Moved src/mdlib/ to src/gromacs/mdlib/.
authorTeemu Murtola <teemu.murtola@cbr.su.se>
Wed, 17 Nov 2010 19:42:53 +0000 (21:42 +0200)
committerTeemu Murtola <teemu.murtola@cbr.su.se>
Wed, 17 Nov 2010 19:42:53 +0000 (21:42 +0200)
All the files there now link into a libgromacs library.

88 files changed:
src/CMakeLists.txt
src/gromacs/CMakeLists.txt
src/gromacs/libgromacs.pc.cmakein [new file with mode: 0644]
src/gromacs/mdlib/CMakeLists.txt [new file with mode: 0644]
src/gromacs/mdlib/calcmu.c [moved from src/mdlib/calcmu.c with 100% similarity]
src/gromacs/mdlib/calcvir.c [moved from src/mdlib/calcvir.c with 100% similarity]
src/gromacs/mdlib/clincs.c [moved from src/mdlib/clincs.c with 100% similarity]
src/gromacs/mdlib/constr.c [moved from src/mdlib/constr.c with 100% similarity]
src/gromacs/mdlib/coupling.c [moved from src/mdlib/coupling.c with 100% similarity]
src/gromacs/mdlib/csettle.c [moved from src/mdlib/csettle.c with 100% similarity]
src/gromacs/mdlib/domdec.c [moved from src/mdlib/domdec.c with 100% similarity]
src/gromacs/mdlib/domdec_box.c [moved from src/mdlib/domdec_box.c with 100% similarity]
src/gromacs/mdlib/domdec_con.c [moved from src/mdlib/domdec_con.c with 100% similarity]
src/gromacs/mdlib/domdec_network.c [moved from src/mdlib/domdec_network.c with 100% similarity]
src/gromacs/mdlib/domdec_setup.c [moved from src/mdlib/domdec_setup.c with 100% similarity]
src/gromacs/mdlib/domdec_top.c [moved from src/mdlib/domdec_top.c with 100% similarity]
src/gromacs/mdlib/ebin.c [moved from src/mdlib/ebin.c with 100% similarity]
src/gromacs/mdlib/edsam.c [moved from src/mdlib/edsam.c with 100% similarity]
src/gromacs/mdlib/ewald.c [moved from src/mdlib/ewald.c with 100% similarity]
src/gromacs/mdlib/fft5d.c [moved from src/mdlib/fft5d.c with 100% similarity]
src/gromacs/mdlib/fft5d.h [moved from src/mdlib/fft5d.h with 100% similarity]
src/gromacs/mdlib/force.c [moved from src/mdlib/force.c with 100% similarity]
src/gromacs/mdlib/forcerec.c [moved from src/mdlib/forcerec.c with 100% similarity]
src/gromacs/mdlib/genborn.c [moved from src/mdlib/genborn.c with 100% similarity]
src/gromacs/mdlib/genborn_allvsall.c [moved from src/mdlib/genborn_allvsall.c with 100% similarity]
src/gromacs/mdlib/genborn_allvsall.h [moved from src/mdlib/genborn_allvsall.h with 100% similarity]
src/gromacs/mdlib/genborn_allvsall_sse2_double.c [moved from src/mdlib/genborn_allvsall_sse2_double.c with 100% similarity]
src/gromacs/mdlib/genborn_allvsall_sse2_double.h [moved from src/mdlib/genborn_allvsall_sse2_double.h with 100% similarity]
src/gromacs/mdlib/genborn_allvsall_sse2_single.c [moved from src/mdlib/genborn_allvsall_sse2_single.c with 100% similarity]
src/gromacs/mdlib/genborn_allvsall_sse2_single.h [moved from src/mdlib/genborn_allvsall_sse2_single.h with 100% similarity]
src/gromacs/mdlib/genborn_sse2_double.c [moved from src/mdlib/genborn_sse2_double.c with 100% similarity]
src/gromacs/mdlib/genborn_sse2_double.h [moved from src/mdlib/genborn_sse2_double.h with 100% similarity]
src/gromacs/mdlib/genborn_sse2_single.c [moved from src/mdlib/genborn_sse2_single.c with 100% similarity]
src/gromacs/mdlib/genborn_sse2_single.h [moved from src/mdlib/genborn_sse2_single.h with 100% similarity]
src/gromacs/mdlib/ghat.c [moved from src/mdlib/ghat.c with 100% similarity]
src/gromacs/mdlib/gmx_fft.c [moved from src/mdlib/gmx_fft.c with 100% similarity]
src/gromacs/mdlib/gmx_fft_acml.c [moved from src/mdlib/gmx_fft_acml.c with 100% similarity]
src/gromacs/mdlib/gmx_fft_fftpack.c [moved from src/mdlib/gmx_fft_fftpack.c with 100% similarity]
src/gromacs/mdlib/gmx_fft_fftw2.c [moved from src/mdlib/gmx_fft_fftw2.c with 100% similarity]
src/gromacs/mdlib/gmx_fft_fftw3.c [moved from src/mdlib/gmx_fft_fftw3.c with 100% similarity]
src/gromacs/mdlib/gmx_fft_mkl.c [moved from src/mdlib/gmx_fft_mkl.c with 100% similarity]
