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-rw-r--r--sci-chemistry/ball/Manifest1
-rw-r--r--sci-chemistry/ball/ball-1.4.2-r2.ebuild83
-rw-r--r--sci-chemistry/ball/files/ball-1.4.1-BondOrder.xml.patch30
-rw-r--r--sci-chemistry/ball/files/ball-1.4.1-missing-signed.patch26
-rw-r--r--sci-chemistry/ball/files/ball-1.4.1-multilib.patch39
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-Fix-compilation-of-sipModularWidget.patch40
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-PDBFile-Fix-compilation-with-gcc-4.8.patch28
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch44
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-fix-python-bindings.patch22
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-std-namespace-isnan.patch16
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-struct-swap-attribute.patch80
-rw-r--r--sci-chemistry/ball/files/ball-1.4.2-underlinking.patch16
-rw-r--r--sci-chemistry/ball/metadata.xml1
13 files changed, 0 insertions, 426 deletions
diff --git a/sci-chemistry/ball/Manifest b/sci-chemistry/ball/Manifest
index f8232c238a61..71590f52041b 100644
--- a/sci-chemistry/ball/Manifest
+++ b/sci-chemistry/ball/Manifest
@@ -1,2 +1 @@
-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-1.4.2-r2.ebuild b/sci-chemistry/ball/ball-1.4.2-r2.ebuild
deleted file mode 100644
index 89c96a194b67..000000000000
--- a/sci-chemistry/ball/ball-1.4.2-r2.ebuild
+++ /dev/null
@@ -1,83 +0,0 @@
-# Copyright 1999-2017 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-PYTHON_COMPAT=( python2_7 )
-
-inherit cmake-utils python-single-r1
-
-DESCRIPTION="Biochemical Algorithms Library"
-HOMEPAGE="http://www.ball-project.org/"
-SRC_URI="http://www.ball-project.org/Downloads/v${PV}/BALL-${PV}.tar.xz"
-
-SLOT="0"
-LICENSE="LGPL-2 GPL-3"
-KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
-IUSE="cuda mpi +python sql test +threads"
-
-REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )"
-
-RDEPEND="
- dev-cpp/eigen:3
- dev-libs/boost:=
- dev-qt/qtcore:4
- dev-qt/qtgui:4
- dev-qt/qtopengl:4
- dev-qt/qttest:4
- media-libs/glew:0
- sci-libs/fftw:3.0[threads?]
- sci-libs/gsl
- sci-libs/libsvm
- sci-mathematics/lpsolve
- virtual/opengl
- x11-libs/libX11
- cuda? ( dev-util/nvidia-cuda-toolkit )
- mpi? ( virtual/mpi )
- python? ( ${PYTHON_DEPS} )
- sql? ( dev-qt/qtsql:4 )"
-DEPEND="${RDEPEND}
- dev-python/sip
- sys-devel/bison
- virtual/yacc"
-
-S="${WORKDIR}"/BALL-${PV}
-
-PATCHES=(
- "${FILESDIR}"/${PN}-1.4.1-multilib.patch
- "${FILESDIR}"/${PN}-1.4.1-missing-signed.patch
- "${FILESDIR}"/${P}-PDBFile-Fix-compilation-with-gcc-4.8.patch
- "${FILESDIR}"/${P}-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch
- "${FILESDIR}"/${PN}-1.4.1-BondOrder.xml.patch
- "${FILESDIR}"/${P}-Fix-compilation-of-sipModularWidget.patch
- "${FILESDIR}"/${P}-underlinking.patch
- "${FILESDIR}"/${P}-fix-python-bindings.patch
- "${FILESDIR}"/${P}-std-namespace-isnan.patch
- "${FILESDIR}"/${P}-struct-swap-attribute.patch
-)
-
-pkg_setup() {
- use python && python-single-r1_pkg_setup
-}
-
-src_configure() {
- local mycmakeargs=(
- -DUSE_FFTW_THREADS=$(usex threads)
- -DMT_ENABLE_CUDA=$(usex cuda)
- -DMT_ENABLE_MPI=$(usex mpi)
- -DBALL_HAS_QTSQL=$(usex sql)
- -DBALL_PYTHON_SUPPORT=$(usex python)
- )
- cmake-utils_src_configure
-
- local i
- for i in "${S}"/data/*; do
- ln -sf "${i}" "${BUILD_DIR}"/source/TEST/ || die
- ln -sf "${i}" "${S}"/source/TEST/ || die
- done
-}
-
-src_compile() {
- cmake-utils_src_compile
- use test && cmake-utils_src_make build_tests
-}
diff --git a/sci-chemistry/ball/files/ball-1.4.1-BondOrder.xml.patch b/sci-chemistry/ball/files/ball-1.4.1-BondOrder.xml.patch
