From 049308860a44a22dcf167e836dc634f40d34d82a Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Fri, 5 Feb 2016 16:33:27 +0100 Subject: [PATCH] Version 1.0.8 --- doc/conf.py | 4 ++-- doc/releases.rst | 8 +++++++- doc/tutorial/install.rst | 8 ++++---- setup.py | 2 +- tamkin/__init__.py | 2 +- 5 files changed, 15 insertions(+), 9 deletions(-) diff --git a/doc/conf.py b/doc/conf.py index 08affd0..c3a16c5 100644 --- a/doc/conf.py +++ b/doc/conf.py @@ -76,9 +76,9 @@ # built documents. # # The short X.Y version. -version = '1.0.7' +version = '1.0.8' # The full version, including alpha/beta/rc tags. -release = '1.0.7' +release = '1.0.8' # The language for content autogenerated by Sphinx. Refer to documentation # for a list of supported languages. diff --git a/doc/releases.rst b/doc/releases.rst index ec3f02a..a0f1c00 100644 --- a/doc/releases.rst +++ b/doc/releases.rst @@ -4,7 +4,13 @@ Release history ############### -* **October 30, 2014. Version 1.0.7** +* **February 5, 2016. Version 1.0.8** + + - The script tamkin-driver.py now reads the fixed atoms from the Gaussian fchk file + and carries out a PHVA analysis if fixed atoms are present. + - The ``load_indices`` now also handles ranges of atoms. + +* **October 30, 2015. Version 1.0.7** - Improved VASP IO (partial Hessians and compatibility with different VASP versions) - Improved CP2K IO (partial Hessians and array with fixed atoms) diff --git a/doc/tutorial/install.rst b/doc/tutorial/install.rst index 50372c1..b68225c 100644 --- a/doc/tutorial/install.rst +++ b/doc/tutorial/install.rst @@ -60,15 +60,15 @@ Stable release (recommended) The latest stable source code release can be downloaded here: - http://github.com/molmod/tamkin/releases/download/v1.0.7/TAMkin-1.0.7.tar.gz + http://github.com/molmod/tamkin/releases/download/v1.0.8/TAMkin-1.0.8.tar.gz Choose a suitable directory, e.g. ``~/build``, download and unpack the archive:: mkdir -p ~/build cd ~/build - wget http://github.com/molmod/tamkin/releases/download/v1.0.7/TAMkin-1.0.7.tar.gz - tar -xvzf TAMkin-1.0.7.tar.gz - cd TAMkin-1.0.7 + wget http://github.com/molmod/tamkin/releases/download/v1.0.8/TAMkin-1.0.8.tar.gz + tar -xvzf TAMkin-1.0.8.tar.gz + cd TAMkin-1.0.8 Latest development code (experts only) diff --git a/setup.py b/setup.py index bffadea..e0c846f 100755 --- a/setup.py +++ b/setup.py @@ -38,7 +38,7 @@ from distutils.core import setup setup(name='TAMkin', - version='1.0.7', + version='1.0.8', description='TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.', author='Toon Verstraelen, Matthias Vandichel, An Ghysels', author_email='Toon.Verstraelen@UGent.be, Matthias.Vandichel@UGent.be, An.Ghysels@UGent.be', diff --git a/tamkin/__init__.py b/tamkin/__init__.py index 3fb6181..ac3587f 100644 --- a/tamkin/__init__.py +++ b/tamkin/__init__.py @@ -34,7 +34,7 @@ #-- """TAMkin is a post-processing toolkit for normal mode, thermochemistry and kinetics.""" -__version__ = '1.0.7' +__version__ = '1.0.8' from tamkin.chemmod import * from tamkin.data import *