Version 1.6 of the TNG library.

Added functions to get the version of the header and the
library.

Improved version control of the library using CMake config and
version files.

Changed tng_util_frame_current_compression_get() return type
to double before the API is widely circulated (no release
has been made since that function was added).

Compiling compression functions into the tng_io library.

Uses BuildTNG.cmake instead of including add_subdirectories.

Change-Id: I5e4818736fb2632c06ca7df8e84ce9544bf2acaf

15 files changed, 110 insertions, 83 deletions

diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index d5f2bc0..88c0516 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -1,3 +1 @@
-add_subdirectory(compression)
-add_subdirectory(lib)
 add_subdirectory(tests)
diff --git a/src/compression/CMakeLists.txt b/src/compression/CMakeLists.txt
deleted file mode 100644
index 8bb0220..0000000
--- a/src/compression/CMakeLists.txt
+++ /dev/null
@@ -1,15 +0,0 @@
-set(source_files bwlzh.c bwt.c coder.c dict.c fixpoint.c huffman.c huffmem.c lz77.c merge_sort.c mtf.c rle.c tng_compress.c vals16.c warnmalloc.c widemuldiv.c xtc2.c xtc3.c)
-
-add_library(tng_compress ${source_files})
-
-# Append the required library dependencies
-if(UNIX)
-  target_link_libraries(tng_compress m)
-endif()
-
-# Use GNUInstallDirst to set paths on multiarch systems
-include(GNUInstallDirs)
-
-install(TARGETS tng_compress
-        LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
-        ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
diff --git a/src/lib/CMakeLists.txt b/src/lib/CMakeLists.txt
deleted file mode 100644
index 838f827..0000000
--- a/src/lib/CMakeLists.txt
+++ /dev/null
@@ -1,37 +0,0 @@
-set(source_files tng_io.c md5.c)
-if(TNG_BUILD_FORTRAN)
-  list(APPEND source_files tng_io_fortran.c)
-endif()
-
-add_library(tng_io ${source_files})
-
-# Now add source-file compilation properties to the source-file
-# targets
-
-if(HAVE_INTTYPES_H)
-  set_property(SOURCE tng_io.c APPEND PROPERTY COMPILE_DEFINITIONS USE_STD_INTTYPES_H)
-endif()
-if(TNG_BUILD_WITH_ZLIB)
-  set_property(SOURCE tng_io.c APPEND PROPERTY COMPILE_DEFINITIONS USE_ZLIB)
-endif()
-
-# This test is for md5. The TNG library itself determines the actual byte order -
-# not just if it is small or big endian.
-include(TestBigEndian)
-test_big_endian(TNG_INTEGER_BIG_ENDIAN)
-if(TNG_INTEGER_BIG_ENDIAN)
-  set_property(SOURCE md5.c APPEND PROPERTY COMPILE_DEFINITIONS TNG_INTEGER_BIG_ENDIAN)
-endif()
-
-# Append the required library dependencies
-target_link_libraries(tng_io tng_compress)
-if(TNG_BUILD_WITH_ZLIB)
-  target_link_libraries(tng_io ${ZLIB_LIBRARIES})
-endif()
-
-# Use GNUInstallDirst to set paths on multiarch systems
-include(GNUInstallDirs)
-
-install(TARGETS tng_io
-        LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR}
-        ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})
diff --git a/src/lib/md5.c b/src/lib/md5.c
index ea8bb37..f6a2391 100644
--- a/src/lib/md5.c
+++ b/src/lib/md5.c
@@ -75,7 +75,7 @@
   1999-05-03 lpd Original version.
  */
 
-#include "../../include/md5.h"
+#include "tng/md5.h"
 #include <string.h>
 
 #undef BYTE_ORDER	/* 1 = big-endian, -1 = little-endian, 0 = unknown */
diff --git a/src/lib/tng_io-config.cmake.in b/src/lib/tng_io-config.cmake.in
new file mode 100644
index 0000000..06c0470
--- /dev/null
+++ b/src/lib/tng_io-config.cmake.in
@@ -0,0 +1,13 @@
+# - Config file for the TNG_IO package
+# It defines the following variables
+#  TNG_IO_INCLUDE_DIRS - include directories for TNG_IO
+#  TNG_IO_LIBRARIES    - libraries to link against
+#  TNG_IO_DEFINITIONS - definitions used when compiling
+
+# Compute paths
+get_filename_component(TNG_IO_CMAKE_DIR "${CMAKE_CURRENT_LIST_FILE}" PATH)
+set(TNG_IO_INCLUDE_DIRS "@CONF_INCLUDE_DIRS@")
+set(TNG_IO_DEFINITIONS "@TNG_COMPILE_DEFS@")
+
+set(TNG_IO_LIBRARIES tng_io)
+
diff --git a/src/lib/tng_io-configVersion.cmake.in b/src/lib/tng_io-configVersion.cmake.in
new file mode 100644
index 0000000..8946f5e
--- /dev/null
+++ b/src/lib/tng_io-configVersion.cmake.in
@@ -0,0 +1,12 @@
+set(PACKAGE_VERSION "@TNG_IO_VERSION@")
+
+# Check whether the requested PACKAGE_FIND_VERSION is compatible
+if("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}")
+  set(PACKAGE_VERSION_COMPATIBLE FALSE)
+else()
+  set(PACKAGE_VERSION_COMPATIBLE TRUE)
+  if ("${PACKAGE_VERSION}" VERSION_EQUAL "${PACKAGE_FIND_VERSION}")
+    set(PACKAGE_VERSION_EXACT TRUE)
+  endif()
+endif()
+
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c
index 252cbb2..792be2e 100644
--- a/src/lib/tng_io.c
+++ b/src/lib/tng_io.c
@@ -22,10 +22,10 @@
 #include <zlib.h>
 #endif
 
