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Merge branch 'main' into patch-1

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vijay 2020-10-15 12:19:35 +02:00 committed by GitHub
commit 920f1a01d2
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4 changed files with 39 additions and 14 deletions
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19
.github/workflows/test-build.yml vendored Normal file
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@ -0,0 +1,19 @@
name: test-build
on:
push:
branches: [ main ]
pull_request:
branches: [ main ]
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- name: install dependencies
run: sudo apt-get install emacs
- name: make
run: make -C src/

3
README.md
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@ -1,4 +1,7 @@
# qmckl
![Build Status](https://github.com/TREX-CoE/qmckl/workflows/test-build/badge.svg?branch=main)
Quantum Monte Carlo Kernel Library.
See the [Wiki](https://github.com/TREX-CoE/qmckl/wiki) for more information.

7
src/Makefile
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@ -4,17 +4,20 @@ CFLAGS=
FC=gfortran
FFLAGS=
SOURCE_FILES=$(wildcard *.org)
ORG_SOURCE_FILES=qmckl_context.org
OBJECT_FILES=$(patsubst %.org,%.o,$(ORG_SOURCE_FILES))
.PHONY: clean
all: $(OBJECT_FILES)
%.c %.h: %.org
emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
%.c %.h %_f.f90: %.org
emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
%.o: %.c
%.o: %.c
$(CC) $(CFLAGS) -c $*.c -o $*.o
%.o: %.f90

24
src/qmckl_context.org
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@ -1,6 +1,6 @@
# -*- mode: org -*-
#+TITLE: Context
#+TITLE: Context
This file is written in C because it is more natural to express the context in
C than in Fortran.
@ -17,7 +17,7 @@ C than in Fortran.
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
@ -66,11 +66,11 @@ qmckl_context qmckl_context_create() {
** =qmckl_context_copy=
#+BEGIN_SRC C :tangle qmckl_context.h
qmckl_context qmckl_context_copy(qmckl_context context);
qmckl_context qmckl_context_copy(const qmckl_context context);
#+END_SRC
#+BEGIN_SRC C :tangle qmckl_context.c
qmckl_context qmckl_context_copy(qmckl_context context) {
qmckl_context qmckl_context_copy(const qmckl_context context) {
qmckl_context_struct* old_context;
qmckl_context_struct* new_context;
@ -123,11 +123,11 @@ qmckl_context qmckl_context_destroy(qmckl_context context) {
** =qmckl_context_set_precision=
#+BEGIN_SRC C :tangle qmckl_context.h
qmckl_context qmckl_context_set_precision(qmckl_context context, int precision);
qmckl_context qmckl_context_set_precision(const qmckl_context context, int precision);
#+END_SRC
#+BEGIN_SRC C :tangle qmckl_context.c
qmckl_context qmckl_context_set_precision(qmckl_context context, int precision) {
qmckl_context qmckl_context_set_precision(const qmckl_context context, int precision) {
qmckl_context_struct* ctx;
if (precision < 2) return (qmckl_context) 0;
@ -141,11 +141,11 @@ qmckl_context qmckl_context_set_precision(qmckl_context context, int precision)
** =qmckl_context_set_range=
#+BEGIN_SRC C :tangle qmckl_context.h
qmckl_context qmckl_context_set_range(qmckl_context context, int range);
qmckl_context qmckl_context_set_range(const qmckl_context context, int range);
#+END_SRC
#+BEGIN_SRC C :tangle qmckl_context.c
qmckl_context qmckl_context_set_range(qmckl_context context, int range) {
qmckl_context qmckl_context_set_range(const qmckl_context context, int range) {
qmckl_context_struct* ctx;
if (range < 2) return (qmckl_context) 0;
@ -162,11 +162,11 @@ 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);
int qmckl_context_get_precision(const qmckl_context context);
#+END_SRC
#+BEGIN_SRC C :tangle qmckl_context.c
int qmckl_context_get_precision(qmckl_context context) {
int qmckl_context_get_precision(const qmckl_context context) {
qmckl_context_struct* ctx;
ctx = (qmckl_context_struct*) context;
return ctx->precision;
@ -176,11 +176,11 @@ int qmckl_context_get_precision(qmckl_context context) {
** =qmckl_context_get_range=
#+BEGIN_SRC C :tangle qmckl_context.h
int qmckl_context_get_range(qmckl_context context);
int qmckl_context_get_range(const qmckl_context context);
#+END_SRC
#+BEGIN_SRC C :tangle qmckl_context.c
int qmckl_context_get_range(qmckl_context context) {
int qmckl_context_get_range(const qmckl_context context) {
qmckl_context_struct* ctx;
ctx = (qmckl_context_struct*) context;
return ctx->range;