diff --git a/PlumedToHTML/PlumedToHTML.py b/PlumedToHTML/PlumedToHTML.py
index 3a7f1a5..024635b 100644
--- a/PlumedToHTML/PlumedToHTML.py
+++ b/PlumedToHTML/PlumedToHTML.py
@@ -104,7 +104,6 @@ def test_plumed( executible, filename, header=[], printjson=False, jsondir="./"
with open(outfile,"w") as stdout:
with open(errtxtfile,"w") as stderr:
with cd(run_folder):
- print( cmd )
plumed_out = subprocess.run(cmd, text=True, stdout=stdout, stderr=stderr )
# write header and preamble to errfile
with open(errfile,"w") as stderr:
@@ -494,6 +493,7 @@ def processMarkdown( filename, plumed_exe, plumed_names, actions, jsondir="./" )
with open( dirname + "/" + solutionfile, "r" ) as sf:
solution = sf.read()
plumed_inp += "#SOLUTION \n" + solution
+ solutionfile = dirname + "/" + solutionfile
except:
raise RuntimeError(f"error in opening {solutionfile} as solution"
f" for an incomplete input from file {filename}")
@@ -503,7 +503,7 @@ def processMarkdown( filename, plumed_exe, plumed_names, actions, jsondir="./" )
# Create the full input for PlumedToHTML formatter
else :
solutionfile = filename + "_working_" + str(ninputs) + ".dat"
- with open( dirname + "/" + solutionfile, "w+" ) as sf:
+ with open( solutionfile, "w+" ) as sf:
sf.write( plumed_inp )
# Test whether the input solution can be parsed
@@ -514,12 +514,12 @@ def processMarkdown( filename, plumed_exe, plumed_names, actions, jsondir="./" )
# PlumedToHTML finds them when we do get_html (i.e. these will be in
# the data directory where the calculation is run)
if incomplete :
- success[i]=test_plumed(plumed_exe[i], dirname + "/" + solutionfile )
+ success[i]=test_plumed(plumed_exe[i], solutionfile )
else :
- success[i]=test_plumed(plumed_exe[i], dirname + "/" + solutionfile,
+ success[i]=test_plumed(plumed_exe[i], solutionfile,
printjson=True, jsondir=jsondir )
else :
- success[i]=test_plumed( plumed_exe[i], dirname + "/" + solutionfile )
+ success[i]=test_plumed( plumed_exe[i], solutionfile )
if(success[i]!=0 and success[i]!="custom") : nfail[i] = nfail[i] + 1
# Use PlumedToHTML to create the input with all the bells and whistles
html = get_html(plumed_inp,
diff --git a/setup.py b/setup.py
index beadaba..035fa0b 100644
--- a/setup.py
+++ b/setup.py
@@ -6,7 +6,7 @@
setuptools.setup(
name='PlumedToHTML',
- version='0.76',
+ version='0.77',
author="Gareth Tribello",
author_email="gareth.tribello@gmail.com",
description="A package for creating pretified HTML for PLUMED files",