src/gromacs/mdlib/gmx_parallel_3dfft.c [moved from src/mdlib/gmx_parallel_3dfft.c with 100% similarity]
src/gromacs/mdlib/gmx_qhop_db.h [moved from src/mdlib/gmx_qhop_db.h with 100% similarity]
src/gromacs/mdlib/gmx_qhop_db_test.c [moved from src/mdlib/gmx_qhop_db_test.c with 100% similarity]
src/gromacs/mdlib/gmx_qhop_parm.c [moved from src/mdlib/gmx_qhop_parm.c with 100% similarity]
src/gromacs/mdlib/gmx_qhop_parm.h [moved from src/mdlib/gmx_qhop_parm.h with 100% similarity]
src/gromacs/mdlib/gmx_qhop_xml.c [moved from src/mdlib/gmx_qhop_xml.c with 100% similarity]
src/gromacs/mdlib/gmx_qhop_xml.h [moved from src/mdlib/gmx_qhop_xml.h with 100% similarity]
src/gromacs/mdlib/gmx_wallcycle.c [moved from src/mdlib/gmx_wallcycle.c with 100% similarity]
src/gromacs/mdlib/groupcoord.c [moved from src/mdlib/groupcoord.c with 100% similarity]
src/gromacs/mdlib/groupcoord.h [moved from src/mdlib/groupcoord.h with 100% similarity]
src/gromacs/mdlib/init.c [moved from src/mdlib/init.c with 100% similarity]
src/gromacs/mdlib/mdatom.c [moved from src/mdlib/mdatom.c with 100% similarity]
src/gromacs/mdlib/mdebin.c [moved from src/mdlib/mdebin.c with 100% similarity]
src/gromacs/mdlib/mdebin_bar.c [moved from src/mdlib/mdebin_bar.c with 100% similarity]
src/gromacs/mdlib/mdebin_bar.h [moved from src/mdlib/mdebin_bar.h with 100% similarity]
src/gromacs/mdlib/minimize.c [moved from src/mdlib/minimize.c with 100% similarity]
src/gromacs/mdlib/mvxvf.c [moved from src/mdlib/mvxvf.c with 100% similarity]
src/gromacs/mdlib/ns.c [moved from src/mdlib/ns.c with 100% similarity]
src/gromacs/mdlib/nsgrid.c [moved from src/mdlib/nsgrid.c with 100% similarity]
src/gromacs/mdlib/partdec.c [moved from src/mdlib/partdec.c with 100% similarity]
src/gromacs/mdlib/perf_est.c [moved from src/mdlib/perf_est.c with 100% similarity]
src/gromacs/mdlib/pme.c [moved from src/mdlib/pme.c with 100% similarity]
src/gromacs/mdlib/pme_pp.c [moved from src/mdlib/pme_pp.c with 100% similarity]
src/gromacs/mdlib/pppm.c [moved from src/mdlib/pppm.c with 100% similarity]
src/gromacs/mdlib/pull.c [moved from src/mdlib/pull.c with 100% similarity]
src/gromacs/mdlib/pull_rotation.c [moved from src/mdlib/pull_rotation.c with 100% similarity]
src/gromacs/mdlib/pullutil.c [moved from src/mdlib/pullutil.c with 100% similarity]
src/gromacs/mdlib/qm_gamess.c [moved from src/mdlib/qm_gamess.c with 100% similarity]
src/gromacs/mdlib/qm_gaussian.c [moved from src/mdlib/qm_gaussian.c with 100% similarity]
src/gromacs/mdlib/qm_mopac.c [moved from src/mdlib/qm_mopac.c with 100% similarity]
src/gromacs/mdlib/qm_orca.c [moved from src/mdlib/qm_orca.c with 100% similarity]
src/gromacs/mdlib/qmmm.c [moved from src/mdlib/qmmm.c with 100% similarity]
src/gromacs/mdlib/rf_util.c [moved from src/mdlib/rf_util.c with 100% similarity]
src/gromacs/mdlib/shakef.c [moved from src/mdlib/shakef.c with 100% similarity]
src/gromacs/mdlib/shellfc.c [moved from src/mdlib/shellfc.c with 100% similarity]
src/gromacs/mdlib/sim_util.c [moved from src/mdlib/sim_util.c with 100% similarity]
src/gromacs/mdlib/stat.c [moved from src/mdlib/stat.c with 100% similarity]
src/gromacs/mdlib/tables.c [moved from src/mdlib/tables.c with 100% similarity]
src/gromacs/mdlib/tgroup.c [moved from src/mdlib/tgroup.c with 100% similarity]
src/gromacs/mdlib/tpi.c [moved from src/mdlib/tpi.c with 100% similarity]
src/gromacs/mdlib/update.c [moved from src/mdlib/update.c with 100% similarity]
src/gromacs/mdlib/vcm.c [moved from src/mdlib/vcm.c with 100% similarity]
src/gromacs/mdlib/vsite.c [moved from src/mdlib/vsite.c with 100% similarity]
src/gromacs/mdlib/wall.c [moved from src/mdlib/wall.c with 100% similarity]
src/gromacs/mdlib/wnblist.c [moved from src/mdlib/wnblist.c with 100% similarity]
src/kernel/CMakeLists.txt
src/tools/CMakeLists.txt

