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Martin Kurečka
Plumed AlphaFold
Commits
09495286
There was an error fetching the commit references. Please try again later.
Commit
09495286
authored
5 years ago
by
Gareth Tribello
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Example checking now runs when you build the manual
parent
7f4dcfad
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user-doc/Makefile
+1
-1
1 addition, 1 deletion
user-doc/Makefile
user-doc/go-example-check
+6
-4
6 additions, 4 deletions
user-doc/go-example-check
with
7 additions
and
5 deletions
user-doc/Makefile
+
1
−
1
View file @
09495286
...
...
@@ -18,7 +18,7 @@ all:
ifeq
($(make_doc),yes)
make_pdfdoc
=
$(
make_pdfdoc
)
./extract
# temporarily removed for travis to build:
#
./go-
spelling
./go-
example-check
make_pdfdoc
=
$(
make_pdfdoc
)
./go-doxygen
cp
*
png html/
./report_errors
...
...
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user-doc/go-example-check
+
6
−
4
View file @
09495286
...
...
@@ -5,7 +5,7 @@ mkdir example-check
# This generates plumed.dat files for each of the documentation pages in the manual
for
file
in
*
PP.md automatic/
*
.txt ../CHANGES/
*
.md tutorials/
*
.txt tutorials/
*
.site tutorials/others/
*
.txt
;
do
echo
Generating examples to check
for
file
$file
#
echo Generating examples to check for file $file
# Single replica examples
splits
=
`
echo
$file
|
sed
-e
's/\// /g'
`
nf
=
`
echo
$splits
|
awk
'{print NF}'
`
...
...
@@ -93,7 +93,7 @@ rm -rf FOURIER_TRANSFORM.txt
# These are problems that Max and Carlo need to fix
rm
-rf
NOE.txt SAXS.txt RDC.txt LOCALENSEMBLE.txt EEFSOLV.txt EMMI.txt METAINFERENCE.txt/2.dat
# These are problems for Giovanni to fix
rm
-rf
PIECEWISE.txt PUCKERING.txt/
rm
-rf
PIECEWISE.txt PUCKERING.txt/
CALIBER.txt/
# These are things for Omar to fix
rm
-rf
VES_OUTPUT_FES.txt/ VES_LINEAR_EXPANSION.txt/
# Not sure how to get this to work - won't compile on my laptop GAT
...
...
@@ -101,13 +101,13 @@ rm -rf DRR.txt
# Stuff in tutorials that doesn't quite work
rm
-f
a-trieste-6.txt/1.dat a-trieste-6.txt/2.dat Miscellaneous/17.dat
rm
-rf
isdb-1.txt isdb-2.txt performance-optimization.txt
rm
-rf
ves-lugano2017-02-ves1.txt ves-lugano2017-03-ves2.txt ves-lugano2017-04-kinetics.txt
rm
-rf
ves-lugano2017-01-metad.txt
ves-lugano2017-02-ves1.txt ves-lugano2017-03-ves2.txt ves-lugano2017-04-kinetics.txt
# Now check that plumed can parse all the inputs in the manual
for
dir
in
*
;
do
cd
$dir
for
file
in
*
.dat
;
do
echo
Checking example named
$dir
/
$file
#
echo Checking example named $dir/$file
# This checks if we need a structure file for a MOLINFO command and gets one if it is required
molfile
=
`
grep
"MOLINFO"
$file
|
wc
-l
|
awk
'{print $1}'
`
nfill
=
`
grep
"__FILL__"
$file
|
wc
-l
|
awk
'{print $1}'
`
...
...
@@ -160,3 +160,5 @@ done
# Remove some crap that is created somewhere
cd
../
exit
0
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