Merge pull request #1504 from akohlmey/collected-small-fixes (0b25d2fe) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+1 −6

Original line number	Diff line number	Diff line
		@@ -33,7 +33,6 @@ include(LAMMPSUtils)

		get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)


		include(PreventInSourceBuilds)

		if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CXX_FLAGS)
		@@ -51,6 +50,7 @@ check_for_autogen_files(${LAMMPS_SOURCE_DIR})
		# these need ot be done early (before further tests).
		#####################################################################
		include(CheckCCompilerFlag)
		include(CheckIncludeFileCXX)

		if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
		@@ -186,10 +186,6 @@ if(LAMMPS_EXCEPTIONS)
		set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_EXCEPTIONS")
		endif()

		option(CMAKE_VERBOSE_MAKEFILE "Verbose makefile" OFF)



		# "hard" dependencies between packages resulting
		# in an error instead of skipping over files
		pkg_depends(MPIIO MPI)
		@@ -198,7 +194,6 @@ pkg_depends(USER-LB MPI)
		pkg_depends(USER-PHONON KSPACE)
		pkg_depends(USER-SCAFACOS MPI)

		include(CheckIncludeFileCXX)
		find_package(OpenMP QUIET)

		# TODO: this is a temporary workaround until a better solution is found. AK 2019-05-30

+0 −1

Original line number	Diff line number	Diff line
		if(PKG_USER-INTEL)
		include(CheckIncludeFile)
		check_include_file_cxx(immintrin.h FOUND_IMMINTRIN)
		if(NOT FOUND_IMMINTRIN)
		message(FATAL_ERROR "immintrin.h header not found, Intel package won't work without it")

+6 −2

Original line number	Diff line number	Diff line
		@@ -67,7 +67,7 @@
		namespace LAMMPS_NS {
		// same as in variable.cpp
		enum {INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,GETENV,
		SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,PYTHON};
		SCALARFILE,ATOMFILE,FORMAT,EQUAL,ATOM,VECTOR,PYTHON,INTERNAL};

		enum {COMPUTES=1<<0,
		DUMPS=1<<1,
		@@ -106,7 +106,7 @@ static const int STYLES = ATOM_STYLES \| INTEGRATE_STYLES \| MINIMIZE_STYLES

		static const char *varstyles[] = {
		"index", "loop", "world", "universe", "uloop", "string", "getenv",
		"file", "atomfile", "format", "equal", "atom", "python", "(unknown)"};
		"file", "atomfile", "format", "equal", "atom", "vector", "python", "internal", "(unknown)"};

		static const char *mapstyles[] = { "none", "array", "hash" };

		@@ -599,6 +599,10 @@ void Info::command(int narg, char **arg)
		int ndata = 1;
		fprintf(out,"Variable[%3d]: %-10s, style = %-10s, def =",
		i,names[i],varstyles[style[i]]);
		if (style[i] == INTERNAL) {
		fprintf(out,"%g\n",input->variable->dvalue[i]);
		continue;
		}
		if ((style[i] != LOOP) && (style[i] != ULOOP))
		ndata = input->variable->num[i];
		for (int j=0; j < ndata; ++j)

+4 −4

Original line number	Diff line number	Diff line
		@@ -288,11 +288,11 @@ void Variable::set(int narg, char **arg)

		int maxcopy = strlen(arg[2]) + 1;
		int maxwork = maxcopy;
		char *scopy = new char[maxcopy];
		char *work = new char[maxwork];
		char scopy = (char ) memory->smalloc(maxcopy,"var:string/copy");
		char work = (char ) memory->smalloc(maxwork,"var:string/work");
		strcpy(scopy,arg[2]);
		input->substitute(scopy,work,maxcopy,maxwork,1);
		delete [] work;
		memory->sfree(work);

		int ivar = find(arg[0]);
		if (ivar >= 0) {
		@@ -310,7 +310,7 @@ void Variable::set(int narg, char **arg)
		data[nvar] = new char*[num[nvar]];
		copy(1,&scopy,data[nvar]);
		}
		delete [] scopy;
		memory->sfree(scopy);

		// GETENV
		// remove pre-existing var if also style GETENV (allows it to be reset)