-#include "../../include/tng_io.h"
-#include "../../include/md5.h"
-#include "../../include/compression/tng_compress.h"
-#include "../include/version.h"
+#include "tng/tng_io.h"
+#include "tng/md5.h"
+#include "compression/tng_compress.h"
+#include "tng/version.h"
 
 
 struct tng_bond {
@@ -7852,6 +7852,52 @@ static tng_function_status tng_atom_destroy(tng_atom_t atom)
     return(TNG_SUCCESS);
 }
 
+tng_function_status DECLSPECDLLEXPORT tng_version_major
+                (const tng_trajectory_t tng_data,
+                 int *version)
+{
+    (void)tng_data;
+
+    *version = TNG_VERSION_MAJOR;
+
+    return(TNG_SUCCESS);
+}
+
+tng_function_status DECLSPECDLLEXPORT tng_version_minor
+                (const tng_trajectory_t tng_data,
+                 int *version)
+{
+    (void)tng_data;
+
+    *version = TNG_VERSION_MINOR;
+
+    return(TNG_SUCCESS);
+}
+
+tng_function_status DECLSPECDLLEXPORT tng_version_patchlevel
+                (const tng_trajectory_t tng_data,
+                 int *patch_level)
+{
+    (void)tng_data;
+
+    *patch_level = TNG_VERSION_PATCHLEVEL;
+
+    return(TNG_SUCCESS);
+}
+
+tng_function_status DECLSPECDLLEXPORT tng_version
+                (const tng_trajectory_t tng_data,
+                 char *version,
+                 const int max_len)
+{
+    (void)tng_data;
+    TNG_ASSERT(version, "TNG library: version must not be a NULL pointer");
+
+    TNG_SNPRINTF(version, max_len, "%s", TNG_VERSION);
+
+    return(TNG_SUCCESS);
+}
+
 tng_function_status DECLSPECDLLEXPORT tng_molecule_add
                 (tng_trajectory_t tng_data,
                  const char *name,
@@ -18889,7 +18935,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_frame_current_compression_get
                 (tng_trajectory_t tng_data,
                  const int64_t block_id,
                  int64_t *codec_id,
-                 float *factor)
+                 double *factor)
 {
     tng_trajectory_frame_set_t frame_set;
     tng_particle_data_t p_data = 0;
@@ -18986,12 +19032,12 @@ tng_function_status DECLSPECDLLEXPORT tng_util_frame_current_compression_get
     if(block_type == TNG_PARTICLE_BLOCK_DATA)
     {
         *codec_id = p_data->codec_id;
-        *factor   = (float)p_data->compression_multiplier;
+        *factor   = p_data->compression_multiplier;
     }
     else if(block_type == TNG_NON_PARTICLE_BLOCK_DATA)
     {
         *codec_id = np_data->codec_id;
-        *factor   = (float)np_data->compression_multiplier;
+        *factor   = np_data->compression_multiplier;
     }
     return(TNG_SUCCESS);
 }
diff --git a/src/tests/compression/CMakeLists.txt b/src/tests/compression/CMakeLists.txt
index 075b06b..d29791b 100644
--- a/src/tests/compression/CMakeLists.txt
+++ b/src/tests/compression/CMakeLists.txt
@@ -4,8 +4,6 @@ add_definitions(-DTNG_COMPRESS_FILES_DIR="${CMAKE_BINARY_DIR}/test_tng_compress_
 
 file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/test_tng_compress_files)
 
-include_directories(${CMAKE_BINARY_DIR}/include/)
-
 set(number 0)
 set(numtests 78)
 
