Removed iso-c-bindings in C. Will be done for Fortran

src/Makefile

@@ -6,7 +6,12 @@ FFLAGS=
 
 SOURCE_FILES=$(wildcard *.org)
 
-%.c %_f.f90 %.h: %.c.org
+.PHONY: clean
+
+%.c %.h: %.org
+	emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
+
+%.c %.h %_f.f90: %.org
 	emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
 
 %.o: %.c 
@@ -15,4 +20,7 @@ SOURCE_FILES=$(wildcard *.org)
 %.o: %.f90
 	$(FC) $(FFLAGS) -c $*.f90 -o $*.o
 
+clean:
+	rm -f qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h
+
 

src/README.org

@@ -2,16 +2,49 @@
 
 ** Introduction
 
-Source files are written in org-mode format, to provide useful
+   The main objective of present library is documentation. Therefore,
-comments and LaTex formulas close to the code. There exists multiple
+   literate programming is particularly adapted in this context.
-possibilities to convert org-mode files into different formats such as
+   Source files are written in org-mode format, to provide useful
-HTML or pdf.
+   comments and LaTex formulas close to the code. There exists multiple
+   possibilities to convert org-mode files into different formats such as
+   HTML or pdf.
+   For a tutorial on literate programming with org-mode, follow 
+   [[http://www.howardism.org/Technical/Emacs/literate-programming-tutorial.html][this link]].
 
-The code is extracted from the org files using Emacs in the =Makefile=,
+   The code is extracted from the org files using Emacs as a command-line
-and then the produced files are compiled.
+   tool in the =Makefile=, and then the produced files are compiled.
 
-For a better experience, editing can be done with Emacs. Note that
+*** Source code editing
-Emacs can behave like Vim when switched into ``Evil'' mode.
+
+    Any text editor can be used to edit org-mode files. For a better
+    user experience Emacs is recommended.
+    For users hating Emacs, it is good to know that Emacs can behave
+    like Vim when switched into ``Evil'' mode. There also exists
+    [[https://www.spacemacs.org][Spacemacs]] which is particularly well adapted to Vim users.
+
+    For users with a preference for Jupyter notebooks, the following
+    script can convert jupyter notebooks to org-mode files:
+
+    #+BEGIN_SRC sh tangle: nb_to_org.sh
+#!/bin/bash
+# $ nb_to_org.sh notebook.ipynb 
+# produces the org-mode file notebook.org 
+
+set -e
+
+nb=$(basename $1 .ipynb)
+jupyter nbconvert --to markdown ${nb}.ipynb --output ${nb}.md
+pandoc ${nb}.md -o ${nb}.org
+rm ${nb}.md
+    #+END_SRC
+
+    And pandoc can convert multiple markdown formats into org-mode.
+
+*** Writing in Fortran
+
+    The Fortran source files should provide a C interface using
+    iso-c-binding. The name of the Fortran source files should end
+    with =_f.f90= to be properly handled by the Makefile.
  
 ** Documentation
 

src/qmckl_context.org

@@ -1,7 +1,9 @@
 # -*- mode: org -*-
 
+#+TITLE: Context 
+
 This file is written in C because it is more natural to express the context in
-C than in Fortran. This file also produces the Fortran binding.
+C than in Fortran.
 
 
 #+BEGIN_SRC C :tangle qmckl_context.c
@@ -15,10 +17,12 @@ C than in Fortran. This file also produces the Fortran binding.
   is stored in the following data structure, which can't be seen
   outside of the library.
 
+  
   #+BEGIN_SRC C :tangle qmckl_context.h
 #define QMCKL_DEFAULT_PRECISION 53
 #define QMCKL_DEFAULT_RANGE     2
 
+/* 64-bit integer */
 typedef long long int qmckl_context ;
   #+END_SRC
 
@@ -31,9 +35,11 @@ typedef struct qmckl_context_struct_ {
 } qmckl_context_struct;
   #+END_SRC
 
+** =qmckl_context_create=
+
    To create a new context, use =qmckl_context_create()=. If the creation
-  failed, the function returns 0. On success, a pointer to a context
+   failed, the function returns =0=. On success, a pointer to a context
-  is returned as a long integer.
+   is returned as a 64-bit integer.
 
