Skip to content

D
dssp
Commit 7492b795 by Maarten L. Hekkelman
Options

Fixed installing in CCP4 context 

Fixed unit-test
parent f192ea59
Showing with 32 additions and 64 deletions
CMakeLists.txt
...@@ -55,7 +55,7 @@ if(NOT "$ENV{CCP4}" STREQUAL "") ...@@ -55,7 +55,7 @@ if(NOT "$ENV{CCP4}" STREQUAL "")
list(PREPEND CMAKE_MODULE_PATH "${CCP4}/Lib") list(PREPEND CMAKE_MODULE_PATH "${CCP4}/Lib")
list(APPEND CMAKE_PREFIX_PATH ${CCP4}) list(APPEND CMAKE_PREFIX_PATH ${CCP4})
if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
set(CMAKE_PREFIX_PATH ${CCP4}) set(CMAKE_INSTALL_PREFIX ${CCP4})
endif() endif()
endif() endif()
...@@ -81,19 +81,6 @@ if(MSVC) ...@@ -81,19 +81,6 @@ if(MSVC)
message(STATUS "The library and auxiliary files will be installed in $ENV{LOCALAPPDATA}/${PROJECT_NAME}") message(STATUS "The library and auxiliary files will be installed in $ENV{LOCALAPPDATA}/${PROJECT_NAME}")
set(CMAKE_INSTALL_PREFIX "$ENV{LOCALAPPDATA}/${PROJECT_NAME}" CACHE PATH "..." FORCE) set(CMAKE_INSTALL_PREFIX "$ENV{LOCALAPPDATA}/${PROJECT_NAME}" CACHE PATH "..." FORCE)
endif() endif()
# Find out the processor type for the target
if(${CMAKE_SYSTEM_PROCESSOR} STREQUAL "AMD64")
set(COFF_TYPE "x64")
elseif(${CMAKE_SYSTEM_PROCESSOR} STREQUAL "i386")
set(COFF_TYPE "x86")
elseif(${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ARM64")
set(COFF_TYPE "arm64")
else()
message(FATAL_ERROR "Unsupported or unknown processor type ${CMAKE_SYSTEM_PROCESSOR}")
endif()
set(COFF_SPEC "--coff=${COFF_TYPE}")
endif() endif()
if(UNIX AND NOT APPLE) if(UNIX AND NOT APPLE)
...@@ -106,34 +93,32 @@ endif() ...@@ -106,34 +93,32 @@ endif()
# Create a revision file, containing the current git version info # Create a revision file, containing the current git version info
find_package(Git) include(GetGitRevisionDescription)
if(GIT_FOUND AND EXISTS "${CMAKE_SOURCE_DIR}/.git") option(GENERATE_CUSTOM_VERSION "Generate a custom version string" OFF)
include(GetGitRevisionDescription) if(GIT-NOTFOUND OR HEAD-HASH-NOTFOUND OR NOT GENERATE_CUSTOM_VERSION)
get_git_head_revision(REFSPEC COMMITHASH) get_git_head_revision(REFSPEC COMMITHASH)
# Generate our own version string # Generate our own version string
git_describe_working_tree(BUILD_VERSION_STRING --match=build --dirty) git_describe_working_tree(BUILD_VERSION_STRING --match=build --dirty)
else() else()
message(WARNING "Git not found, cannot set version info")
SET(BUILD_VERSION_STRING ${PROJECT_VERSION}) SET(BUILD_VERSION_STRING ${PROJECT_VERSION})
endif() endif()
# generate version.h # generate version.h
include_directories(${CMAKE_BINARY_DIR} PRIVATE) include_directories(${CMAKE_BINARY_DIR} PRIVATE)
string(TIMESTAMP BUILD_DATE_TIME "%Y-%m-%d" UTC) string(TIMESTAMP BUILD_DATE_TIME "%Y-%m-%dT%H:%M:%SZ" UTC)
configure_file("${CMAKE_SOURCE_DIR}/src/revision.hpp.in" "${CMAKE_BINARY_DIR}/revision.hpp" @ONLY) configure_file("${CMAKE_SOURCE_DIR}/src/revision.hpp.in" "${CMAKE_BINARY_DIR}/revision.hpp" @ONLY)
# Optionally use mrc to create resources # Optionally use mrc to create resources
find_program(MRC mrc HINTS "$ENV{LOCALAPPDATA}/bin" "$ENV{LOCALAPPDATA}/mrc" "${CMAKE_INSTALL_PREFIX}/../mrc" "/usr/local/bin") find_package(Mrc)
if(MRC) if(MRC_FOUND)
option(USE_RSRC "Use mrc to create resources" ON) option(USE_RSRC "Use mrc to create resources" ON)
else() else()
message(WARNING "Not using resources since mrc was not found") message(WARNING "Not using resources since mrc was not found")
endif() endif()
if(USE_RSRC STREQUAL "ON") if(USE_RSRC)
set(USE_RSRC 1) set(USE_RSRC 1)
message("Using resources compiled with ${MRC}") message("Using resources compiled with ${MRC}")
...@@ -144,30 +129,22 @@ set(CMAKE_THREAD_PREFER_PTHREAD) ...@@ -144,30 +129,22 @@ set(CMAKE_THREAD_PREFER_PTHREAD)
set(THREADS_PREFER_PTHREAD_FLAG) set(THREADS_PREFER_PTHREAD_FLAG)