deleted file mode 100644
index 51e592806999..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.1-BondOrder.xml.patch
+++ /dev/null
@@ -1,30 +0,0 @@
- source/STRUCTURE/assignBondOrderProcessor.C | 2 +-
- source/TEST/AssignBondOrderProcessor_test.C | 2 +-
- 2 files changed, 2 insertions(+), 2 deletions(-)
-
-diff --git a/source/STRUCTURE/assignBondOrderProcessor.C b/source/STRUCTURE/assignBondOrderProcessor.C
-index f8acc4f..035fffc 100644
---- a/source/STRUCTURE/assignBondOrderProcessor.C
-+++ b/source/STRUCTURE/assignBondOrderProcessor.C
-@@ -100,7 +100,7 @@ namespace BALL
- const bool AssignBondOrderProcessor::Default::KEKULIZE_RINGS = true;
-
- const char* AssignBondOrderProcessor::Option::INIFile = "iniFile";
-- const String AssignBondOrderProcessor::Default::INIFile = "/bond_lengths/BondOrder.xml";
-+ const String AssignBondOrderProcessor::Default::INIFile = "bond_lengths/BondOrder.xml";
-
- const char* AssignBondOrderProcessor::Option::MAX_BOND_ORDER = "max_bond_order";
- const int AssignBondOrderProcessor::Default::MAX_BOND_ORDER = 3;
-diff --git a/source/TEST/AssignBondOrderProcessor_test.C b/source/TEST/AssignBondOrderProcessor_test.C
-index 6dfafcc..3405ef5 100644
---- a/source/TEST/AssignBondOrderProcessor_test.C
-+++ b/source/TEST/AssignBondOrderProcessor_test.C
-@@ -1834,7 +1834,7 @@ CHECK(Option::INIFile)
- // There is really not much we can test here, so we just execute the processor
- // to have a chance of catching bugs with valgrind if they sneak in
- AssignBondOrderProcessor abop;
-- abop.options.set(AssignBondOrderProcessor::Option::INIFile, "/bond_lengths/BondOrderGAFF.xml");
-+ abop.options.set(AssignBondOrderProcessor::Option::INIFile, "bond_lengths/BondOrderGAFF.xml");
-
- System sys40;
- MOL2File mol40(BALL_TEST_DATA_PATH(AssignBondOrderProcessor_test_C4_input.mol2), std::ios::in);
diff --git a/sci-chemistry/ball/files/ball-1.4.1-missing-signed.patch b/sci-chemistry/ball/files/ball-1.4.1-missing-signed.patch
deleted file mode 100644
index 6868871b3dc4..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.1-missing-signed.patch
+++ /dev/null
@@ -1,26 +0,0 @@
-Index: ball/include/BALL/DATATYPE/hashGrid.h
-===================================================================
---- ball.orig/include/BALL/DATATYPE/hashGrid.h 2011-12-09 13:49:26.000000000 +0100
-+++ ball/include/BALL/DATATYPE/hashGrid.h 2011-12-09 13:51:09.000000000 +0100
-@@ -37,7 +37,7 @@
- {
- namespace __private
- {
-- extern const char BALL_EXPORT neighbour_table_[27][3];
-+ extern const signed char BALL_EXPORT neighbour_table_[27][3];
- }
-
- template <typename Item> class HashGrid3;
-Index: ball/source/DATATYPE/hashGrid.C
-===================================================================
---- ball.orig/source/DATATYPE/hashGrid.C 2011-12-09 13:49:26.000000000 +0100
-+++ ball/source/DATATYPE/hashGrid.C 2011-12-09 13:50:49.000000000 +0100
-@@ -9,7 +9,7 @@
- {
- namespace __private
- {
-- const char neighbour_table_[27][3] =
-+ const signed char neighbour_table_[27][3] =
- {
- { 0, 0, 0 }, { 0, 0, -1 }, { 0, 0, 1 },
- { 0, -1, -1 }, { 0, -1, 0 }, { 0, -1, 1 },
diff --git a/sci-chemistry/ball/files/ball-1.4.1-multilib.patch b/sci-chemistry/ball/files/ball-1.4.1-multilib.patch
deleted file mode 100644
index 317c4029c678..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.1-multilib.patch
+++ /dev/null
@@ -1,39 +0,0 @@
-From 5b8f4e58b4e54bcdfa6f287e01f91d9dfd4e5a14 Mon Sep 17 00:00:00 2001
-From: Justin Lecher <jlec@gentoo.org>
-Date: Sun, 25 Mar 2012 14:12:21 +0200
-Subject: [PATCH] Correct path for multilib installation.
