diff --git a/source/src/Makefile.am b/source/src/Makefile.am index 5a41380..1807821 100644 --- a/source/src/Makefile.am +++ b/source/src/Makefile.am @@ -21,6 +21,7 @@ modylas_mdtrj2xyz_SOURCES = version.f fmodules.f MAP_module.f \ parse_f.f parse_input.f mdff.f if HAVE_MPI bin_PROGRAMS += modylas +FCFLAGS += -DMPIPARA endif FCCOMPILE = $(FC) $(AM_FCFLAGS) $(FCFLAGS) FCLD = $(FC) diff --git a/source/src/Makefile.in b/source/src/Makefile.in index c0f5dca..7c1988f 100644 --- a/source/src/Makefile.in +++ b/source/src/Makefile.in @@ -1,9 +1,8 @@ -# Makefile.in generated by automake 1.11.1 from Makefile.am. +# Makefile.in generated by automake 1.16.1 from Makefile.am. # @configure_input@ -# Copyright (C) 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002, -# 2003, 2004, 2005, 2006, 2007, 2008, 2009 Free Software Foundation, -# Inc. +# Copyright (C) 1994-2018 Free Software Foundation, Inc. + # This Makefile.in is free software; the Free Software Foundation # gives unlimited permission to copy and/or distribute it, # with or without modifications, as long as this notice is preserved. @@ -16,6 +15,61 @@ @SET_MAKE@ VPATH = @srcdir@ +am__is_gnu_make = { \ + if test -z '$(MAKELEVEL)'; then \ + false; \ + elif test -n '$(MAKE_HOST)'; then \ + true; \ + elif test -n '$(MAKE_VERSION)' && test -n '$(CURDIR)'; then \ + true; \ + else \ + false; \ + fi; \ +} +am__make_running_with_option = \ + case $${target_option-} in \ + ?) ;; \ + *) echo "am__make_running_with_option: internal error: invalid" \ + "target option '$${target_option-}' specified" >&2; \ + exit 1;; \ + esac; \ + has_opt=no; \ + sane_makeflags=$$MAKEFLAGS; \ + if $(am__is_gnu_make); then \ + sane_makeflags=$$MFLAGS; \ + else \ + case $$MAKEFLAGS in \ + *\\[\ \ ]*) \ + bs=\\; \ + sane_makeflags=`printf '%s\n' "$$MAKEFLAGS" \ + | sed "s/$$bs$$bs[$$bs $$bs ]*//g"`;; \ + esac; \ + fi; \ + skip_next=no; \ + strip_trailopt () \ + { \ + flg=`printf '%s\n' "$$flg" | sed "s/$$1.*$$//"`; \ + }; \ + for flg in $$sane_makeflags; do \ + test $$skip_next = yes && { skip_next=no; continue; }; \ + case $$flg in \ + *=*|--*) continue;; \ + -*I) strip_trailopt 'I'; skip_next=yes;; \ + -*I?*) strip_trailopt 'I';; \ + -*O) strip_trailopt 'O'; skip_next=yes;; \ + -*O?*) strip_trailopt 'O';; \ + -*l) strip_trailopt 'l'; skip_next=yes;; \ + -*l?*) strip_trailopt 'l';; \ + -[dEDm]) skip_next=yes;; \ + -[JT]) skip_next=yes;; \ + esac; \ + case $$flg in \ + *$$target_option*) has_opt=yes; break;; \ + esac; \ + done; \ + test $$has_opt = yes +am__make_dryrun = (target_option=n; $(am__make_running_with_option)) +am__make_keepgoing = (target_option=k; $(am__make_running_with_option)) pkgdatadir = $(datadir)/@PACKAGE@ pkgincludedir = $(includedir)/@PACKAGE@ pkglibdir = $(libdir)/@PACKAGE@ @@ -35,13 +89,13 @@ POST_UNINSTALL = : bin_PROGRAMS = modylas-text2bin$(EXEEXT) modylas-mdtrj2xyz$(EXEEXT) \ $(am__EXEEXT_1) @HAVE_MPI_TRUE@am__append_1 = modylas +@HAVE_MPI_TRUE@am__append_2 = -DMPIPARA subdir = src -DIST_COMMON = $(srcdir)/Doxyfile.in $(srcdir)/Makefile.am \ - $(srcdir)/Makefile.in ACLOCAL_M4 = $(top_srcdir)/aclocal.m4 am__aclocal_m4_deps = $(top_srcdir)/configure.in am__configure_deps = $(am__aclocal_m4_deps) $(CONFIGURE_DEPENDENCIES) \ $(ACLOCAL_M4) +DIST_COMMON = $(srcdir)/Makefile.am $(am__DIST_COMMON) mkinstalldirs = $(install_sh) -d CONFIG_HEADER = $(top_builddir)/config.h CONFIG_CLEAN_FILES = Doxyfile @@ -80,18 +134,62 @@ am_modylas_text2bin_OBJECTS = version.