mirror of https://github.com/TREX-CoE/qmckl.git
Add doc in dist, and text doc
This commit is contained in:
parent
e18655b147
commit
399a632bdd
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@ -7,5 +7,6 @@ src/auto/
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src/ltximg/
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src/qmckl.mod
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*.swp
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*.tar.gz
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31
Makefile
31
Makefile
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@ -8,9 +8,18 @@ package = qmckl
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version = 0.1-alpha
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tarname = $(package)
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distdir = $(tarname)-$(version)
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prefix = /usr/local
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QMCKL_ROOT=$(CURDIR)
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shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
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static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
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qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
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qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
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export prefix shared_lib static_lib qmckl_h qmckl_f
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all clean check:
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all clean doc check install uninstall:
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$(MAKE) -C src $@
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dist: $(distdir).tar.gz
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@ -21,16 +30,24 @@ $(distdir).tar.gz: $(distdir)
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rm -rf $(distdir)
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$(distdir): include/qmckl.h include/qmckl_f.f90 src/Makefile.generated FORCE
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$(distdir): $(qmckl_h) $(qmckl_f) $(static_lib) $(shared_lib) src/Makefile.generated doc FORCE
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mkdir -p $(distdir)
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mkdir -p $(distdir)/munit
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mkdir -p $(distdir)/src
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mkdir -p $(distdir)/include
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cp munit/munit.h munit/munit.c $(distdir)/munit
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cp src/*.c src/*.h src/*.f90 $(distdir)/src
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mkdir -p $(distdir)/share/qmckl/fortran
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mkdir -p $(distdir)/share/qmckl/doc/html/
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mkdir -p $(distdir)/share/qmckl/doc/text/
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mkdir -p $(distdir)/man
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cp munit/munit.h munit/munit.c $(distdir)/munit/
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cp src/*.c src/*.h src/*.f90 $(distdir)/src/
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cp src/Makefile.generated $(distdir)/src/Makefile
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cp include/* $(distdir)/include
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cp Makefile $(distdir)/
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cp docs/*.html $(distdir)/share/qmckl/doc/html/
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cp docs/*.css $(distdir)/share/qmckl/doc/html/
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cp docs/*.txt $(distdir)/share/qmckl/doc/text/
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cp share/qmckl/fortran/* $(distdir)/share/qmckl/fortran
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mkdir -p $(distdir)/lib
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@ -49,9 +66,9 @@ distcheck: $(distdir).tar.gz
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@echo "*** Package $(distdir).tar.gz is ready for distribution."
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include/qmckl.h include/qmckl_f.f90 src/Makefile.generated:
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$(MAKE) -C src
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$(qmckl_h) $(qmckl_f) $(static_lib) $(shared_lib) src/Makefile.generated:
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$(MAKE) -C src $@
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.PHONY: all clean dist FORCE
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.PHONY: all clean dist doc install uninstall FORCE
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@ -0,0 +1 @@
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*.txt
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@ -0,0 +1 @@
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qmckl_f.f90
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13
src/Makefile
13
src/Makefile
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@ -18,7 +18,7 @@ QMCKL_ROOT=$(shell dirname $(CURDIR))
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shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
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static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
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qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
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qmckl_f=$(QMCKL_ROOT)/include/qmckl_f.f90
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qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
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export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
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@ -92,18 +92,18 @@ endif
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# The Makefile.generated is the one that will be distributed with the library.
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.PHONY: clean shared static doc all check
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.PHONY: clean shared static doc all check install uninstall
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.SECONDARY: # Needed to keep the produced C and Fortran files
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$(shared_lib) $(static_lib): $(qmckl_h) $(qmckl_f) Makefile.generated
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$(shared_lib) $(static_lib) install uninstall: $(qmckl_h) $(qmckl_f) Makefile.generated
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$(MAKE) -f Makefile.generated $@
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$(qmckl_f) $(qmckl_h): Makefile.generated
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../tools/build_qmckl_h.sh
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$(QMCKL_ROOT)/tools/build_qmckl_h.sh
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shared: $(shared_lib)
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static: $(static_lib)
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all: shared static doc
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all: shared static doc check
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check: $(static_lib)
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$(MAKE) -f Makefile.generated check
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@ -125,5 +125,4 @@ Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURC
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.SUFFIXES: .org .c
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.org.c:
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../tools/tangle.sh $<
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$(QMCKL_ROOT)/tools/tangle.sh $<
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@ -2,19 +2,19 @@
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#+PROPERTY: comments org
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#+SETUPFILE: ../docs/theme.setup
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# -*- mode: org -*-
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* Using QMCkl
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The =qmckl.h= header file has to be included in C codes when
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QMCkl functions are used:
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The =qmckl.h= header file installed in the =${prefix}/include= directory
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has to be included in C codes when QMCkl functions are used:
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#+begin_src c :tangle no
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#include "qmckl.h"
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#+end_src
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In Fortran programs, the =qmckl_f.f90= interface file should be
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included in the source code using the library, and the Fortran codes
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should use the ~qmckl~ module as
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In Fortran programs, the =qmckl_f.f90= installed in
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=${prefix}/share/qmckl/fortran= interface file should be copied in the source
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code using the library, and the Fortran codes should use the ~qmckl~ module as
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#+begin_src f90 :tangle no
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use qmckl
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@ -23,7 +23,7 @@ use qmckl
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Both files are located in the =include/= directory.
