIN32)
+ IF(QT_DEPLOY_EXECUTABLE)
+- INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/BALLView.exe)"
++ INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/BALLView.exe)"
+ COMPONENT "${COMPONENT_BALLVIEW}")
+ ENDIF()
+ ENDIF()
+diff --git a/source/EXTENSIONS/BALLAXY/CMakeLists.txt b/source/EXTENSIONS/BALLAXY/CMakeLists.txt
+index 2fdfcbeed..1eed12c37 100644
+--- a/source/EXTENSIONS/BALLAXY/CMakeLists.txt
++++ b/source/EXTENSIONS/BALLAXY/CMakeLists.txt
+@@ -66,7 +66,7 @@ IF(NOT APPLE)
+
+ IF(WIN32)
+ IF(QT_DEPLOY_EXECUTABLE)
+- INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/pluginBALLaxy.dll)"
++ INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/pluginBALLaxy.dll)"
+ COMPONENT "Unspecified")
+ ENDIF()
+ ENDIF()
+diff --git a/source/EXTENSIONS/JUPYTER/CMakeLists.txt b/source/EXTENSIONS/JUPYTER/CMakeLists.txt
+index bb7e91921..24a459fbf 100644
+--- a/source/EXTENSIONS/JUPYTER/CMakeLists.txt
++++ b/source/EXTENSIONS/JUPYTER/CMakeLists.txt
+@@ -78,7 +78,7 @@ IF(NOT APPLE)
+
+ IF(WIN32)
+ IF(QT_DEPLOY_EXECUTABLE)
+- INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/pluginJupyter.dll)"
++ INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/pluginJupyter.dll)"
+ COMPONENT "Unspecified")
+ ENDIF()
+ ENDIF()
+diff --git a/source/EXTENSIONS/PRESENTABALL/CMakeLists.txt b/source/EXTENSIONS/PRESENTABALL/CMakeLists.txt
+index 8606f2f26..ad027fd03 100644
+--- a/source/EXTENSIONS/PRESENTABALL/CMakeLists.txt
++++ b/source/EXTENSIONS/PRESENTABALL/CMakeLists.txt
+@@ -66,7 +66,7 @@ IF(NOT APPLE)
+
+ IF(WIN32)
+ IF(QT_DEPLOY_EXECUTABLE)
+- INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${BALL_RUNTIME_INSTALL_DIRECTORY}/pluginPresentaBALL.dll)"
++ INSTALL(CODE "EXECUTE_PROCESS(COMMAND ${QT_DEPLOY_EXECUTABLE} \$\{CMAKE_INSTALL_PREFIX\}/${CMAKE_INSTALL_BINDIR}/pluginPresentaBALL.dll)"
+ COMPONENT "Unspecified")
+ ENDIF()
+ ENDIF()
+diff --git a/source/PYTHON/EXTENSIONS/CMakeLists.txt b/source/PYTHON/EXTENSIONS/CMakeLists.txt
+index 590e1de3a..374732519 100644
+--- a/source/PYTHON/EXTENSIONS/CMakeLists.txt
++++ b/source/PYTHON/EXTENSIONS/CMakeLists.txt
+@@ -49,15 +49,15 @@ IF(BALL_PYTHON_SUPPORT)
+ IF(NOT APPLE)
+ INSTALL(TARGETS BALLCoremodule
+ COMPONENT "${COMPONENT_PYTHON_BINDINGS_BALL}"
+- RUNTIME DESTINATION ${BALL_RUNTIME_INSTALL_DIRECTORY}
+- LIBRARY DESTINATION ${BALL_LIBRARY_INSTALL_DIRECTORY}
++ RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
++ LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
+ )
+
+ IF(BALL_HAS_VIEW)
+ INSTALL(TARGETS VIEWmodule
+ COMPONENT "${COMPONENT_PYTHON_BINDINGS_VIEW}"
+- RUNTIME DESTINATION ${BALL_RUNTIME_INSTALL_DIRECTORY}
+- LIBRARY DESTINATION ${BALL_LIBRARY_INSTALL_DIRECTORY}
++ RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
++ LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
+ )
+ ENDIF()
+
+@@ -69,7 +69,7 @@ IF(BALL_PYTHON_SUPPORT)
+ IF (WIN32)
+ # INSTALL(FILES ${PYTHON_EXECUTABLE}
