From 9b85910a09745b5d2df3edf45a9d48ba947a79ce Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Wed, 29 Jun 2016 16:45:57 -0700 Subject: [PATCH] release 0.6.0 with CHANGES file --- CHANGES | 38 ++++++++++++++++++++++++++++++++++++++ mdpow/version.py | 2 +- 2 files changed, 39 insertions(+), 1 deletion(-) create mode 100644 CHANGES diff --git a/CHANGES b/CHANGES new file mode 100644 index 00000000..9abd9fcd --- /dev/null +++ b/CHANGES @@ -0,0 +1,38 @@ +================= +CHANGES for MDPOW +================= + +Add summary of changes for each release. Use ISO dates. Reference +GitHub issues numbers and PR numbers. + + +2016-06-29 0.6.0 +orbeckst, ianmkenney + +Code and development are now public on GitHub https://github.com/Becksteinlab/MDPOW + +* supported solvents: water, octanol, cyclohexane (new) (#11, #16) +* supported water models: TIP4P, and new: TIP3P, TIP5P, SPC, SPC/E (#38) +* FEP simulations are now done in NPT (Parrinello-Rahman barostat) + instead of NVT (#28) +* can run with Gromacs BAR and/or TI +* input file format was changed from ini to YAML (#1, #5, #6) +* additional configuration options in the runinput.yml file (#30, #38) + + + +2011-09-06 0.5.1 +orbeckst + +Bug fixes and the mdpow-rebuild-simulation script to fix-up the state +files. For details see the git log commit messages. + + +2011-08-25 0.5.0 +orbeckst, iorga + +Fully working version with all scripts in place. Was used for the SAMPL3 +challenge. For details see the git log commit messages. + + +For earlier releases see the commit messages. diff --git a/mdpow/version.py b/mdpow/version.py index dd2dd2fa..38929a26 100644 --- a/mdpow/version.py +++ b/mdpow/version.py @@ -35,7 +35,7 @@ VERSION = 0,6,0 #: Set to ``True`` for a release. If set to ``False`` then the patch level #: will have the suffix "-dev". -RELEASE = False +RELEASE = True if not RELEASE: VERSION = VERSION[:2] + (str(VERSION[2]) + '-dev',)