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* Developing in QMCkl
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** Literate programming
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In a traditional source code, most of the lines of source files of a program
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@ -115,7 +115,7 @@ Both files are located in the =include/= directory.
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[[http://fortranwiki.org/fortran/show/Generating+C+Interfaces][this link]].
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** Coding rules
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The authors should follow the recommendations of the C99
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[[https://wiki.sei.cmu.edu/confluence/display/c/SEI+CERT+C+Coding+Standard][SEI+CERT C Coding Standard]].
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@ -186,7 +186,7 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
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The internal structure of the context is not specified, to give a
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maximum of freedom to the different implementations. Modifying
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the state is done by setters and getters, prefixed by
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=qmckl_set_= an =qmckl_get_=.
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=qmckl_set_= an =qmckl_get_=.
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** Headers
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@ -222,7 +222,7 @@ cppcheck --addon=cert --enable=all *.c &> cppcheck.out
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| =*_private_func.h= | Private | Function definitions |
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| =*fh_type.f90= | Public | Fortran type definitions |
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| =*fh_func.f90= | Public | Fortran function definitions |
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** Low-level functions
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Low-level functions are very simple functions which are leaves of
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@ -898,7 +898,7 @@ munit_assert(qmckl_ao_basis_provided(context));
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| double | P[n][ldp] | out | Array containing all the powers of ~X~ |
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| int64_t | ldp | in | Leading dimension of array ~P~ |
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*** Requirements:
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*** Requirements
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- ~context~ is not ~QMCKL_NULL_CONTEXT~
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- ~n~ > 0
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@ -1124,7 +1124,7 @@ munit_assert_int(0, ==, test_qmckl_ao_power(context));
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| double | VGL[n][ldv] | out | Value, gradients and Laplacian of the polynomials |
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| int64_t | ldv | in | Leading dimension of array ~VGL~ |
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*** Requirements:
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*** Requirements
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- ~context~ is not ~QMCKL_NULL_CONTEXT~
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- ~n~ > 0
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@ -1470,7 +1470,7 @@ munit_assert_int(0, ==, test_qmckl_ao_polynomial_vgl(context));
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| ~VGL(ldv,5)~ | output | Value, gradients and Laplacian of the Gaussians |
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| ~ldv~ | input | Leading dimension of array ~VGL~ |
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Requirements :
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Requirements
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- ~context~ is not 0
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- ~n~ > 0
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@ -85,7 +85,7 @@ QMCKL_ROOT=$(shell dirname $(CURDIR))
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shared_lib=$(QMCKL_ROOT)/lib/libqmckl.so
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static_lib=$(QMCKL_ROOT)/lib/libqmckl.a
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qmckl_h=$(QMCKL_ROOT)/include/qmckl.h
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qmckl_f=$(QMCKL_ROOT)/include/qmckl_f.f90
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qmckl_f=$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
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export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
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@ -164,10 +164,10 @@ endif
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The Makefile.generated is the one that will be distributed with the library.
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#+begin_src makefile
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.PHONY: clean shared static doc all check
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.PHONY: clean shared static doc all check install uninstall
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.SECONDARY: # Needed to keep the produced C and Fortran files
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$(shared_lib) $(static_lib): $(qmckl_h) $(qmckl_f) Makefile.generated
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$(shared_lib) $(static_lib) install uninstall: $(qmckl_h) $(qmckl_f) Makefile.generated
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$(MAKE) -f Makefile.generated $@
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$(qmckl_f) $(qmckl_h): Makefile.generated
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@ -175,7 +175,7 @@ $(qmckl_f) $(qmckl_h): Makefile.generated
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shared: $(shared_lib)
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static: $(static_lib)
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all: shared static doc
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all: shared static doc check
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check: $(static_lib)
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$(MAKE) -f Makefile.generated check
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@ -306,7 +306,7 @@ cat << EOF > ${OUTPUT}
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.POSIX:
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.SUFFIXES:
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PREFIX=/usr/local
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prefix=/usr/local
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CC=$CC
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CFLAGS=$CFLAGS -I../munit/
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@ -324,7 +324,7 @@ QMCKL_ROOT=\$(shell dirname \$(CURDIR))
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shared_lib=\$(QMCKL_ROOT)/lib/libqmckl.so
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static_lib=\$(QMCKL_ROOT)/lib/libqmckl.a
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qmckl_h=\$(QMCKL_ROOT)/include/qmckl.h
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qmckl_f=\$(QMCKL_ROOT)/include/qmckl_f.f90
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qmckl_f=\$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
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munit=\$(QMCKL_ROOT)/munit/munit.c
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shared: \$(shared_lib)
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@ -339,7 +339,7 @@ all: shared static
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# Test
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qmckl_f.o: \$(qmckl_f)
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\$(FC) \$(FFLAGS) -c \$(qmckl_f) -o \$@
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@ -357,6 +357,16 @@ check: test_qmckl test_qmckl_shared
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clean:
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\$(RM) -- *.o *.mod \$(shared_lib) \$(static_lib) test_qmckl
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install:
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install -d \$(prefix)/lib
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install -d \$(prefix)/include
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install -d \$(prefix)/share/qmckl/fortran
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install -d \$(prefix)/man
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install \$(shared_lib) \$(prefix)/lib
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install \$(static_lib) \$(prefix)/lib
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install \$(qmckl_h) \$(prefix)/include
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install \$(qmckl_f) \$(prefix)/share/qmckl/fortran
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.SUFFIXES: .c .f90 .o
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.c.o:
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@ -428,6 +438,7 @@ cat << EOF > ${OUTPUT}
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#include <stdlib.h>
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#include <stdint.h>
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#include <stdbool.h>
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EOF
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for i in ${HEADERS}
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@ -448,7 +459,7 @@ EOF
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HEADERS_TYPE="qmckl_*_fh_type.f90"
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HEADERS="qmckl_*_fh_func.f90"
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OUTPUT="../include/qmckl_f.f90"
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OUTPUT="../share/qmckl/fortran/qmckl_f.f90"
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cat << EOF > ${OUTPUT}
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!
