prepare 0.1.2 release

ltalirz · ltalirz · commit f459e4aa70f9 · 2019-11-29T09:19:33.000+01:00
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -0,0 +1,13 @@
+## v0.1.2
+
+### Improvements
+
+ * make compatible with networkx 2.4 371d5d93110b349d51b5d7bfb7ef2bcc89752b7b
+
+### Bug fixes
+
+ * exit on error if atoms overlap in min-img distance check 29086e5c6ed4e8cc013624875d7029f4ec9ae9db
+
+## v0.1.1
+
+First release on PyPI
diff --git a/README.md b/README.md
@@ -1,4 +1,6 @@
 [![Build Status](https://travis-ci.org/peteboyd/lammps_interface.svg?branch=master)](https://travis-ci.org/peteboyd/lammps_interface)
+[![Docs status](https://readthedocs.org/projects/lammps-interface/badge)](http://lammps-interface.readthedocs.io/)
+[![PyPI version](https://badge.fury.io/py/lammps-interface.svg)](https://badge.fury.io/py/lammps-interface)
 # LAMMPS Interface
 ## Authors
 
diff --git a/lammps_interface/__init__.py b/lammps_interface/__init__.py
@@ -1,3 +1,4 @@
 """
 Lammps interface.
 """
+__version__ = "0.1.2"
diff --git a/requirements.txt b/requirements.txt
@@ -1,5 +1,5 @@
 numpy
 scipy
-networkx
+networkx>=2.4
 # matplotlib 3.1 requires python 3.6
 matplotlib<3.1
diff --git a/setup.py b/setup.py
@@ -6,7 +6,7 @@
 setup(
     name="lammps-interface",
     author="Peter Boyd, Mohamad Moosavi, Matthew Witman",
-    version="0.1.1",
+    version="0.1.2",
     license="MIT",
     url="https://github.com/peteboyd/lammps_interface",
     description="Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs",

-Original file line number
+Diff line change
@@ @@ -1,3 +1,4 @@ @@
 """
 Lammps interface.
 """
 +__version__ = "0.1.2"