If you are using GitLab outside of the ILL, then you will need to use HTTPS and not SSH for clone/push/pull operations. SSH will work normally if you are using the VPN.

Commit 62c424a7 authored by eric pellegrini's avatar eric pellegrini

Merge tag '1.0.4.rc3' into develop

version 1.0.4.rc3
parents ab92e3ab 7c0d220c
Pipeline #1198 passed with stages
in 19 minutes and 58 seconds
Package: mdanse
Version: 1.0.0
Architecture: amd64
Depends: python-wxmpl, pyro, python-vtk
Depends: python-setuptools, python-wxmpl, pyro, python-vtk
Section: Science
Priority: optional
Installed-Size: 1000
version 1.0.4.rc2
* bug fix in debian packager: add the python-setuptools dependency
* improved LAMMPS converter: the parsing of the config file is more tolerance in term of required keyword format
version 1.0.4.rc2
* added support for gitflow bugfix branch to gitlab config file
......@@ -81,21 +81,21 @@ class LAMMPSConfigFile(dict):
for i, line in enumerate(lines):
if self['n_atoms'] is None:
m = re.match("^(\d+) atoms$",line, re.I)
m = re.match("^\s*(\d+)\s*atoms\s*$",line, re.I)
if m:
self['n_atoms'] = int(m.groups()[0])
if self["n_atom_types"] is None:
m = re.match("^(\d+) atom types$",line, re.I)
m = re.match("^\s*(\d+)\s*atom types\s*$",line, re.I)
if m:
self["n_atom_types"] = int(m.groups()[0])
if self['n_bonds'] is None:
m = re.match("^(\d+) bonds$",line, re.I)
m = re.match("^\s*(\d+)\s*bonds\s*$",line, re.I)
if m:
self['n_bonds'] = int(m.groups()[0])
if re.match("^masses$", line, re.I):
if re.match("^\s*masses\s*$", line, re.I):
if self["n_atom_types"] is None:
raise LAMMPSConfigFileError("Did not find the number of atom types.")
......@@ -113,7 +113,7 @@ class LAMMPSConfigFile(dict):
self["elements"][idx] = el[0]
m = re.match("^bonds$",line, re.I)
m = re.match("^\s*bonds\s*$",line, re.I)
if m:
for j in range(1, self['n_bonds']+1):
_,_,at1,at2 = lines[i+j].split()
__version__ = "1.0.4.rc2"
__version__ = "1.0.4.rc3"
__date__ = "22-11-2016"
__date__ = "28-11-2016"
__author__ = "Eric Pellegrini"
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