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! <<qmckl-header>>
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@ -78,8 +78,8 @@ cat << EOF > ${OUTPUT}
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*
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*/
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#ifndef QMCKL_H
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#define QMCKL_H
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#ifndef __QMCKL_H__
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#define __QMCKL_H__
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#include <stdlib.h>
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#include <stdint.h>
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@ -105,7 +105,7 @@ EOF
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HEADERS_TYPE="qmckl_*_fh_type.f90"
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HEADERS="qmckl_*_fh_func.f90"
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OUTPUT="../include/qmckl_f.f90"
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OUTPUT="../share/qmckl/fortran/qmckl_f.f90"
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cat << EOF > ${OUTPUT}
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!
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! ------------------------------------------
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@ -21,7 +21,7 @@ OUTPUT=Makefile.generated
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${QMCKL_ROOT}/tools/tangle.sh *.org
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../tools/build_qmckl_h.sh
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${QMCKL_ROOT}/tools/build_qmckl_h.sh
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@ -66,7 +66,7 @@ cat << EOF > ${OUTPUT}
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.POSIX:
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.SUFFIXES:
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PREFIX=/usr/local
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prefix=/usr/local
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CC=$CC
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CFLAGS=$CFLAGS -I../munit/
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@ -84,7 +84,7 @@ QMCKL_ROOT=\$(shell dirname \$(CURDIR))
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shared_lib=\$(QMCKL_ROOT)/lib/libqmckl.so
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static_lib=\$(QMCKL_ROOT)/lib/libqmckl.a
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qmckl_h=\$(QMCKL_ROOT)/include/qmckl.h
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qmckl_f=\$(QMCKL_ROOT)/include/qmckl_f.f90
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qmckl_f=\$(QMCKL_ROOT)/share/qmckl/fortran/qmckl_f.f90
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munit=\$(QMCKL_ROOT)/munit/munit.c
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shared: \$(shared_lib)
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@ -99,7 +99,7 @@ all: shared static
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# Test
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qmckl_f.o: \$(qmckl_f)
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\$(FC) \$(FFLAGS) -c \$(qmckl_f) -o \$@
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@ -108,7 +108,7 @@ test_qmckl: test_qmckl.c \$(qmckl_h) \$(static_lib) \$(TESTS) \$(TESTS_F)
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\$(munit) \$(TESTS) \$(TESTS_F) \$(static_lib) \$(LIBS) test_qmckl.c -o \$@
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test_qmckl_shared: test_qmckl.c \$(qmckl_h) \$(shared_lib) \$(TESTS) \$(TESTS_F)
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\$(CC) \$(CFLAGS) -Wl,-rpath,$PWD/../lib -L../lib \
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\$(CC) \$(CFLAGS) -Wl,-rpath,\$(QMCKL_ROOT)/lib -L\$(QMCKL_ROOT)/lib \
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\$(munit) \$(TESTS) \$(TESTS_F) -lqmckl \$(LIBS) test_qmckl.c -o \$@
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check: test_qmckl test_qmckl_shared
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@ -117,6 +117,16 @@ check: test_qmckl test_qmckl_shared
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clean:
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\$(RM) -- *.o *.mod \$(shared_lib) \$(static_lib) test_qmckl
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install:
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install -d \$(prefix)/lib
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install -d \$(prefix)/include
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install -d \$(prefix)/share/qmckl/fortran
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install -d \$(prefix)/man
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install \$(shared_lib) \$(prefix)/lib
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install \$(static_lib) \$(prefix)/lib
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install \$(qmckl_h) \$(prefix)/include
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install \$(qmckl_f) \$(prefix)/share/qmckl/fortran
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.SUFFIXES: .c .f90 .o
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.c.o:
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