$(OBJEXT) fmodules.$(OBJEXT) \ mdff.$(OBJEXT) modylas_text2bin_OBJECTS = $(am_modylas_text2bin_OBJECTS) modylas_text2bin_LDADD = $(LDADD) +AM_V_P = $(am__v_P_@AM_V@) +am__v_P_ = $(am__v_P_@AM_DEFAULT_V@) +am__v_P_0 = false +am__v_P_1 = : +AM_V_GEN = $(am__v_GEN_@AM_V@) +am__v_GEN_ = $(am__v_GEN_@AM_DEFAULT_V@) +am__v_GEN_0 = @echo " GEN " $@; +am__v_GEN_1 = +AM_V_at = $(am__v_at_@AM_V@) +am__v_at_ = $(am__v_at_@AM_DEFAULT_V@) +am__v_at_0 = @ +am__v_at_1 = DEFAULT_INCLUDES = -I.@am__isrc@ -I$(top_builddir) F77COMPILE = $(F77) $(AM_FFLAGS) $(FFLAGS) +AM_V_F77 = $(am__v_F77_@AM_V@) +am__v_F77_ = $(am__v_F77_@AM_DEFAULT_V@) +am__v_F77_0 = @echo " F77 " $@; +am__v_F77_1 = F77LD = $(F77) +AM_V_F77LD = $(am__v_F77LD_@AM_V@) +am__v_F77LD_ = $(am__v_F77LD_@AM_DEFAULT_V@) +am__v_F77LD_0 = @echo " F77LD " $@; +am__v_F77LD_1 = SOURCES = $(modylas_SOURCES) $(modylas_mdtrj2xyz_SOURCES) \ $(modylas_text2bin_SOURCES) DIST_SOURCES = $(modylas_SOURCES) $(modylas_mdtrj2xyz_SOURCES) \ $(modylas_text2bin_SOURCES) +am__can_run_installinfo = \ + case $$AM_UPDATE_INFO_DIR in \ + n|no|NO) false;; \ + *) (install-info --version) >/dev/null 2>&1;; \ + esac +am__tagged_files = $(HEADERS) $(SOURCES) $(TAGS_FILES) $(LISP) +# Read a list of newline-separated strings from the standard input, +# and print each of them once, without duplicates. Input order is +# *not* preserved. +am__uniquify_input = $(AWK) '\ + BEGIN { nonempty = 0; } \ + { items[$$0] = 1; nonempty = 1; } \ + END { if (nonempty) { for (i in items) print i; }; } \ +' +# Make sure the list of sources is unique. This is necessary because, +# e.g., the same source file might be shared among _SOURCES variables +# for different programs/libraries. +am__define_uniq_tagged_files = \ + list='$(am__tagged_files)'; \ + unique=`for i in $$list; do \ + if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \ + done | $(am__uniquify_input)` ETAGS = etags CTAGS = ctags +am__DIST_COMMON = $(srcdir)/Doxyfile.in $(srcdir)/Makefile.in DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST) ACLOCAL = @ACLOCAL@ AMTAR = @AMTAR@ +AM_DEFAULT_VERBOSITY = @AM_DEFAULT_VERBOSITY@ AUTOCONF = @AUTOCONF@ AUTOHEADER = @AUTOHEADER@ AUTOMAKE = @AUTOMAKE@ @@ -109,7 +207,7 @@ ECHO_T = @ECHO_T@ EXEEXT = @EXEEXT@ F77 = @F77@ FC = @FC@ -FCFLAGS = @FCFLAGS@ +FCFLAGS = @FCFLAGS@ $(am__append_2) INSTALL = @INSTALL@ INSTALL_DATA = @INSTALL_DATA@ INSTALL_PROGRAM = @INSTALL_PROGRAM@ @@ -127,6 +225,7 @@ PACKAGE_BUGREPORT = @PACKAGE_BUGREPORT@ PACKAGE_NAME = @PACKAGE_NAME@ PACKAGE_STRING = @PACKAGE_STRING@ PACKAGE_TARNAME = @PACKAGE_TARNAME@ +PACKAGE_URL = @PACKAGE_URL@ PACKAGE_VERSION = @PACKAGE_VERSION@ PATH_SEPARATOR = @PATH_SEPARATOR@ SET_MAKE = @SET_MAKE@ @@ -186,7 +285,7 @@ modylas_SOURCES = version.f fmodules.f main_f90.f parse_f.f app_f90.f \ diagonal.f matrix_inverse.f \ comm.f comm_2.f comm_3.f comm_fmm.f \ opt_integrate.f position_constrain.f \ - calc_center_of_mass.f shake_rattle_com.f + calc_center_of_mass.f shake_rattle_com.f modylas_text2bin_SOURCES = version.f fmodules.f MAP_module.f \ modylas-text2bin.f \ @@ -218,14 +317,13 @@ $(srcdir)/Makefile.in: $(srcdir)/Makefile.am $(am__configure_deps) echo ' cd $(top_srcdir) && $(AUTOMAKE) --foreign src/Makefile'; \ $(am__cd) $(top_srcdir) && \ $(AUTOMAKE) --foreign src/Makefile -.PRECIOUS: Makefile Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status @case '$?' in \ *config.status*) \ cd $(top_builddir) && $(MAKE) $(AM_MAKEFLAGS) am--refresh;; \ *) \ - echo ' cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe)'; \ - cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__depfiles_maybe);; \ + echo ' cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__maybe_remake_depfiles)'; \ + cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ $(am__maybe_remake_depfiles);; \ esac; $(top_builddir)/config.status: $(top_srcdir)/configure $(CONFIG_STATUS_DEPENDENCIES) @@ -240,14 +338,18 @@ Doxyfile: $(top_builddir)/config.status $(srcdir)/Doxyfile.in cd $(top_builddir) && $(SHELL) ./config.status $(subdir)/$@ install-binPROGRAMS: $(bin_PROGRAMS) @$(NORMAL_INSTALL) - test -z "$(bindir)" || $(MKDIR_P) "$(DESTDIR)$(bindir)" @list='$(bin_PROGRAMS)'; test -n "$(bindir)" || list=; \ + if test -n "$$list"; then \ + echo " $(MKDIR_P) '$(DESTDIR)$(bindir)'"; \ + $(MKDIR_P) "$(DESTDIR)$(bindir)" || exit 1; \ + fi; \ for p in $$list; do echo "$$p $$p"; done | \ sed 's/$(EXEEXT)$$//' | \ - while read p p1; do if test -f $$p; \ - then echo "$$p"; echo "$$p"; else :; fi; \ + while read p p1; do if test -f $$p \ + ; then echo "$$p"; echo "$$p"; else :; fi; \ done | \ - sed -e 'p;s,.*/,,;n;h' -e 's|.*|.|' \ + sed -e 'p;s,.*/,,;n;h' \ + -e 's|.*|.|' \ -e 'p;x;s,.*/,,;s/$(EXEEXT)$$//;$(transform);s/$$/$(EXEEXT)/' | \ sed 'N;N;N;s,\n, ,g' | \ $(AWK) 'BEGIN { files["."] = ""; dirs["."] = 1 } \ @@ -268,22 +370,26 @@ uninstall-binPROGRAMS: @list='$(bin_PROGRAMS)'; test -n "$(bindir)" || list=; \ files=`for p in $$list; do echo "$$p"; done | \ sed -e 'h;s,^.*/,,;s/$(EXEEXT)$$//;$(transform)' \ - -e 's/$$/$(EXEEXT)/' `; \ + -e 's/$$/$(EXEEXT)/' \ + `; \ test -n "$$list" || exit 0; \ echo " ( cd '$(DESTDIR)$(bindir)' && rm -f" $$files ")"; \ cd "$(DESTDIR)$(bindir)" && rm -f $$files clean-binPROGRAMS: -test -z "$(bin_PROGRAMS)" || rm -f $(bin_PROGRAMS) -modylas$(EXEEXT): $(modylas_OBJECTS) $(modylas_DEPENDENCIES) + +modylas$(EXEEXT): $(modylas_OBJECTS) $(modylas_DEPENDENCIES) $(EXTRA_modylas_DEPENDENCIES) @rm -f