diff options
author | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 13:49:04 -0700 |
---|---|---|
committer | Robin H. Johnson <robbat2@gentoo.org> | 2015-08-08 17:38:18 -0700 |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/ball | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
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/ball')
10 files changed, 339 insertions, 0 deletions
diff --git a/sci-chemistry/ball/Manifest b/sci-chemistry/ball/Manifest new file mode 100644 index 000000000000..f7919da9098f --- /dev/null +++ b/sci-chemistry/ball/Manifest @@ -0,0 +1 @@ +DIST BALL-1.4.2.tar.xz 16080664 SHA256 053931b2e050d7d5bceaa21ad3617a1ad0af00f94de56076ce02d544383cbf91 SHA512 c719af4ef2dc1076818d59b72350b704fbffea06bd44737519fb50d88da113ea509333d407f2330aa59bf1c4e6b81adfd3d28e05459f66d7c9707f8d85db7a87 WHIRLPOOL ba7ae340833ea5703d047a9dbc0ce50d9b9dc2b0047a0c6d9f9a17946956c684a09e0860f25c7214a2aa0adee9beb1d01eac38b0ab08259a2934f97cbef91379 diff --git a/sci-chemistry/ball/ball-1.4.2.ebuild b/sci-chemistry/ball/ball-1.4.2.ebuild new file mode 100644 index 000000000000..bc1005204c0b --- /dev/null +++ b/sci-chemistry/ball/ball-1.4.2.ebuild @@ -0,0 +1,83 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +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 +webkit" + +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 + dev-qt/qtwebkit:4 + media-libs/glew + 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? ( ${PYTHON_DEPS} ) + sql? ( dev-qt/qtsql:4 ) + webkit? ( dev-qt/qtwebkit:4 )" +DEPEND="${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 + ) + +pkg_setup() { + use python && python-single-r1_pkg_setup +} + +src_configure() { + local mycmakeargs=( + $(cmake-utils_use_use threads FFTW_THREADS) + $(cmake-utils_use cuda MT_ENABLE_CUDA) + $(cmake-utils_use mpi MT_ENABLE_MPI) + $(cmake-utils_use sql BALL_HAS_QTSQL) + $(cmake-utils_use_use webkit USE_QTWEBKIT) + $(cmake-utils_use python BALL_PYTHON_SUPPORT) + ) + cmake-utils_src_configure + local i + for i in "${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 new file mode 100644 index 000000000000..51e592806999 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.1-BondOrder.xml.patch @@ -0,0 +1,30 @@ + 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 new file mode 100644 index 000000000000..6868871b3dc4 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.1-missing-signed.patch @@ -0,0 +1,26 @@ +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 new file mode 100644 index 000000000000..317c4029c678 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.1-multilib.patch @@ -0,0 +1,39 @@ +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 new file mode 100644 index 000000000000..3ec2f6e983a8 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.2-Fix-compilation-of-sipModularWidget.patch @@ -0,0 +1,40 @@ +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 new file mode 100644 index 000000000000..f6b8ff45fa7f --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.2-PDBFile-Fix-compilation-with-gcc-4.8.patch @@ -0,0 +1,28 @@ +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 new file mode 100644 index 000000000000..615a92290805 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.2-QT4_EXTRACT_OPTIONS-CMake-macro-changed-in-CMake-2.8.patch @@ -0,0 +1,44 @@ +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-underlinking.patch b/sci-chemistry/ball/files/ball-1.4.2-underlinking.patch new file mode 100644 index 000000000000..825f41978c13 --- /dev/null +++ b/sci-chemistry/ball/files/ball-1.4.2-underlinking.patch @@ -0,0 +1,16 @@ + 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 new file mode 100644 index 000000000000..066e13dd4a53 --- /dev/null +++ b/sci-chemistry/ball/metadata.xml @@ -0,0 +1,32 @@ +<?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> + <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 +has been specifically designed for this purpose. It provides an extensive set +of data structures as well as classes for Molecular Mechanics, advanced +solvation methods, comparison and analysis of protein structures, file +import/export, and visualization . + +BALL has been carefully designed to be robust, easy to use, and open to +extensions. Especially its extensibility which results from an object-oriented +and generic programming approach distinguishes it from other software packages. +BALL is well suited to serve as a public repository for reliable data +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> + <flag name="webkit">Uses <pkg>dev-qt/qtwebkit</pkg> for drawing</flag> + </use> +</pkgmetadata> |