-
-Libraries should go into lib64 not lib on native 64bit. Therefore we can use the LIBDIR detected by cmake.
----
- CMakeLists.txt | 8 ++++----
- 1 files changed, 4 insertions(+), 4 deletions(-)
-
-diff --git a/CMakeLists.txt b/CMakeLists.txt
-index 940ebf4..7eb3db4 100644
---- a/CMakeLists.txt
-+++ b/CMakeLists.txt
-@@ -426,8 +426,8 @@ SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY "${PROJECT_BINARY_DIR}/bin")
- ## These variables are used in all install-targets
- IF (NOT ${CMAKE_SYSTEM_NAME} MATCHES "Darwin")
- SET(BALL_RUNTIME_INSTALL_DIRECTORY "bin")
-- SET(BALL_LIBRARY_INSTALL_DIRECTORY "lib")
-- SET(BALL_ARCHIVE_INSTALL_DIRECTORY "lib")
-+ SET(BALL_LIBRARY_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
-+ SET(BALL_ARCHIVE_INSTALL_DIRECTORY ${CMAKE_INSTALL_LIBDIR})
- SET(BALL_HEADER_INSTALL_DIRECTORY ".")
- SET(BALL_DATA_INSTALL_DIRECTORY "share/BALL")
- SET(BALL_DOCUMENTATION_INSTALL_DIRECTORY "share/BALL/doc")
-@@ -435,8 +435,8 @@ IF (NOT ${CMAKE_SYSTEM_NAME} MATCHES "Darwin")
- 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()
- ELSE()
- SET(BALL_BUNDLE_INSTALL_DIRECTORY "Applications")
---
-1.7.8.5
-
diff --git a/sci-chemistry/ball/files/ball-1.4.2-Fix-compilation-of-sipModularWidget.patch b/sci-chemistry/ball/files/ball-1.4.2-Fix-compilation-of-sipModularWidget.patch
deleted file mode 100644
index 3ec2f6e983a8..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-Fix-compilation-of-sipModularWidget.patch
+++ /dev/null
@@ -1,40 +0,0 @@
-From da49802f8620562f91ac2c947520dccd223ee26b Mon Sep 17 00:00:00 2001
-From: Andreas Hildebrandt <andreas.hildebrandt@uni-mainz.de>
-Date: Wed, 15 Jan 2014 17:42:01 +0100
-Subject: [PATCH] Fix compilation of sipModularWidget
-
----
- source/PYTHON/EXTENSIONS/VIEW/modularWidget.sip | 10 +++++-----
- 1 file changed, 5 insertions(+), 5 deletions(-)
-
-diff --git a/source/PYTHON/EXTENSIONS/VIEW/modularWidget.sip b/source/PYTHON/EXTENSIONS/VIEW/modularWidget.sip
-index 522b0ed..7b8ba3e 100644
---- a/source/PYTHON/EXTENSIONS/VIEW/modularWidget.sip
-+++ b/source/PYTHON/EXTENSIONS/VIEW/modularWidget.sip
-@@ -22,18 +22,18 @@ class ModularWidget
- static Size countInstances();
- static ModularWidget* getInstance(Position);
-
-- ModularWidget(const char* = "<ModularWidget>") throw();
-- ModularWidget(const ModularWidget&) throw();
-+ ModularWidget(const char* = "<ModularWidget>");
-+ ModularWidget(const ModularWidget&);
- ~ModularWidget() throw();
-
-- virtual void destroy() throw();
-- virtual void clear() throw();
-+// virtual void destroy();
-+ virtual void clear();
-
- static void registerWidget(ModularWidget*) throw(NullPointer);
- // virtual void initializeWidget(MainControl&);
- // virtual void finalizeWidget(MainControl&);
- virtual void checkMenu(MainControl&) throw();
--// virtual void initializePreferencesTab(Preferences&) throw();
-+// virtual void initializePreferencesTab(Preferences&);
