Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into... (b3bc5fd8) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+15 −0

Original line number	Diff line number	Diff line
		@@ -797,6 +797,21 @@ GenerateStyleHeaders(${LAMMPS_STYLE_HEADERS_DIR})
		include_directories(${LAMMPS_SOURCE_DIR})
		include_directories(${LAMMPS_STYLE_HEADERS_DIR})

		######################################
		# Generate lmpinstalledpkgs.h
		######################################
		set(temp "#ifndef LMP_INSTALLED_PKGS_H\n#define LMP_INSTALLED_PKGS_H\n")
		set(temp "${temp}const char * LAMMPS_NS::LAMMPS::installed_packages[] = {\n")
		foreach(PKG ${DEFAULT_PACKAGES} ${ACCEL_PACKAGES} ${OTHER_PACKAGES})
		if(PKG_${PKG})
		set(temp "${temp} \"${PKG}\",\n")
		endif()
		endforeach()
		set(temp "${temp} NULL\n};\n#endif\n\n")
		message(STATUS "Generating lmpinstalledpkgs.h...")
		file(WRITE "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h.tmp" "${temp}" )
		execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h.tmp" "${LAMMPS_STYLE_HEADERS_DIR}/lmpinstalledpkgs.h")

		###########################################
		# Actually add executable and lib to build
		############################################

python/lammps.py

+30 −6

Original line number	Diff line number	Diff line
		@@ -209,6 +209,7 @@ class lammps(object):
		self.c_bigint = get_ctypes_int(self.extract_setting("bigint"))
		self.c_tagint = get_ctypes_int(self.extract_setting("tagint"))
		self.c_imageint = get_ctypes_int(self.extract_setting("imageint"))
		self._installed_packages = None

		# shut-down LAMMPS instance

		@@ -562,13 +563,36 @@ class lammps(object):
		shrinkexceed)

		@property
		def uses_exceptions(self):
		def has_exceptions(self):
		""" Return whether the LAMMPS shared library was compiled with C++ exceptions handling enabled """
		try:
		if self.lib.lammps_has_error:
		return True
		except(AttributeError):
		return False
		return self.lib.lammps_config_has_exceptions() != 0

		@property
		def has_gzip_support(self):
		return self.lib.lammps_config_has_gzip_support() != 0

		@property
		def has_png_support(self):
		return self.lib.lammps_config_has_png_support() != 0

		@property
		def has_jpeg_support(self):
		return self.lib.lammps_config_has_jpeg_support() != 0

		@property
		def has_ffmpeg_support(self):
		return self.lib.lammps_config_has_ffmpeg_support() != 0

		@property
		def installed_packages(self):
		if self._installed_packages is None:
		self._installed_packages = []
		npackages = self.lib.lammps_config_package_count()
		sb = create_string_buffer(100)
		for idx in range(npackages):
		self.lib.lammps_config_package_name(idx, sb, 100)
		self._installed_packages.append(sb.value.decode())
		return self._installed_packages

		# -------------------------------------------------------------------------
		# -------------------------------------------------------------------------

src/.gitignore

+1 −0

Original line number	Diff line number	Diff line
		@@ -5,6 +5,7 @@
		/lmp_*

		/style_*.h
		/lmpinstalledpkgs.h

		/*_gpu.h
		/*_gpu.cpp

src/Makefile

+18 −1

Original line number	Diff line number	Diff line
		@@ -18,7 +18,7 @@ OBJDIR = Obj_$@
		OBJSHDIR = Obj_shared_$@

		SRC = $(wildcard *.cpp)
		INC = $(wildcard *.h)
		INC = $(filter-out lmpinstalledpkgs.h,$(wildcard *.h))
		OBJ = $(SRC:.cpp=.o)

		SRCLIB = $(filter-out main.cpp,$(SRC))
		@@ -150,6 +150,21 @@ help:
		for file in $$files; do head -1 $$file; done
		@echo ''


		lmpinstalledpkgs.h: $(SRC) $(INC)
		@echo 'Gathering installed package information (may take a little while)'
		@echo '#ifndef LMP_INSTALLED_PKGS_H' > lmpinstalledpkgs.tmp
		@echo '#define LMP_INSTALLED_PKGS_H' >> lmpinstalledpkgs.tmp
		@echo 'const char * LAMMPS_NS::LAMMPS::installed_packages[] = {' >> lmpinstalledpkgs.tmp
		@for p in $(PACKAGEUC) $(PACKUSERUC); do info=$$($(SHELL) Package.sh $$p installed); \
		[ -n "$$info" ] && echo "\"$$info\"" \| sed -e 's/".package $.$"/"\1",/' >> lmpinstalledpkgs.tmp \|\| :; done
		@echo ' NULL };' >> lmpinstalledpkgs.tmp
		@echo '#endif' >> lmpinstalledpkgs.tmp
		@if [ -f lmpinstalledpkgs.h ]; \
		then test "`diff --brief lmpinstalledpkgs.tmp lmpinstalledpkgs.h`" != "" && \
		mv lmpinstalledpkgs.tmp lmpinstalledpkgs.h \|\| rm lmpinstalledpkgs.tmp ; \
		else mv lmpinstalledpkgs.tmp lmpinstalledpkgs.h ; fi

		# Build LAMMPS in one of 4 modes
		# exe = exe with static compile in Obj_machine (default)
		# shexe = exe with shared compile in Obj_shared_machine
		@@ -163,6 +178,8 @@ help:
		-f MAKE/MACHINES/Makefile.$@ -o -f MAKE/MINE/Makefile.$@
		@if [ ! -d $(objdir) ]; then mkdir $(objdir); fi
		@$(SHELL) Make.sh style
		@$(MAKE) $(MFLAGS) lmpinstalledpkgs.h
		@echo 'Compiling LAMMPS for machine $@'
		@if [ -f MAKE/MACHINES/Makefile.$@ ]; \
		then cp MAKE/MACHINES/Makefile.$@ $(objdir)/Makefile; fi
		@if [ -f MAKE/OPTIONS/Makefile.$@ ]; \

src/Purge.list

+6 −0

Original line number	Diff line number	Diff line
		@@ -16,6 +16,12 @@ style_region.h
		style_neigh_bin.h
		style_neigh_pair.h
		style_neigh_stencil.h
		style_nbin.h
		style_npair.h
		style_nstencil.h
		style_ntopo.h
		# other auto-generated files
		lmpinstalledpkgs.h
		# deleted on 4 April 2018
		pair_kim_version.h
		# deleted on 15 December 2017

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