    #+BEGIN_SRC C :tangle qmckl_context.h
 qmckl_context qmckl_context_create();
@@ -57,22 +63,7 @@ qmckl_context qmckl_context_create() {
 }
    #+END_SRC
 
-  #+BEGIN_SRC fortran :tangle qmckl_context_f.f90
+** =qmckl_context_copy=
-integer(8) function qmckl_context_create()
-      use, intrinsic :: iso_c_binding
-      implicit none
-
-      interface
-         integer(c_long_long) function c_qmckl_context_create() &
-                         bind(C, name='qmckl_context_create')
-             use, intrinsic :: iso_c_binding, only : c_long_long
-         end function
-      end interface
-      
-      qmckl_context_create = c_qmckl_context_create()
-end
-  #+END_SRC
-
 
    #+BEGIN_SRC C :tangle qmckl_context.h
 qmckl_context qmckl_context_copy(qmckl_context context);
@@ -100,31 +91,15 @@ qmckl_context qmckl_context_copy(qmckl_context context) {
    #+END_SRC
 
 
-  #+BEGIN_SRC fortran :tangle qmckl_context_f.f90
-integer(8) function qmckl_context_copy(context)
-      use, intrinsic :: iso_c_binding
-      implicit none
-      integer(8), intent(in)  :: context
-
-      interface
-         integer(c_long_long) function c_qmckl_context_copy(context) &
-                         bind(C, name='qmckl_context_copy')
-             use, intrinsic :: iso_c_binding, only : c_long_long
-             integer(c_long_long), intent(in)  :: context
-         end function
-      end interface
-      
-      qmckl_context_copy = c_qmckl_context_copy(context)
-end
-  #+END_SRC
-
-
 * Precision
 
-  The following functions set the expected required precision and range.
+  The following functions set and get the expected required precision
- =precision= should be an integer between 2 and 53, and =range= should be
+  and range. =precision= should be an integer between 2 and 53, and
-  an integer between 2 and 11.
+ =range= should be an integer between 2 and 11.
-  These functions return 0 upon success.
+  The setter functions functions return a new context as a 64-bit integer.
+  The getter functions return the value, as a 32-bit integer.
+
+** =qmckl_context_set_precision=
 
    #+BEGIN_SRC C :tangle qmckl_context.h
 qmckl_context qmckl_context_set_precision(qmckl_context context, int precision);
@@ -143,7 +118,7 @@ qmckl_context qmckl_context_set_precision(qmckl_context context, int precision)
 }
    #+END_SRC
 
-
+** =qmckl_context_set_range=
    #+BEGIN_SRC C :tangle qmckl_context.h
 qmckl_context qmckl_context_set_range(qmckl_context context, int range);
    #+END_SRC
@@ -163,3 +138,31 @@ qmckl_context qmckl_context_set_range(qmckl_context context, int range) {
 
 
 
+** =qmckl_context_get_precision=
+
+   #+BEGIN_SRC C :tangle qmckl_context.h
+int qmckl_context_get_precision(qmckl_context context);
+   #+END_SRC
+
+   #+BEGIN_SRC C :tangle qmckl_context.c
+int qmckl_context_get_precision(qmckl_context context) {
+  qmckl_context_struct* ctx;
+  ctx = (qmckl_context_struct*) context;
+  return ctx->precision;
+}
+   #+END_SRC
+
+** =qmckl_context_get_range=
+
+   #+BEGIN_SRC C :tangle qmckl_context.h
+int qmckl_context_get_range(qmckl_context context);
+   #+END_SRC
+
+   #+BEGIN_SRC C :tangle qmckl_context.c
+int qmckl_context_get_range(qmckl_context context) {
+  qmckl_context_struct* ctx;
+  ctx = (qmckl_context_struct*) context;
+  return ctx->range;
+}
+   #+END_SRC
+