path: root/var/spack/repos/builtin/packages/modylas/makefile.patch

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