From 178230c85c4e8b25f7c531101c5c80dab6daff67 Mon Sep 17 00:00:00 2001 From: Tim Fenn Date: May 27 2018 18:04:42 +0000 Subject: update to 1.5 --- diff --git a/.gitignore b/.gitignore index 3f7b265..f5c581c 100644 --- a/.gitignore +++ b/.gitignore @@ -1,3 +1,4 @@ apbs-1.2.1-source.tar.gz /apbs-1.3-source.tar.gz /APBS-1.4-source.tar.gz +/apbs-1.5.tar.gz diff --git a/apbs-cmake.patch b/apbs-cmake.patch index 73a7fd3..c801f77 100644 --- a/apbs-cmake.patch +++ b/apbs-cmake.patch @@ -1,13 +1,13 @@ ---- CMakeLists.txt_orig 2014-06-18 01:28:14.361212184 -0700 -+++ CMakeLists.txt 2014-06-23 22:11:12.124786178 -0700 +--- CMakeLists.txt_orig 2018-05-20 13:00:17.451341064 -0400 ++++ CMakeLists.txt 2018-05-20 13:00:47.917440250 -0400 @@ -1,4 +1,5 @@ - cmake_minimum_required (VERSION 2.6) -+SET(CMAKE_POSITION_INDEPENDENT_CODE ON) + cmake_minimum_required (VERSION 2.8.7) ++set(CMAKE_POSITION_INDEPENDENT_CODE ON) ################################################################################ - # TODO: Add option to build documentation at compile time -@@ -56,10 +57,10 @@ - set(TOOLS_PATH ${APBS_ROOT}/tools) + # TODO: Add licensing and authorship information +@@ -63,10 +64,10 @@ + set(TOOLS_PATH ${APBS_BUILD}/tools) set(APBS_BINARY ${EXECUTABLE_OUTPUT_PATH}/apbs) -set(LIBRARY_INSTALL_PATH lib) @@ -18,40 +18,70 @@ -set(SHARE_INSTALL_PATH share/apbs) +set(SHARE_INSTALL_PATH ${SHARE_INSTALL_PREFIX}/apbs) - find_file( - CONTRIB_PATH -@@ -84,14 +85,14 @@ + set(APBS_LIBS) + set(APBS_LIB_DIRS) +@@ -78,7 +79,7 @@ + DOC "The path to the external git submodules" + ) + +-set(SYS_LIBPATHS /usr/lib64) ++#set(SYS_LIBPATHS /usr/lib64) + #list(APPEND SYS_LIBPATHS /usr/lib64) + + ################################################################################ +@@ -105,9 +106,9 @@ message(STATUS "Setting lookup paths for headers and libraries") -set(CMAKE_INCLUDE_PATH "${CMAKE_INCLUDE_PATH}") -list(APPEND CMAKE_INCLUDE_PATH /usr/include) -list(APPEND CMAKE_INCLUDE_PATH /usr/local/include) -- --set(SYS_LIBPATHS "") --list(APPEND SYS_LIBPATHS /usr/lib) --list(APPEND SYS_LIBPATHS /usr/local/lib) --list(APPEND SYS_LIBPATHS /lib/x86_64-linux-gnu) +#set(CMAKE_INCLUDE_PATH "${CMAKE_INCLUDE_PATH}") +#list(APPEND CMAKE_INCLUDE_PATH /usr/include) +#list(APPEND CMAKE_INCLUDE_PATH /usr/local/include) -+ -+#set(SYS_LIBPATHS "") -+#list(APPEND SYS_LIBPATHS /usr/lib) -+#list(APPEND SYS_LIBPATHS /usr/local/lib) -+#list(APPEND SYS_LIBPATHS /lib/x86_64-linux-gnu) - set(APBS_LIBS "") -@@ -854,29 +855,29 @@ + +@@ -259,11 +260,11 @@ + + if(NOT ENABLE_FETK) + # We'll use autotools to build MALOC if FETK is enabled. +- set(MALOC_ROOT ${EXTERNALS_PATH}/fetk/maloc) +- add_subdirectory(${MALOC_ROOT}) +- include_directories(${MALOC_ROOT}/src/base ${MALOC_ROOT}/src/vsys +- ${MALOC_ROOT}/src/vsh ${MALOC_ROOT}/src/psh) +- list(APPEND APBS_LIB_DIRS ${EXTERNALS_PATH}/fetk/maloc/lib) ++ #set(MALOC_ROOT ${EXTERNALS_PATH}/fetk/maloc) ++ # add_subdirectory(${MALOC_ROOT}) ++ #include_directories(${MALOC_ROOT}/src/base ${MALOC_ROOT}/src/vsys ++ # ${MALOC_ROOT}/src/vsh ${MALOC_ROOT}/src/psh) ++ #list(APPEND APBS_LIB_DIRS ${EXTERNALS_PATH}/fetk/maloc/lib) + list(APPEND APBS_LIBS maloc) + endif() + +@@ -736,12 +737,12 @@ # Set up additional directories to install # ################################################################################ -install( - DIRECTORY ${APBS_ROOT}/doc - DESTINATION ${SHARE_INSTALL_PATH} +- PATTERN "programmer" EXCLUDE +- PATTERN "CMakeLists.txt" EXCLUDE -) -- ++#install( ++# DIRECTORY ${APBS_ROOT}/doc ++# DESTINATION ${SHARE_INSTALL_PATH} ++# PATTERN "programmer" EXCLUDE ++# PATTERN "CMakeLists.txt" EXCLUDE ++#) + + if(BUILD_DOC) + install( +@@ -753,24 +754,24 @@ + ) + endif() + -install( - DIRECTORY ${APBS_ROOT}/examples - DESTINATION ${SHARE_INSTALL_PATH} @@ -71,11 +101,6 @@ - PATTERN "CMakeLists.txt" EXCLUDE -) +#install( -+# DIRECTORY ${APBS_ROOT}/doc -+# DESTINATION ${SHARE_INSTALL_PATH} -+#) -+ -+#install( +# DIRECTORY ${APBS_ROOT}/examples +# DESTINATION ${SHARE_INSTALL_PATH} +#) @@ -94,25 +119,26 @@ +# PATTERN "CMakeLists.txt" EXCLUDE +#) - - ---- src/CMakeLists.txt_orig 2014-06-23 19:57:35.108270115 -0700 -+++ src/CMakeLists.txt 2014-06-23 22:25:44.469683936 -0700 -@@ -32,10 +32,10 @@ + if(NOT "${APBS_ROOT}" STREQUAL "${APBS_BUILD}") + install( +--- src/CMakeLists.txt_orig 2018-05-20 13:00:20.518351049 -0400 ++++ src/CMakeLists.txt 2018-05-20 13:00:47.917440250 -0400 +@@ -32,11 +32,11 @@ message(STATUS "With external header files ${EXTERNAL_HEADERS}") message(STATUS "With internal header files ${INTERNAL_HEADERS}") message(STATUS "With library dependencies ${LIBRARY_DEPENDENCIES}") -- add_library(${LIBRARY_NAME} SHARED ${SOURCES} ${EXTERNAL_HEADERS} ${INTERNAL_HEADERS}) +- add_library(${LIBRARY_NAME} ${SOURCES} ${EXTERNAL_HEADERS} ${INTERNAL_HEADERS}) - target_link_libraries(${LIBRARY_NAME} ${LIBRARY_DEPENDENCIES}) + add_library(${LIBRARY_NAME} OBJECT ${SOURCES} ${EXTERNAL_HEADERS} ${INTERNAL_HEADERS}) + # target_link_libraries(${LIBRARY_NAME} ${LIBRARY_DEPENDENCIES}) + #add_dependencies(${LIBRARY_NAME} ${LIBRARY_DEPENDENCIES}) INSTALL(FILES ${EXTERNAL_HEADERS} DESTINATION ${HEADER_INSTALL_PATH}/${LIBRARY}) - INSTALL(TARGETS ${LIBRARY_NAME} DESTINATION ${LIBRARY_INSTALL_PATH}) + # INSTALL(TARGETS ${LIBRARY_NAME} DESTINATION ${LIBRARY_INSTALL_PATH}) list(APPEND APBS_INTERNAL_LIBS ${LIBRARY_NAME}) set(APBS_INTERNAL_LIBS ${APBS_INTERNAL_LIBS} PARENT_SCOPE) message(STATUS "Added ${LIBRARY_NAME}") -@@ -46,12 +46,19 @@ +@@ -47,6 +47,11 @@ add_subdirectory(generic) add_subdirectory(pmgc) add_subdirectory(mg) @@ -121,27 +147,38 @@ +SET_TARGET_PROPERTIES(apbs PROPERTIES SOVERSION "1") +target_link_libraries(apbs ${LIBRARY_DEPENDENCIES}) +INSTALL(TARGETS apbs LIBRARY DESTINATION ${LIBRARY_INSTALL_PATH}) + if(ENABLE_FETK) add_subdirectory(fem) - endif(ENABLE_FETK) +@@ -57,7 +62,7 @@ + + message(STATUS ${EXTERNAL_HEADERS}) -add_executable(apbs main.c apbs.h routines.c routines.h) --target_link_libraries(apbs ${APBS_LIBS} ${APBS_INTERNAL_LIBS}) +add_executable(apbs-bin main.c apbs.h routines.c routines.h) -+# target_link_libraries(apbs ${APBS_LIBS} ${APBS_INTERNAL_LIBS)} + message(***************************) + message(STATUS " ") + message(STATUS "APBS Libraries: ${APBS_LIBS}") +@@ -66,7 +71,8 @@ + message(***************************) + + #add_dependencies(apbs ${BEM_LIB}) +-target_link_libraries(apbs ${APBS_LIBS} ${APBS_INTERNAL_LIBS} ${APBS_LIBS}) +target_link_libraries(apbs-bin ${APBS_LIBS} apbs) +SET_TARGET_PROPERTIES(apbs-bin PROPERTIES OUTPUT_NAME apbs) + #add_dependencies(apbs ${APBS_LIBS} ${APBS_INTERNAL_LIBS} ${APBS_LIBS}) configure_file( - ${APBS_ROOT}/src/config/apbscfg.h.in -@@ -59,4 +66,4 @@ - ) +@@ -81,6 +87,6 @@ + endif() INSTALL(FILES apbs.h routines.h DESTINATION ${HEADER_INSTALL_PATH}) -INSTALL(TARGETS apbs DESTINATION ${EXECUTABLE_INSTALL_PATH}) +INSTALL(TARGETS apbs-bin DESTINATION ${EXECUTABLE_INSTALL_PATH}) ---- tools/manip/CMakeLists.txt_orig 2014-06-23 20:06:51.205468128 -0700 -+++ tools/manip/CMakeLists.txt 2014-06-23 22:17:44.103764752 -0700 + + message(STATUS ${CMAKE_C_FLAGS}) +--- tools/manip/CMakeLists.txt_orig 2018-05-20 13:00:31.831387880 -0400 ++++ tools/manip/CMakeLists.txt 2018-05-20 13:07:07.742714938 -0400 @@ -1,9 +1,10 @@ message(STATUS "Building manip") @@ -153,9 +190,9 @@ +#list(APPEND LIBS "apbs_mg") +#list(APPEND LIBS "apbs_pmgc") +list(APPEND LIBS "apbs") - if(FETK_ENALBED) + if(FETK_ENABLED) list(APPEND LIBS "apbs_fem") - endif(FETK_ENALBED) + endif(FETK_ENABLED) @@ -11,7 +12,9 @@ message(STATUS "libraries: ${LIBS}") @@ -168,8 +205,8 @@ +target_link_libraries(born ${LIBS} ${APBS_LIBS}) + +INSTALL(TARGETS coulomb born DESTINATION ${EXECUTABLE_INSTALL_PATH}) ---- tools/mesh/CMakeLists.txt_orig 2014-06-23 19:47:12.897442708 -0700 -+++ tools/mesh/CMakeLists.txt 2014-06-23 22:16:27.230896796 -0700 +--- tools/mesh/CMakeLists.txt_orig 2018-05-20 13:00:26.966372042 -0400 ++++ tools/mesh/CMakeLists.txt 2018-05-20 13:00:47.917440250 -0400 @@ -1,9 +1,10 @@ message(STATUS "Building mesh") @@ -181,9 +218,9 @@ +#list(APPEND LIBS "apbs_mg") +#list(APPEND LIBS "apbs_pmgc") +list(APPEND LIBS "apbs") - if(FETK_ENALBED) + if(FETK_ENABLED) list(APPEND LIBS "apbs_fem") - endif(FETK_ENALBED) + endif(FETK_ENABLED) @@ -11,46 +12,48 @@ message(STATUS "libraries: ${LIBS}") diff --git a/apbs.spec b/apbs.spec index bdc7ef6..1b3600d 100644 --- a/apbs.spec +++ b/apbs.spec @@ -2,20 +2,22 @@ Name: apbs Summary: Adaptive Poisson Boltzmann Solver -Version: 1.4 -Release: 8%{?dist} +Version: 1.5 +Release: 1%{?dist} # License of pmgZ, aqua and contrib/blas/mblasd.f is LGPLv2+, the rest is BSD. License: LGPLv2+ and BSD Group: Applications/Engineering URL: http://apbs.sourceforge.net/ -Source0: http://downloads.sourceforge.net/apbs/APBS-%{version}-source.tar.gz +Source0: https://github.com/Electrostatics/apbs-pdb2pqr/archive/apbs-%{version}.tar.gz Patch0: apbs-cmake.patch BuildRequires: cmake BuildRequires: doxygen +BuildRequires: graphviz BuildRequires: arpack-devel BuildRequires: atlas-devel BuildRequires: blas-devel BuildRequires: maloc-devel +BuildRequires: tex(latex) BuildRequires: zlib-devel %description @@ -62,20 +64,23 @@ development using the adaptive poisson boltzmann (APBS) solver library. %prep -%setup -q -n %{name} +%setup -q -n %{name}-pdb2pqr-apbs-%{version} +cd apbs %patch0 -p0 %build -cd build -%cmake -D BUILD_DOC:BOOL=ON .. +cd apbs +# %cmake -D BUILD_DOC:BOOL=ON . +%cmake -D BUILD_DOC:BOOL=OFF . make %{?_smp_mflags} +cd doc/programmer +doxygen %install rm -rf %{buildroot} -cd build +cd apbs make install DESTDIR=%{buildroot} -cd .. # tools for bin in %{buildroot}%{_bindir}/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} tools/manip/psize.py; do @@ -88,7 +93,7 @@ done %files %defattr(-,root,root,-) -%doc doc/license/LICENSE.txt README ChangeLog +%doc apbs/doc/license/LICENSE.txt apbs/doc/README apbs/doc/ChangeLog.md %{_bindir}/apbs %{_libdir}/libapbs*.so.* @@ -120,9 +125,12 @@ done %files doc %defattr(-,root,root,-) -%doc doc/programmer/html +%doc apbs/doc/programmer/html %changelog +* Sat May 19 2018 Tim Fenn - 1.5-1 +- update to 1.5 + * Wed Feb 07 2018 Fedora Release Engineering - 1.4-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild diff --git a/sources b/sources index f659863..5010b5a 100644 --- a/sources +++ b/sources @@ -1 +1 @@ -e0281bd44ffecb651e40687cdaa26361 APBS-1.4-source.tar.gz +SHA512 (apbs-1.5.tar.gz) = 4a117054653a738082f9a25a35c5a0605a1f225e682ff57ed4393689aefe1beffe4fe2364c164d07eb524a26add002b50e29eb297d690494448dac1cef72634d