+ # COMPONENT "${COMPONENT_PYTHON_BINDINGS_BALL}"
+- # DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
++ # DESTINATION "${CMAKE_INSTALL_BINDIR}"
+ #)
+
+
+@@ -78,7 +78,7 @@ IF(BALL_PYTHON_SUPPORT)
+
+ INSTALL(DIRECTORY "${PYTHON_SITE_PACKAGES_DIR}"
+ COMPONENT "${COMPONENT_PYTHON_BINDINGS_BALL}"
+- DESTINATION "${BALL_RUNTIME_INSTALL_DIRECTORY}"
++ DESTINATION "${CMAKE_INSTALL_BINDIR}"
+ )
+ ENDIF ()
+ ENDIF()
+--
+2.17.0
+
+
+From 666ca19b00b14752e69c05600725724fb4f6d488 Mon Sep 17 00:00:00 2001
+From: Andreas Sturmlechner <andreas.sturmlechner@gmail.com>
+Date: Sat, 21 Apr 2018 22:02:14 +0200
+Subject: [PATCH 3/3] Install html doc into "html" dir
+
+---
+ cmake/BALLDoc.cmake | 2 +-
+ 1 file changed, 1 insertion(+), 1 deletion(-)
+
+diff --git a/cmake/BALLDoc.cmake b/cmake/BALLDoc.cmake
+index 2d7c17466..a070613c8 100644
+--- a/cmake/BALLDoc.cmake
++++ b/cmake/BALLDoc.cmake
+@@ -53,7 +53,7 @@ IF (DOXYGEN_FOUND)
+
+ IF(NOT APPLE)
+ INSTALL(DIRECTORY "${PROJECT_BINARY_DIR}/doc/html/"
+- DESTINATION "${CMAKE_INSTALL_DOCDIR}/BALL"
++ DESTINATION "${CMAKE_INSTALL_DOCDIR}/html"
+ COMPONENT "${COMPONENT_DOCUMENTATION_HTML}"
+ )
+ ENDIF()
+--
+2.17.0
+
diff --git a/sci-chemistry/ball/metadata.xml b/sci-chemistry/ball/metadata.xml
index 72d683b18460..37a132c1a1cf 100644
--- a/sci-chemistry/ball/metadata.xml
+++ b/sci-chemistry/ball/metadata.xml
@@ -1,11 +1,11 @@
<?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>
- <longdescription>
+ <maintainer type="project">
+ <email>sci-chemistry@gentoo.org</email>
+ <name>Gentoo Chemistry Project</name>
+ </maintainer>
+ <longdescription>
Rapid Software Prototyping can significantly reduce development times in the
field of Computational Molecular Biology and Molecular Modeling.
BALL (Biochemical Algorithms Library) is an application framework in C++ that
@@ -23,9 +23,15 @@ structures and algorithms.
Based on BALL we have developed a stand-alone tool for molecular visualization,
BALLView . BALLView makes the broad functionality available through an
integrated user-friendly GUI.
-</longdescription>
- <use>
- <flag name="sql">Include SQL database support</flag>
- <flag name="cuda">Include cuda support</flag>
- </use>
+ </longdescription>
+ <use>
+ <flag name="cuda">Include cuda support</flag>
+ <flag name="fftw">Build with <pkg>sci-libs/fftw</pkg> (switching BALL to GPL3)</flag>
+ <flag name="gui">Build VIEW library required for visualization and graphical user interfaces</flag>
+ <flag name="lpsolve">Enable support for the Mixed Integer Linear Programming solver</flag>
+ <flag name="sql">Include SQL database support</flag>
+ <flag name="openbabel">Enable support for <pkg>sci-chemistry/openbabel</pkg> (switching BALL to GPL3)</flag>
+ <flag name="svm">Enable support for the Support Vector Machine module</flag>
+ <flag name="webengine">Enable QtWebEngine support with Qt5 (requires gui)</flag>
+ </use>
</pkgmetadata>