- // virtual void finalizePreferencesTab(Preferences&) throw();
- virtual void applyPreferences() throw();
- virtual void fetchPreferences(INIFile&) throw();
---
-1.9.1
-
diff --git a/sci-chemistry/ball/files/ball-1.4.2-PDBFile-Fix-compilation-with-gcc-4.8.patch b/sci-chemistry/ball/files/ball-1.4.2-PDBFile-Fix-compilation-with-gcc-4.8.patch
deleted file mode 100644
index f6b8ff45fa7f..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-PDBFile-Fix-compilation-with-gcc-4.8.patch
+++ /dev/null
@@ -1,28 +0,0 @@
-From e7cc50705bed20e160bd4b637b23f57270f580a8 Mon Sep 17 00:00:00 2001
-From: Daniel Stoeckel <dstoeckel@bioinf.uni-sb.de>
-Date: Sat, 6 Apr 2013 01:06:55 +0200
-Subject: [PATCH] PDBFile:Fix compilation with gcc 4.8
-
-Apparently the automatic conversion from boost::shared_ptr<CrystalInfo>
-to boost::shared_ptr<PersistentObject> is no longer supported.
-Just change the type of the pointer and work around this issue.
----
- source/FORMAT/PDBFileDetails.C | 2 +-
- 1 file changed, 1 insertion(+), 1 deletion(-)
-
-diff --git a/source/FORMAT/PDBFileDetails.C b/source/FORMAT/PDBFileDetails.C
-index 97c2572..aedc5db 100644
---- a/source/FORMAT/PDBFileDetails.C
-+++ b/source/FORMAT/PDBFileDetails.C
-@@ -901,7 +901,7 @@ namespace BALL
- {
- if (!(current_protein_->hasProperty("CRYSTALINFO")))
- {
-- boost::shared_ptr<CrystalInfo> temp_ptr(new CrystalInfo());
-+ boost::shared_ptr<PersistentObject> temp_ptr(new CrystalInfo());
- current_protein_->setProperty(NamedProperty("CRYSTALINFO", temp_ptr));
- }
-
---
-1.9.1
-
diff --git a/sci-chemistry/ball/files/ball-1.4.2-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch b/sci-chemistry/ball/files/ball-1.4.2-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch
deleted file mode 100644
index 615a92290805..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch
+++ /dev/null
@@ -1,44 +0,0 @@
-From 1e76c9cb1920e9176b725269985c7eb43126d188 Mon Sep 17 00:00:00 2001
-From: Luis de la Garza <delagarza@informatik.uni-tuebingen.de>
-Date: Fri, 22 Nov 2013 15:18:55 +0100
-Subject: [PATCH] QT4_EXTRACT_OPTIONS CMake macro changed in CMake 2.8.12;
- fixed BALLMacros.cmake
-
----
- cmake/BALLMacros.cmake | 14 ++++++++++----
- 1 file changed, 10 insertions(+), 4 deletions(-)
-
-diff --git a/cmake/BALLMacros.cmake b/cmake/BALLMacros.cmake
-index f81ab89..0ac1b87 100644
---- a/cmake/BALLMacros.cmake
-+++ b/cmake/BALLMacros.cmake
-@@ -6,16 +6,22 @@
- ### minor modifications (marked with ## BALL ###)
- ###
- MACRO(QT4_WRAP_UI_BALL outfiles )
-- QT4_EXTRACT_OPTIONS(ui_files ui_options ${ARGN})
--
-- ### BALL ###
-+ # since 2.8.12 qt4_extract_options has an additional argument
-+ # copied fix from OpenMS
-+ IF(${CMAKE_VERSION} VERSION_LESS "2.8.12")
-+ QT4_EXTRACT_OPTIONS(ui_files ui_options ${ARGN})
-+ ELSE()
-+ QT4_EXTRACT_OPTIONS(ui_files ui_options ui_target ${ARGN})
-+ ENDIF()
-+
-+ ### BALL ###
- # create output directory (will not exist for out-of-source builds)