@@ -14,7 +12,7 @@ while( number LESS ${numtests})
 math( EXPR number "${number} + 1" )
 
 add_executable(test_tng_compress_gen${number} testsuite.c)
-target_link_libraries(test_tng_compress_gen${number} tng_compress)
+target_link_libraries(test_tng_compress_gen${number} tng_io)
 if(UNIX)
 target_link_libraries(test_tng_compress_gen${number} m)
 endif()
@@ -25,7 +23,7 @@ add_dependencies(test_tng_compress_gen${number} test${number}.h)
 set_property(TARGET test_tng_compress_gen${number} PROPERTY RUNTIME_OUTPUT_DIRECTORY ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/compression_tests)
 
 add_executable(test_tng_compress_read${number} testsuite.c)
-target_link_libraries(test_tng_compress_read${number} tng_compress)
+target_link_libraries(test_tng_compress_read${number} tng_io)
 if(UNIX)
 target_link_libraries(test_tng_compress_read${number} m)
 endif()
diff --git a/src/tests/compression/testsuite.c b/src/tests/compression/testsuite.c
index 2cfe05e..e266c11 100644
--- a/src/tests/compression/testsuite.c
+++ b/src/tests/compression/testsuite.c
@@ -8,7 +8,7 @@
 #include <stdlib.h>
 #include <string.h>
 #include <math.h>
-#include "../../../include/compression/tng_compress.h"
+#include "compression/tng_compress.h"
 #include TESTPARAM
 
 #ifdef TEST_FLOAT
diff --git a/src/tests/md_openmp.c b/src/tests/md_openmp.c
index fd9f4b0..aac8b3b 100644
--- a/src/tests/md_openmp.c
+++ b/src/tests/md_openmp.c
@@ -1,11 +1,11 @@
 #ifdef TNG_BUILD_OPENMP_EXAMPLES
 
-# include <stdlib.h>
-# include <stdio.h>
-# include <time.h>
-# include <math.h>
-# include <omp.h>
-#include "../../include/tng_io.h"
+#include <stdlib.h>
+#include <stdio.h>
+#include <time.h>
+#include <math.h>
+#include <omp.h>
+#include "tng/tng_io.h"
 
 int main ();
 void compute ( int np, int nd, double pos[], double vel[],
diff --git a/src/tests/md_openmp_util.c b/src/tests/md_openmp_util.c
index 8c332f3..9fe6c91 100644
--- a/src/tests/md_openmp_util.c
+++ b/src/tests/md_openmp_util.c
@@ -1,11 +1,11 @@
 #ifdef TNG_BUILD_OPENMP_EXAMPLES
 
-# include <stdlib.h>
-# include <stdio.h>
-# include <time.h>
-# include <math.h>
-# include <omp.h>
-#include "../../include/tng_io.h"
+#include <stdlib.h>
+#include <stdio.h>
+#include <time.h>
+#include <math.h>
+#include <omp.h>
+#include "tng/tng_io.h"
 
 int main ();
 void compute ( int np, int nd, float pos[], float vel[],
diff --git a/src/tests/tng_io_read_pos.c b/src/tests/tng_io_read_pos.c
index 2a0bb09..b29cec7 100644
--- a/src/tests/tng_io_read_pos.c
+++ b/src/tests/tng_io_read_pos.c
@@ -15,7 +15,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
-#include "../../include/tng_io.h"
+#include "tng/tng_io.h"
 
 int main(int argc, char **argv)
 {
diff --git a/src/tests/tng_io_read_pos_util.c b/src/tests/tng_io_read_pos_util.c
index 1667bae..b237dad 100644
--- a/src/tests/tng_io_read_pos_util.c
+++ b/src/tests/tng_io_read_pos_util.c
@@ -17,7 +17,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
-#include "../../include/tng_io.h"
+#include "tng/tng_io.h"
 
 int main(int argc, char **argv)
 {
diff --git a/src/tests/tng_io_testing.c b/src/tests/tng_io_testing.c
index dd13d92..e1e2726 100644
--- a/src/tests/tng_io_testing.c
+++ b/src/tests/tng_io_testing.c
@@ -15,7 +15,8 @@
 
 #include <stdlib.h>
 #include <string.h>
-#include "../../include/tng_io.h"
+#include "tng/tng_io.h"
+#include "tng/version.h"
 
 static tng_function_status tng_test_setup_molecules(tng_trajectory_t traj)
 {
@@ -595,6 +596,17 @@ int main()
     tng_trajectory_t traj;
     tng_function_status stat;
     char time_str[TNG_MAX_DATE_STR_LEN];
+    char version_str[TNG_MAX_STR_LEN];
+
+    tng_version(traj, version_str, TNG_MAX_STR_LEN);
+    if(strncmp(TNG_VERSION, version_str, TNG_MAX_STR_LEN) == 0)
+    {
+        printf("Test version control: \t\t\t\tSucceeded.\n");
+    }
+    else
+    {
+        printf("Test version control: \t\t\t\tFailed.\n");
+    }
 
     if(tng_trajectory_init(&traj) != TNG_SUCCESS)
     {
diff --git a/src/tests/tng_parallel_read.c b/src/tests/tng_parallel_read.c
index e2e23c6..44e8f79 100644
--- a/src/tests/tng_parallel_read.c
+++ b/src/tests/tng_parallel_read.c
@@ -13,7 +13,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
-#include "../../include/tng_io.h"
+#include "tng/tng_io.h"
 
 
 /* N.B. this code is for testing parallel reading of trajectory frame sets. The