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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 20:36:01 +01:00

Merge branch 'master' of github.com:TREX-CoE/qmckl

This commit is contained in:
Anthony Scemama 2023-03-02 10:10:49 +01:00
commit 3ebb304218
7 changed files with 1634 additions and 1703 deletions

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@ -1,4 +1,4 @@
#!/bin/bash #!/bin/sh
export srcdir="." export srcdir="."
python3 ${srcdir}/tools/build_makefile.py python3 ${srcdir}/tools/build_makefile.py

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@ -223,6 +223,8 @@ AC_RUN_IFELSE(
int simd=1; int simd=1;
#if defined(__AVX512F__) #if defined(__AVX512F__)
simd=8; simd=8;
#elif defined(__AVX2__)
simd=4;
#elif defined(__AVX__) #elif defined(__AVX__)
simd=4; simd=4;
#elif defined(__SSE2__) #elif defined(__SSE2__)

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@ -73,7 +73,7 @@ def main():
TEXT[org] = text TEXT[org] = text
HTML[org] = html HTML[org] = html
grep = open(org, "r").read() grep = open(org, "r", encoding="utf-8").read()
if "(eval c)" in grep: if "(eval c)" in grep:
C_FILES += [c] C_FILES += [c]

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@ -58,8 +58,8 @@
(add-hook 'org-babel-after-execute-hook 'org-display-inline-images) (add-hook 'org-babel-after-execute-hook 'org-display-inline-images)
'(indent-tabs-mode nil) '(indent-tabs-mode nil)
(require 'evil)
(setq evil-want-C-i-jump nil) (setq evil-want-C-i-jump nil)
(require 'evil)
(evil-mode 1) (evil-mode 1)
(global-font-lock-mode t) (global-font-lock-mode t)
(global-superword-mode 1) (global-superword-mode 1)

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@ -32,7 +32,6 @@
| ~C~ | ~double[n][ldc]~ | out | Array containing the $m \times n$ matrix $C$ | | ~C~ | ~double[n][ldc]~ | out | Array containing the $m \times n$ matrix $C$ |
| ~ldc~ | ~int64_t~ | in | Leading dimension of array ~C~ | | ~ldc~ | ~int64_t~ | in | Leading dimension of array ~C~ |
*** Fortran-C type conversions *** Fortran-C type conversions
#+NAME:f_of_c #+NAME:f_of_c
@ -132,21 +131,35 @@ return template
#+END_SRC #+END_SRC
#+RESULTS: generate_c_header #+NAME: generate_private_c_header
#+begin_src c :tangle (eval h_func) :comments org #+BEGIN_SRC python :var table=test :var rettyp="qmckl_exit_code" :var fname=[] :results drawer :noweb yes :wrap "src c :tangle (eval h_private_func) :comments org"
qmckl_exit_code [] ( <<parse_table>>
const qmckl_context context,
const char transa, results = []
const char transb, for d in parse_table(table):
const int64_t m, name = d["name"]
const int64_t n, c_type = d["c_type"]
const double* A,
const int64_t lda, # Add star for arrays
const double* B, if d["rank"] > 0 or d["inout"] in ["out", "inout"]:
const int64_t ldb, c_type += "*"
double* const C,
const int64_t ldc ); if d["inout"] == "out":
#+end_src 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 *** Generates a C interface to the Fortran function
@ -255,7 +268,54 @@ results='\n'.join(results)
return results return results
#+END_SRC #+END_SRC
#+NAME: generate_private_f_interface
#+BEGIN_SRC python :var table=test :var rettyp="integer" :var fname=[] :results value :noweb yes :wrap "src f90 :tangle (eval fh_private_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
** Creating provide functions ** Creating provide functions
@ -421,3 +481,4 @@ return msg
return QMCKL_SUCCESS; return QMCKL_SUCCESS;
} }
#+end_src #+end_src