- FILE(MAKE_DIRECTORY ${PROJECT_BINARY_DIR}/include/BALL/VIEW/UIC/)
-
- FOREACH (it ${ui_files})
- GET_FILENAME_COMPONENT(outfile ${it} NAME_WE)
- GET_FILENAME_COMPONENT(infile ${it} ABSOLUTE)
-- ### BALL ###
-+ ### BALL ###
- SET(outfile ${PROJECT_BINARY_DIR}/include/BALL/VIEW/UIC/ui_${outfile}.h)
- ADD_CUSTOM_COMMAND(OUTPUT ${outfile}
- COMMAND ${QT_UIC_EXECUTABLE}
---
-1.9.1
-
diff --git a/sci-chemistry/ball/files/ball-1.4.2-fix-python-bindings.patch b/sci-chemistry/ball/files/ball-1.4.2-fix-python-bindings.patch
deleted file mode 100644
index a13ea2f36ec0..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-fix-python-bindings.patch
+++ /dev/null
@@ -1,22 +0,0 @@
-From 38a955ad9588817073a330c79d4b4476afcf69d5 Mon Sep 17 00:00:00 2001
-From: Daniel Stoeckel <dstoeckel@bioinf.uni-sb.de>
-Date: Thu, 14 Apr 2016 19:30:04 +0200
-Subject: [PATCH] Fix Python bindings for Box
-
----
- source/PYTHON/EXTENSIONS/VIEW/box.sip | 2 +-
- 1 file changed, 1 insertion(+), 1 deletion(-)
-
-diff --git a/source/PYTHON/EXTENSIONS/VIEW/box.sip b/source/PYTHON/EXTENSIONS/VIEW/box.sip
-index 341b1a4..592765e 100644
---- a/source/PYTHON/EXTENSIONS/VIEW/box.sip
-+++ b/source/PYTHON/EXTENSIONS/VIEW/box.sip
-@@ -6,7 +6,7 @@
-
- class Box
- : GeometricObject,
-- Vertex2
-+ Box3
- {
- %TypeHeaderCode
- #include <BALL/VIEW/PRIMITIVES/box.h>
diff --git a/sci-chemistry/ball/files/ball-1.4.2-std-namespace-isnan.patch b/sci-chemistry/ball/files/ball-1.4.2-std-namespace-isnan.patch
deleted file mode 100644
index cea6377b6a20..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-std-namespace-isnan.patch
+++ /dev/null
@@ -1,16 +0,0 @@
-Fix C++11 changes to isnan():
-* /var/tmp/portage/sci-chemistry/ball-1.4.2/work/BALL-1.4.2/source/MOLMEC/MINIMIZATION/shiftedLVMM.C:769:46: required from here
-* /var/tmp/portage/sci-chemistry/ball-1.4.2/work/BALL-1.4.2/include/BALL/MATHS/common.h:175:18: error: ‘isnan’ was not declared in this scope, and no declarations were found by argument-dependent lookup at the point of instantiation [-fpermissive]
-* return (isnan(t) != 0);
-
---- BALL-1.4.2/include/BALL/MATHS/common.h
-+++ BALL-1.4.2/include/BALL/MATHS/common.h
-@@ -172,7 +172,7 @@
- #elif defined(BALL_OS_DARWIN)
- return ( __inline_isnand(t) != 0);
- #else
-- return (isnan(t) != 0);
-+ return (std::isnan(t) != 0);
- #endif
- }
-
diff --git a/sci-chemistry/ball/files/ball-1.4.2-struct-swap-attribute.patch b/sci-chemistry/ball/files/ball-1.4.2-struct-swap-attribute.patch
deleted file mode 100644
index da334915f410..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-struct-swap-attribute.patch
+++ /dev/null
@@ -1,80 +0,0 @@
-Silence warning pollution due to misplaced attributes:
-* /var/tmp/portage/sci-chemistry/ball-1.4.2/work/BALL-1.4.2/include/BALL/COMMON/logStream.h:165:22: note: attribute for ‘struct BALL::LogStreamBuf::StreamStruct’ must follow the ‘struct’ keyword
-