index df00283fa30cb3ffaf82a213cacc2430b45aa2dd..9448fcba9db21bd3b37f25b62121c6f4494d0cf9 100644 (file)
@@ -2,7 +2,6 @@ configure_file(${CMAKE_CURRENT_SOURCE_DIR}/config.h.cmakein ${CMAKE_CURRENT_BINA
 
 add_subdirectory(gromacs)
 add_subdirectory(gmxlib)
-add_subdirectory(mdlib)
 add_subdirectory(kernel)
 
 if(NOT GMX_FAHCORE)
index f494d6800dfa7fb39b539eb44fbf252761877ffa..8996ec36680ff5359514938c448e95b27caea9ff 100644 (file)
@@ -1 +1,21 @@
 add_subdirectory(legacyheaders)
+add_subdirectory(mdlib)
+
+set(LIBGROMACS_SOURCES ${MDLIB_SOURCES})
+
+add_library(libgromacs ${LIBGROMACS_SOURCES})
+target_link_libraries(libgromacs gmx
+                      ${GMX_EXTRA_LIBRARIES} ${FFT_LIBRARIES} ${XML_LIBRARIES})
+set_target_properties(libgromacs PROPERTIES
+                      OUTPUT_NAME "gromacs${GMX_LIBS_SUFFIX}"
+                      SOVERSION ${SOVERSION}
+                      INSTALL_NAME_DIR "${LIB_INSTALL_DIR}")
+
+install(TARGETS libgromacs DESTINATION ${LIB_INSTALL_DIR} COMPONENT libraries)
+
+configure_file(${CMAKE_CURRENT_SOURCE_DIR}/libgromacs.pc.cmakein
+               ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc @ONLY)
+install(FILES ${CMAKE_CURRENT_BINARY_DIR}/libgromacs.pc
+        DESTINATION ${LIB_INSTALL_DIR}/pkgconfig
+        RENAME "libgromacs${GMX_LIBS_SUFFIX}.pc"
+        COMPONENT development)
diff --git a/src/gromacs/libgromacs.pc.cmakein b/src/gromacs/libgromacs.pc.cmakein
new file mode 100644 (file)
index 0000000..9723b46
--- /dev/null
@@ -0,0 +1,12 @@
+libdir=@LIB_INSTALL_DIR@
+includedir=@INCL_INSTALL_DIR@
+
+Name: libgromacs
+Description: Gromacs library
+URL: http://www.gromacs.org
+Version: @PROJECT_VERSION@
+Requires: libgmx@LIBSUFFIX@ @PKG_FFT@ @PKG_XML@
+Libs.private: -lm @CMAKE_THREAD_LIBS_INIT@
+Libs: -L${libdir} -lmd@LIBSUFFIX@ @PKG_FFT_LIBS@
+Cflags: -I${includedir} @PKG_CFLAGS@
+
diff --git a/src/gromacs/mdlib/CMakeLists.txt b/src/gromacs/mdlib/CMakeLists.txt
new file mode 100644 (file)
index 0000000..ed6abec
--- /dev/null
@@ -0,0 +1,7 @@
+file(GLOB MDLIB_SOURCES *.c)
+
+# Files        called xxx_test.c are test drivers with a main() function for 
+# module xxx.c, so they should not be included in the library
+file(GLOB_RECURSE NOT_MDLIB_SOURCES *_test.c)
+list(REMOVE_ITEM MDLIB_SOURCES ${NOT_MDLIB_SOURCES})
+set(MDLIB_SOURCES ${MDLIB_SOURCES} PARENT_SCOPE)
similarity index 100%
rename from src/mdlib/ebin.c
rename to src/gromacs/mdlib/ebin.c
similarity index 100%
rename from src/mdlib/edsam.c
rename to src/gromacs/mdlib/edsam.c
similarity index 100%
rename from src/mdlib/ewald.c
rename to src/gromacs/mdlib/ewald.c
