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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-23 12:57:20 +01:00
qmckl/tools/lib.org

243 lines
7.0 KiB
Org Mode

# -*- mode: org -*-
* Library of org-mode functions :noexport:
** Defines the name of the current file
#+NAME: filename
#+begin_src elisp :tangle no
(file-name-nondirectory (substring buffer-file-name 0 -4))
#+end_src
** Function to get the value of a property.
#+NAME: get_value
#+begin_src elisp :var key="Type"
(org-with-point-at org-babel-current-src-block-location
(org-entry-get nil key t))
#+end_src
** Table of function arguments
#+NAME: test
| ~qmckl_context~ | ~context~ | in | Global state |
| ~char~ | ~transa~ | in | Array ~A~ is ~'N'~: Normal, ~'T'~: Transposed |
| ~char~ | ~transb~ | in | Array ~B~ is ~'N'~: Normal, ~'T'~: Transposed |
| ~int64_t~ | ~m~ | in | Number of points in the first set |
| ~int64_t~ | ~n~ | in | Number of points in the second set |
| ~double~ | ~A[][lda]~ | in | Array containing the $m \times 3$ matrix $A$ |
| ~int64_t~ | ~lda~ | in | Leading dimension of array ~A~ |
| ~double~ | ~B[][ldb]~ | in | Array containing the $n \times 3$ matrix $B$ |
| ~int64_t~ | ~ldb~ | in | Leading dimension of array ~B~ |
| ~double~ | ~C[n][ldc]~ | out | Array containing the $m \times n$ matrix $C$ |
| ~int64_t~ | ~ldc~ | in | Leading dimension of array ~C~ |
*** Fortran-C type conversions
#+NAME:f_of_c
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval f) :comments org :exports none"
f_of_c_d = { '' : ''
, 'qmckl_context' : 'integer (c_int64_t)'
, 'qmckl_exit_code' : 'integer (c_int32_t)'
, 'int32_t' : 'integer (c_int32_t)'
, 'int64_t' : 'integer (c_int64_t)'
, 'uint32_t' : 'integer (c_int32_t)'
, 'uint64_t' : 'integer (c_int64_t)'
, 'float' : 'real (c_float )'
, 'double' : 'real (c_double )'
, 'char' : 'character'
}
#+END_SRC
#+NAME:c_of_f
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval f) :comments org :exports none"
ctypeid_d = { '' : ''
, 'qmckl_context' : 'integer(c_int64_t)'
, 'qmckl_exit_code' : 'integer(c_int32_t)'
, 'integer' : 'integer(c_int32_t)'
, 'integer*8' : 'integer(c_int64_t)'
, 'integer' : 'integer(c_uint32_t)'
, 'integer*8' : 'integer(c_uint64_t)'
, 'real' : 'real(c_float)'
, 'real*8' : 'real(c_double)'
, 'character' : 'character(c_char)'
}
#+END_SRC
*** Parse the table
#+NAME: parse_table
#+BEGIN_SRC python :results none :noweb yes :exports none
def parse_table(table):
result = []
for line in [ [x.replace('~','') for x in y] for y in table]:
d = { "c_type" : line[0],
"inout" : line[2].lower(),
"name" : line[1],
"comment" : line[3] }
# Handle inout
if d["inout"] in ["input", "in"]:
d["inout"] == "in"
elif d["inout"] in ["output", "out"]:
d["inout"] == "out"
elif d["inout"] in ["input/output", "inout"]:
d["inout"] == "inout"
# Find dimensions (replace [] by [*] to get * in Fortran dimensions)
dims = d["name"].replace("[]","[*]").split('[')
d["rank"] = len(dims) - 1
if d["rank"] == 0:
d["dims"] = []
else:
d["name"] = d["name"].split('[')[0].strip()
d["dims"] = [ x.replace(']','').strip() for x in dims[1:] ]
result.append(d)
return result
#+END_SRC
*** Generates a C header
#+NAME: generate_c_header
#+BEGIN_SRC python :var table=test :var rettyp=[] :var fname=[] :results drawer :noweb yes :wrap "src c :tangle (eval h_func) :comments org"
<<parse_table>>
results = []
for d in parse_table(table):
name = d["name"]
c_type = d["c_type"]
# Add star for arrays
if d["rank"] > 0 or d["inout"] in ["out", "inout"]:
c_type += "*"
if d["inout"] == "out":
c_type += " const"
# Only inputs are const
if d["inout"] == "in":
const = "const "
else:
const = ""
results += [ f" {const}{c_type} {name}" ]
results=',\n'.join(results)
template = f"""{rettyp} {fname} (\n{results} ); """
return template
#+END_SRC
*** Generates a C interface to the Fortran function
#+NAME: generate_c_interface
#+BEGIN_SRC python :var table=[] :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval f) :comments org :exports none"
<<c_of_f>>
<<f_of_c>>
<<parse_table>>
d = parse_table(table)
args = ", ".join([ x["name"] for x in d ])
if len(args) > 100:
args = args.replace(",",""", &
""")
rettyp_c = ctypeid_d[rettyp.lower()]
results = [ f"{rettyp_c} function {fname} &"
, f" ({args}) &"
, " bind(C) result(info)"
, ""
, " use, intrinsic :: iso_c_binding"
, " implicit none"
, ""
]
for d in parse_table(table):
f_type = f_of_c_d[d["c_type"]]
inout = "intent("+d["inout"]+")"
name = d["name"]
# Input scalars are passed by value
if d["rank"] == 0 and d["inout"] == "in":
value = ", value"
else:
value = " "
# Append dimensions to the name
if d["rank"] == 0:
dims = ""
else:
d["dims"].reverse()
dims = "(" + ",".join(d["dims"]) + ")"
results += [ f" {f_type:20}, {inout:12}{value} :: {name}{dims}" ]
results += [ ""
, f" {rettyp_c}, external :: {fname}_f"
, f" info = {fname}_f &"
, f" ({args})"
, ""
, f"end function {fname}"
]
results='\n'.join(results)
return results
#+END_SRC
*** Generates a Fortran interface to the C function
#+NAME: generate_f_interface
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval fh_func) :comments org :exports none"
<<c_of_f>>
<<f_of_c>>
<<parse_table>>
d = parse_table(table)
args = ", ".join([ x["name"] for x in d ])
rettyp_c = ctypeid_d[rettyp.lower()]
results = [ f"interface"
, f" {rettyp_c} function {fname} &"
, f" ({args}) &"
, " bind(C)"
, " use, intrinsic :: iso_c_binding"
, " import"
, " implicit none"
, ""
]
for d in parse_table(table):
f_type = f_of_c_d[d["c_type"]]
inout = "intent("+d["inout"]+")"
name = d["name"]
# Input scalars are passed by value
if d["rank"] == 0 and d["inout"] == "in":
value = ", value"
else:
value = " "
# Append dimensions to the name
if d["rank"] == 0:
dims = ""
else:
d["dims"].reverse()
dims = "(" + ",".join(d["dims"]) + ")"
results += [ f" {f_type:20}, {inout:12}{value} :: {name}{dims}" ]
results += [ ""
, f" end function {fname}"
, f"end interface"
]
results='\n'.join(results)
return results
#+END_SRC