---- BALL-1.4.2/include/BALL/COMMON/logStream.h
-+++ BALL-1.4.2/include/BALL/COMMON/logStream.h
-@@ -162,7 +162,7 @@
- virtual int overflow(int c = -1);
- //@}
-
-- BALL_EXPORT struct StreamStruct
-+ struct BALL_EXPORT StreamStruct
- {
- std::ostream* stream;
- string prefix;
---- BALL-1.4.2/include/BALL/FORMAT/MOL2File.h
-+++ BALL-1.4.2/include/BALL/FORMAT/MOL2File.h
-@@ -33,7 +33,7 @@
- public:
-
- /// A class used for storing TRIPOS sets
-- BALL_EXPORT struct SetStruct
-+ struct BALL_EXPORT SetStruct
- {
- String name;
- bool is_static;
-@@ -136,7 +136,7 @@
-
- bool containsAtomChilds_(AtomContainerConstIterator& frag_it);
-
-- BALL_EXPORT struct AtomStruct
-+ struct BALL_EXPORT AtomStruct
- {
- String name;
- Vector3 position;
-@@ -146,14 +146,14 @@
- float charge;
- };
-
-- BALL_EXPORT struct BondStruct
-+ struct BALL_EXPORT BondStruct
- {
- Position atom1;
- Position atom2;
- String type;
- };
-
-- BALL_EXPORT struct MoleculeStruct
-+ struct BALL_EXPORT MoleculeStruct
- {
- String name;
- Size number_of_atoms;
-@@ -166,7 +166,7 @@
- String comment;
- };
-
-- BALL_EXPORT struct SubstructureStruct
-+ struct BALL_EXPORT SubstructureStruct
- {
- String name;
- Size root_atom;
-@@ -178,7 +178,7 @@
- String comment;
- };
-
-- BALL_EXPORT struct CommentStruct
-+ struct BALL_EXPORT CommentStruct
- {
- String name;
- String value;
---- BALL-1.4.2/include/BALL/FORMAT/MOLFile.h
-+++ BALL-1.4.2/include/BALL/FORMAT/MOLFile.h
-@@ -41,7 +41,7 @@
- @see PropertyManager::setProperty
- @see PropertyManager::getProperty
- */
-- BALL_EXPORT struct Property
-+ struct BALL_EXPORT Property
- {
- ///
- static const String ATOM_MASS_DIFFERENCE;
diff --git a/sci-chemistry/ball/files/ball-1.4.2-underlinking.patch b/sci-chemistry/ball/files/ball-1.4.2-underlinking.patch
deleted file mode 100644
index 825f41978c13..000000000000
--- a/sci-chemistry/ball/files/ball-1.4.2-underlinking.patch
+++ /dev/null
@@ -1,16 +0,0 @@
- source/APPLICATIONS/BALLVIEW/CMakeLists.txt | 2 +-
- 1 file changed, 1 insertion(+), 1 deletion(-)
-
-diff --git a/source/APPLICATIONS/BALLVIEW/CMakeLists.txt b/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
-index 6d16212..f94ce76 100644
---- a/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
-+++ b/source/APPLICATIONS/BALLVIEW/CMakeLists.txt
-@@ -85,7 +85,7 @@ IF (UNIX)
- LIST(APPEND BALLVIEW_SUPPORT_LIBRARIES "pthread")
- ENDIF ()
-
--TARGET_LINK_LIBRARIES(BALLView BALL VIEW ${BALLVIEW_SUPPORT_LIBRARIES})
-+TARGET_LINK_LIBRARIES(BALLView BALL VIEW ${BALLVIEW_SUPPORT_LIBRARIES} X11)
-
- #Setup the translations
- INCLUDE(${CMAKE_SOURCE_DIR}/cmake/BALLViewTranslations.cmake)
diff --git a/sci-chemistry/ball/metadata.xml b/sci-chemistry/ball/metadata.xml
index 37a132c1a1cf..6f18011f2e04 100644
--- a/sci-chemistry/ball/metadata.xml
+++ b/sci-chemistry/ball/metadata.xml
@@ -29,7 +29,6 @@ integrated user-friendly GUI.
<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>