similarity index 100%
rename from src/mdlib/fft5d.c
rename to src/gromacs/mdlib/fft5d.c
similarity index 100%
rename from src/mdlib/fft5d.h
rename to src/gromacs/mdlib/fft5d.h
similarity index 100%
rename from src/mdlib/force.c
rename to src/gromacs/mdlib/force.c
similarity index 100%
rename from src/mdlib/ghat.c
rename to src/gromacs/mdlib/ghat.c
similarity index 100%
rename from src/mdlib/init.c
rename to src/gromacs/mdlib/init.c
similarity index 100%
rename from src/mdlib/mvxvf.c
rename to src/gromacs/mdlib/mvxvf.c
similarity index 100%
rename from src/mdlib/ns.c
rename to src/gromacs/mdlib/ns.c
similarity index 100%
rename from src/mdlib/pme.c
rename to src/gromacs/mdlib/pme.c
similarity index 100%
rename from src/mdlib/pppm.c
rename to src/gromacs/mdlib/pppm.c
similarity index 100%
rename from src/mdlib/pull.c
rename to src/gromacs/mdlib/pull.c
similarity index 100%
rename from src/mdlib/qmmm.c
rename to src/gromacs/mdlib/qmmm.c
similarity index 100%
rename from src/mdlib/stat.c
rename to src/gromacs/mdlib/stat.c
similarity index 100%
rename from src/mdlib/tpi.c
rename to src/gromacs/mdlib/tpi.c
similarity index 100%
rename from src/mdlib/vcm.c
rename to src/gromacs/mdlib/vcm.c
similarity index 100%
rename from src/mdlib/vsite.c
rename to src/gromacs/mdlib/vsite.c
similarity index 100%
rename from src/mdlib/wall.c
rename to src/gromacs/mdlib/wall.c
index 3236d83b66f5e80817946ddbbb78d2b4263a2234..e224d7f9e95490cf79a0f3870d0b28fa54f0fd34 100644 (file)
@@ -40,7 +40,7 @@ set(MDRUN_SOURCES
     md_openmm.c)
 
 add_library(gmxpreprocess ${GMXPREPROCESS_SOURCES})
-target_link_libraries(gmxpreprocess md)
+target_link_libraries(gmxpreprocess libgromacs)
 set_target_properties(gmxpreprocess PROPERTIES OUTPUT_NAME "gmxpreprocess${GMX_LIBS_SUFFIX}" SOVERSION ${SOVERSION} INSTALL_NAME_DIR "${LIB_INSTALL_DIR}")
 
 
@@ -61,7 +61,7 @@ if(GMX_FAHCORE)
   add_library(fahcore ${MDRUN_SOURCES})
 else(GMX_FAHCORE)
 
-list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess md)
+list(APPEND GMX_EXTRA_LIBRARIES gmxpreprocess libgromacs)
 
 add_executable(grompp grompp.c)
 target_link_libraries(grompp ${GMX_EXTRA_LIBRARIES})
index 9274b1469070bcd22561311206f1d08281d44902..0e763402c1ebbfd4dd63a2b7943d42e43a72a889 100644 (file)
@@ -32,7 +32,7 @@ add_library(gmxana
             gmx_pme_error.c    )
 
 
-target_link_libraries(gmxana md gmx)
+target_link_libraries(gmxana gmx libgromacs)
 set_target_properties(gmxana PROPERTIES OUTPUT_NAME "gmxana${GMX_LIBS_SUFFIX}" SOVERSION ${SOVERSION} INSTALL_NAME_DIR "${LIB_INSTALL_DIR}")
 
 # List of programs with single corresponding .c source file,