modylas$(EXEEXT) - $(F77LINK) $(modylas_OBJECTS) $(modylas_LDADD) $(LIBS) -modylas-mdtrj2xyz$(EXEEXT): $(modylas_mdtrj2xyz_OBJECTS) $(modylas_mdtrj2xyz_DEPENDENCIES) + $(AM_V_F77LD)$(F77LINK) $(modylas_OBJECTS) $(modylas_LDADD) $(LIBS) + +modylas-mdtrj2xyz$(EXEEXT): $(modylas_mdtrj2xyz_OBJECTS) $(modylas_mdtrj2xyz_DEPENDENCIES) $(EXTRA_modylas_mdtrj2xyz_DEPENDENCIES) @rm -f modylas-mdtrj2xyz$(EXEEXT) - $(F77LINK) $(modylas_mdtrj2xyz_OBJECTS) $(modylas_mdtrj2xyz_LDADD) $(LIBS) -modylas-text2bin$(EXEEXT): $(modylas_text2bin_OBJECTS) $(modylas_text2bin_DEPENDENCIES) + $(AM_V_F77LD)$(F77LINK) $(modylas_mdtrj2xyz_OBJECTS) $(modylas_mdtrj2xyz_LDADD) $(LIBS) + +modylas-text2bin$(EXEEXT): $(modylas_text2bin_OBJECTS) $(modylas_text2bin_DEPENDENCIES) $(EXTRA_modylas_text2bin_DEPENDENCIES) @rm -f modylas-text2bin$(EXEEXT) - $(F77LINK) $(modylas_text2bin_OBJECTS) $(modylas_text2bin_LDADD) $(LIBS) + $(AM_V_F77LD)$(F77LINK) $(modylas_text2bin_OBJECTS) $(modylas_text2bin_LDADD) $(LIBS) mostlyclean-compile: -rm -f *.$(OBJEXT) @@ -292,31 +398,20 @@ distclean-compile: -rm -f *.tab.c .f.o: - $(F77COMPILE) -c -o $@ $< + $(AM_V_F77)$(F77COMPILE) -c -o $@ $< .f.obj: - $(F77COMPILE) -c -o $@ `$(CYGPATH_W) '$<'` - -ID: $(HEADERS) $(SOURCES) $(LISP) $(TAGS_FILES) - list='$(SOURCES) $(HEADERS) $(LISP) $(TAGS_FILES)'; \ - unique=`for i in $$list; do \ - if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \ - done | \ - $(AWK) '{ files[$$0] = 1; nonempty = 1; } \ - END { if (nonempty) { for (i in files) print i; }; }'`; \ - mkid -fID $$unique -tags: TAGS - -TAGS: $(HEADERS) $(SOURCES) $(TAGS_DEPENDENCIES) \ - $(TAGS_FILES) $(LISP) + $(AM_V_F77)$(F77COMPILE) -c -o $@ `$(CYGPATH_W) '$<'` + +ID: $(am__tagged_files) + $(am__define_uniq_tagged_files); mkid -fID $$unique +tags: tags-am +TAGS: tags + +tags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files) set x; \ here=`pwd`; \ - list='$(SOURCES) $(HEADERS) $(LISP) $(TAGS_FILES)'; \ - unique=`for i in $$list; do \ - if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \ - done | \ - $(AWK) '{ files[$$0] = 1; nonempty = 1; } \ - END { if (nonempty) { for (i in files) print i; }; }'`; \ + $(am__define_uniq_tagged_files); \ shift; \ if test -z "$(ETAGS_ARGS)$$*$$unique"; then :; else \ test -n "$$unique" || unique=$$empty_fix; \ @@ -328,15 +423,11 @@ TAGS: $(HEADERS) $(SOURCES) $(TAGS_DEPENDENCIES) \ $$unique; \ fi; \ fi -ctags: CTAGS -CTAGS: $(HEADERS) $(SOURCES) $(TAGS_DEPENDENCIES) \ - $(TAGS_FILES) $(LISP) - list='$(SOURCES) $(HEADERS) $(LISP) $(TAGS_FILES)'; \ - unique=`for i in $$list; do \ - if test -f "$$i"; then echo $$i; else echo $(srcdir)/$$i; fi; \ - done | \ - $(AWK) '{ files[$$0] = 1; nonempty = 1; } \ - END { if (nonempty) { for (i in files) print i; }; }'`; \ +ctags: ctags-am + +CTAGS: ctags +ctags-am: $(TAGS_DEPENDENCIES) $(am__tagged_files) + $(am__define_uniq_tagged_files); \ test -z "$(CTAGS_ARGS)$$unique" \ || $(CTAGS) $(CTAGSFLAGS) $(AM_CTAGSFLAGS) $(CTAGS_ARGS) \ $$unique @@ -345,11 +436,29 @@ GTAGS: here=`$(am__cd) $(top_builddir) && pwd` \ && $(am__cd) $(top_srcdir) \ && gtags -i $(GTAGS_ARGS) "$$here" +cscopelist: cscopelist-am + +cscopelist-am: $(am__tagged_files) + list='$(am__tagged_files)'; \ + case "$(srcdir)" in \ + [\\/]* | ?:[\\/]*) sdir="$(srcdir)" ;; \ + *) sdir=$(subdir)/$(srcdir) ;; \ + esac; \ + for i in $$list; do \ + if test -f "$$i"; then \ + echo "$(subdir)/$$i"; \ + else \ + echo "$$sdir/$$i"; \ + fi; \ + done >> $(top_builddir)/cscope.files distclean-tags: -rm -f TAGS ID GTAGS GRTAGS GSYMS GPATH tags -distdir: $(DISTFILES) +distdir: $(BUILT_SOURCES) + $(MAKE) $(AM_MAKEFLAGS) distdir-am + +distdir-am: $(DISTFILES) @srcdirstrip=`echo "$(srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \ topsrcdirstrip=`echo "$(top_srcdir)" | sed 's/[].[^$$\\*]/\\\\&/g'`; \ list='$(DISTFILES)'; \ @@ -396,10 +505,15 @@ install-am: all-am installcheck: installcheck-am install-strip: - $(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \ - install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \ - `test -z '$(STRIP)' || \ - echo "INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'"` install + if test -z '$(STRIP)'; then \ + $(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \ + install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \ + install; \ + else \ + $(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \ + install_sh_PROGRAM="$(INSTALL_STRIP_PROGRAM)" INSTALL_STRIP_FLAG=-s \ + "INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'" install; \ + fi mostlyclean-generic: clean-generic: @@ -474,18 +588,21 @@ uninstall-am: uninstall-binPROGRAMS .MAKE: install-am install-strip -.PHONY: CTAGS GTAGS all all-am check check-am clean clean-binPROGRAMS \ - clean-generic ctags distclean distclean-compile \ - distclean-generic distclean-tags distdir dvi dvi-am html \ - html-am info info-am install install-am install-binPROGRAMS \ - install-data install-data-am install-dvi install-dvi-am \ - install-exec install-exec-am install-html install-html-am \ - install-info install-info-am install-man install-pdf \ - install-pdf-am install-ps install-ps-am install-strip \ - installcheck installcheck-am installdirs maintainer-clean \ - maintainer-clean-generic mostlyclean mostlyclean-compile \ - mostlyclean-generic pdf pdf-am ps ps-am tags uninstall \ - uninstall-am uninstall-binPROGRAMS +.PHONY: CTAGS GTAGS TAGS all all-am check check-am clean \ + clean-binPROGRAMS clean-generic cscopelist-am ctags ctags-am \ + distclean distclean-compile distclean-generic distclean-tags \ + distdir dvi dvi-am html html-am info info-am install \ + install-am install-binPROGRAMS install-data install-data-am \ + install-dvi install-dvi-am install-exec install-exec-am \ + install-html install-html-am install-info install-info-am \ + install-man install-pdf install-pdf-am install-ps \ + install-ps-am install-strip installcheck installcheck-am \ + installdirs maintainer-clean maintainer-clean-generic \ + mostlyclean mostlyclean-compile mostlyclean-generic pdf pdf-am \ + ps ps-am tags tags-am uninstall uninstall-am \ + uninstall-binPROGRAMS + +.PRECIOUS: Makefile parse_input.o: parse.o parse.o: hash.o