diff --git a/Makefile.am b/Makefile.am index 407d10df0c18c1ddb070daa8e9aa625ea3cb13be..f777f20c02953a750e90ac8e7767e82377d52cff 100644 --- a/Makefile.am +++ b/Makefile.am @@ -1,22 +1,31 @@ ACLOCAL_AMFLAGS = -I m4 SUBDIRS = +DIST_SUBDIRS = if BUILD_S_OMP SUBDIRS += sPuReMD +DIST_SUBDIRS += sPuReMD endif if BUILD_MPI SUBDIRS += PuReMD +DIST_SUBDIRS += PuReMD endif if BUILD_GPU SUBDIRS += PuReMD-GPU +DIST_SUBDIRS += PuReMD-GPU endif if BUILD_MPI_GPU SUBDIRS += PG-PuReMD +DIST_SUBDIRS += PG-PuReMD endif if BUILD_DOC SUBDIRS += doc +DIST_SUBDIRS += doc endif -dist-hook: rm -rf `find $(distdir) -name .git` +EXTRA_DIST = data environ tools + +dist-hook: + rm -rf `find $(distdir) -name .git` diff --git a/PG-PuReMD/Makefile.am b/PG-PuReMD/Makefile.am index 3d61101e8c97e13c640a7ba33c5ba82191dc4b8d..9c177cd81f429479040bd75dda2e3dc89601c0a0 100644 --- a/PG-PuReMD/Makefile.am +++ b/PG-PuReMD/Makefile.am @@ -28,6 +28,14 @@ bin_pg_puremd_SOURCES = src/allocate.c src/basic_comm.c src/ffield.c src/grid.c src/qEq.c src/bond_orders.c src/multi_body.c src/bonds.c src/valence_angles.c \ src/hydrogen_bonds.c src/torsion_angles.c src/nonbonded.c src/forces.c \ src/integrate.c src/init_md.c src/parallelreax.c +include_HEADERS = src/reax_defs.h src/reax_types.h \ + src/allocate.h src/basic_comm.h src/ffield.h src/grid.h src/list.h \ + src/lookup.h src/io_tools.h src/reset_tools.h src/restart.h src/random.h \ + src/tool_box.h src/traj.h src/analyze.h src/box.h src/system_props.h \ + src/control.h src/comm_tools.h src/geo_tools.h src/linear_solvers.h src/neighbors.h \ + src/qEq.h src/bond_orders.h src/multi_body.h src/bonds.h src/valence_angles.h \ + src/hydrogen_bonds.h src/torsion_angles.h src/nonbonded.h src/forces.h \ + src/integrate.h src/init_md.h bin_pg_puremd_LDADD = src/vector.o if USE_CUDA @@ -40,6 +48,15 @@ bin_pg_puremd_SOURCES += src/cuda_utils.cu src/dev_alloc.cu src/cuda_environment src/cuda_qEq.cu src/cuda_linear_solvers.cu src/matvec.cu src/dual_matvec.cu \ src/cuda_nonbonded.cu src/cuda_integrate.cu src/cuda_post_evolve.cu \ src/cuda_init_md.cu src/validation.cu src/cuda_lookup.cu +include_HEADERS += src/cuda_utils.h src/dev_alloc.h src/cuda_environment.h \ + src/dev_system_props.h src/reduction.h src/center_mass.h \ + src/cuda_copy.h src/cuda_reset_tools.h src/dev_list.h \ + src/cuda_neighbors.h src/cuda_bond_orders.h src/cuda_bonds.h \ + src/cuda_multi_body.h src/cuda_valence_angles.h \ + src/cuda_torsion_angles.h src/cuda_hydrogen_bonds.h src/cuda_forces.h \ + src/cuda_qEq.h src/cuda_linear_solvers.h src/matvec.h src/dual_matvec.h \ + src/cuda_nonbonded.h src/cuda_integrate.h src/cuda_post_evolve.h \ + src/cuda_init_md.h src/validation.h src/cuda_lookup.h # dummy source to cause C linking nodist_EXTRA_bin_pg_puremd_SOURCES = src/dummy.c diff --git a/PuReMD-GPU/Makefile.am b/PuReMD-GPU/Makefile.am index cc3b6a94f98b762b5fef91e39f6675adf28733ca..e2d60f76f7d9387b70b1566223a766a9027dd590 100644 --- a/PuReMD-GPU/Makefile.am +++ b/PuReMD-GPU/Makefile.am @@ -28,6 +28,18 @@ bin_puremd_gpu_SOURCES = src/analyze.c src/print_utils.c src/reset_utils.c src/p src/cuda_utils.cu src/cuda_copy.cu src/cuda_init.cu src/reduction.cu \ src/center_mass.cu src/helpers.cu src/validation.cu src/matvec.cu +include_HEADERS = src/mytypes.h src/analyze.h src/print_utils.h \ + src/reset_utils.h src/param.h src/pdb_tools.h \ + src/GMRES.h src/QEq.h src/allocate.h src/bond_orders.h \ + src/box.h src/forces.h src/four_body_interactions.h \ + src/grid.h src/init_md.h src/integrate.h src/list.h \ + src/lookup.h src/neighbors.h \ + src/restart.h src/single_body_interactions.h \ + src/system_props.h src/three_body_interactions.h \ + src/traj.h src/two_body_interactions.h src/vector.h \ + src/cuda_utils.h src/cuda_copy.h src/cuda_init.h src/reduction.h \ + src/center_mass.h src/helpers.h src/validation.h src/matvec.h + # dummy source to cause C linking nodist_EXTRA_bin_puremd_gpu_SOURCES = src/dummy.c diff --git a/PuReMD/Makefile.am b/PuReMD/Makefile.am index 6c248d2378875ab0000bb0936f316958255f3ce4..17643df14cf731708227a6aeec1f38fb92756740 100644 --- a/PuReMD/Makefile.am +++ b/PuReMD/Makefile.am @@ -8,5 +8,13 @@ bin_puremd_SOURCES = src/allocate.c src/basic_comm.c src/ffield.c src/grid.c src src/bonds.c src/valence_angles.c src/hydrogen_bonds.c src/torsion_angles.c src/nonbonded.c src/forces.c \ src/integrate.c src/init_md.c src/parallelreax.c +include_HEADERS = src/reax_defs.h src/reax_types.h \ + src/allocate.h src/basic_comm.h src/ffield.h src/grid.h src/list.h src/lookup.h \ + src/io_tools.h src/reset_tools.h src/restart.h src/random.h src/tool_box.h src/traj.h \ + src/vector.h src/analyze.h src/box.h src/system_props.h src/control.h src/comm_tools.h \ + src/geo_tools.h src/linear_solvers.h src/neighbors.h src/qEq.h src/bond_orders.h src/multi_body.h \ + src/bonds.h src/valence_angles.h src/hydrogen_bonds.h src/torsion_angles.h src/nonbonded.h src/forces.h \ + src/integrate.h src/init_md.h + bin_puremd_CFLAGS = $(AM_CFLAGS) $(MPI_CFLAGS) bin_puremd_LDFLAGS = $(AM_LDFLAGS) $(MPI_LDFLAGS) diff --git a/configure.ac b/configure.ac index a75256843d41ae4d1d47ac275e147b020aff39ed..11130d749c8ffc2399186535235bde1a7d188c5e 100644 --- a/configure.ac +++ b/configure.ac @@ -143,14 +143,16 @@ then export BUILD_SUPERLU_MT="${package_superlu_mt}" fi +AC_ARG_ENABLE([doc], + [AS_HELP_STRING([--enable-doc], + [enable documentation generation @<:@default: no@:>@])], + [pack_doc_enabled=${enableval}], [pack_doc_enabled=no]) AC_PROG_PDFLATEX -AM_CONDITIONAL([BUILD_DOC], [test "x${PDFLATEX}" != "x"]) +AM_CONDITIONAL([BUILD_DOC], [test "x${pack_doc_enabled}" = "xyes" && test "x${PDFLATEX}" != "x"]) +if test "x${pack_doc_enabled}" = "xyes"; then + AC_CONFIG_SUBDIRS([doc]) +fi AC_CONFIG_FILES([Makefile]) -if test "x${PDFLATEX}" != "x" -then - AC_CONFIG_FILES([doc/Makefile]) -fi - AC_OUTPUT diff --git a/sPuReMD/Makefile.am b/sPuReMD/Makefile.am index 22bfb4986956b78797bc6ceccbb4bbd64aabed72..e4f0c7b9f938780377e23cf495868d6f572833fa 100644 --- a/sPuReMD/Makefile.am +++ b/sPuReMD/Makefile.am @@ -8,3 +8,11 @@ bin_spuremd_SOURCES = src/ffield.c src/grid.c src/list.c src/lookup.c src/print_ src/single_body_interactions.c src/two_body_interactions.c \ src/three_body_interactions.c src/four_body_interactions.c src/forces.c \ src/integrate.c src/init_md.c src/testmd.c + +include_HEADERS = src/mytypes.h src/ffield.h src/grid.h src/list.h src/lookup.h src/print_utils.h \ + src/reset_utils.h src/restart.h src/random.h src/tool_box.h src/traj.h \ + src/vector.h src/allocate.h src/analyze.h src/box.h src/system_props.h src/control.h \ + src/geo_tools.h src/neighbors.h src/GMRES.h src/QEq.h src/bond_orders.h \ + src/single_body_interactions.h src/two_body_interactions.h \ + src/three_body_interactions.h src/four_body_interactions.h src/forces.h \ + src/integrate.h src/init_md.h