find_package(Threads) find_package(Threads)
set(Boost_DETAILED_FAILURE_MSG ON) # Note: use -DBoost_USE_STATIC_LIBS=ON to use boost static libraries
if(NOT BUILD_SHARED_LIBS)
set(Boost_USE_STATIC_LIBS ON)
endif()
find_package(cifpp 2.0.0 REQUIRED) find_package(cifpp 2.0.0 REQUIRED)
find_package(Boost COMPONENTS date_time) find_package(Boost COMPONENTS date_time)
if(USE_RSRC)
add_custom_command(OUTPUT mkdssp_rsrc.obj
COMMAND ${MRC} -o mkdssp_rsrc.obj ${CIFPP_SHARE_DIR}/mmcif_pdbx_v50.dic ${COFF_SPEC}
)
set(DSSP_RESOURCE mkdssp_rsrc.obj)
endif()
add_executable(mkdssp add_executable(mkdssp
${PROJECT_SOURCE_DIR}/src/dssp.cpp ${PROJECT_SOURCE_DIR}/src/dssp.cpp
${PROJECT_SOURCE_DIR}/src/dssp.hpp ${PROJECT_SOURCE_DIR}/src/dssp.hpp
${PROJECT_SOURCE_DIR}/src/mkdssp.cpp ${PROJECT_SOURCE_DIR}/src/mkdssp.cpp)
${DSSP_RESOURCE})
target_include_directories(mkdssp PRIVATE cifpp::cifpp ${CMAKE_SOURCE_DIR}/include ${cifpp_INCLUDE_DIRS} ${Boost_INCLUDE_DIRS} ${CMAKE_BINARY_DIR}) target_include_directories(mkdssp PRIVATE cifpp::cifpp ${CMAKE_SOURCE_DIR}/include ${cifpp_INCLUDE_DIRS} ${Boost_INCLUDE_DIRS} ${CMAKE_BINARY_DIR})
target_link_libraries(mkdssp PRIVATE cifpp::cifpp Boost::date_time ${CMAKE_THREAD_LIBS_INIT}) target_link_libraries(mkdssp PRIVATE cifpp::cifpp Boost::date_time Threads::Threads)
if(USE_RSRC)
mrc_target_resources(mkdssp ${CIFPP_SHARE_DIR}/mmcif_pdbx_v50.dic)
endif()
install(TARGETS ${PROJECT_NAME} install(TARGETS ${PROJECT_NAME}
RUNTIME DESTINATION ${BIN_INSTALL_DIR} RUNTIME DESTINATION ${BIN_INSTALL_DIR}
...@@ -187,7 +164,11 @@ endif() ...@@ -187,7 +164,11 @@ endif()
# test # test
add_executable(unit-test ${PROJECT_SOURCE_DIR}/test/unit-test.cpp ${PROJECT_SOURCE_DIR}/src/dssp.cpp ${DSSP_RESOURCE}) add_executable(unit-test ${PROJECT_SOURCE_DIR}/test/unit-test.cpp ${PROJECT_SOURCE_DIR}/src/dssp.cpp)
if(USE_RSRC)
mrc_target_resources(unit-test ${CIFPP_SHARE_DIR}/mmcif_pdbx_v50.dic)
endif()
target_include_directories(unit-test PRIVATE target_include_directories(unit-test PRIVATE
${CMAKE_CURRENT_SOURCE_DIR}/src ${CMAKE_CURRENT_SOURCE_DIR}/src
......
test/unit-test.cpp
...@@ -86,12 +86,14 @@ BOOST_AUTO_TEST_CASE(ut_dssp) ...@@ -86,12 +86,14 @@ BOOST_AUTO_TEST_CASE(ut_dssp)
BOOST_CHECK(reference.eof()); BOOST_CHECK(reference.eof());
} }
BOOST_AUTO_TEST_CASE(ut_mmcif_2)
BOOST_AUTO_TEST_CASE(ut_mmcif)
{ {
using namespace std::literals; using namespace std::literals;
using namespace cif::literals;
mmcif::File f("1cbs.cif.gz"); mmcif::File f("1cbs.cif.gz");
f.file().loadDictionary("mmcif_pdbx_v50");
mmcif::Structure structure(f, 1, mmcif::StructureOpenOptions::SkipHydrogen); mmcif::Structure structure(f, 1, mmcif::StructureOpenOptions::SkipHydrogen);
mmcif::DSSP dssp(structure, 3, true); mmcif::DSSP dssp(structure, 3, true);
...@@ -100,29 +102,14 @@ BOOST_AUTO_TEST_CASE(ut_mmcif) ...@@ -100,29 +102,14 @@ BOOST_AUTO_TEST_CASE(ut_mmcif)
annotateDSSP(structure, dssp, true, test); annotateDSSP(structure, dssp, true, test);
std::ifstream reference("1cbs-dssp.cif"); mmcif::File rf("1cbs-dssp.cif");
mmcif::Structure rs(rf, 1, mmcif::StructureOpenOptions::SkipHydrogen);
BOOST_ASSERT(reference.is_open());
std::string line_t, line_r;
for (int line_nr = 1; ; ++line_nr)
{
bool done_t = not std::getline(test, line_t);
bool done_r = not std::getline(reference, line_r);
BOOST_CHECK_EQUAL(done_r, done_t);
if (done_r)
break;
if (line_t != line_r)
std::cerr << line_nr << std::endl
<< line_t << std::endl
<< line_r << std::endl;
BOOST_CHECK(line_t == line_r); structure.datablock()["software"].erase("name"_key == "dssp");
} rs.datablock()["software"].erase("name"_key == "dssp");
// generate some output on different files:
cif::VERBOSE = 2;
BOOST_CHECK(test.eof()); BOOST_CHECK(structure.datablock() == rs.datablock());
BOOST_CHECK(reference.eof());
} }
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment