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Update README and update version to 1.7.4
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leeping committed Jul 9, 2020
1 parent 11a0b39 commit 74a0e70
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27 changes: 24 additions & 3 deletions README.txt
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Expand Up @@ -13,9 +13,30 @@ http://leeping.github.io/forcebalance/doc/html/index.html
You can also download the documentation in pdf format here:
http://leeping.github.io/forcebalance/doc/ForceBalance-Manual.pdf

#==================#
#| Quick Help |#
#==================#
#================================#
#| Conda / pip installation |#
#================================#

As of version 1.7.4, ForceBalance is available as a package on the conda-forge channel.
To install the package, make sure you are using an Anaconda/Miniconda Python distribution
for Python versions 2.7, 3.5, 3.6, or 3.7, then run:

`conda install --strict-channel-priority -c conda-forge forcebalance`

This will install ForceBalance and all of the required dependencies. It will not install
optional dependencies such as OpenMM, Gromacs, AMBER, Tinker, CCTools/Work Queue,
or the Open Force Field toolkit.

(Note: If you were installing ForceBalance from the omnia repository previously,
you may need to clear your index cache using `conda clean -i`.)

Similarly, to install from PyPI (Python Package Index), run the command:

`pip install forcebalance`

#=========================================#
#| Building / installing from source |#
#=========================================#

To build the package:

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2 changes: 1 addition & 1 deletion bin/ForceBalance.py
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Expand Up @@ -60,7 +60,7 @@ def process(word, color):
return Answer

def main():
printcool("Welcome to ForceBalance version 1.7.3! =D\nForce Field Optimization System\n\nAuthors:\nLee-Ping Wang\nYudong Qiu, Keri A. McKiernan\nJeffrey R. Wagner, Hyesu Jang, Simon Boothroyd\nArthur Vigil, Erik G. Brandt, Johnny Israeli", ansi="1", bold=True, minwidth=64)
printcool("Welcome to ForceBalance version 1.7.4! =D\nForce Field Optimization System\n\nAuthors:\nLee-Ping Wang\nYudong Qiu, Keri A. McKiernan\nJeffrey R. Wagner, Hyesu Jang, Simon Boothroyd\nArthur Vigil, Erik G. Brandt, Johnny Israeli", ansi="1", bold=True, minwidth=64)
logostr = """
,'+++
,++++++. .:,,.
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2 changes: 1 addition & 1 deletion devtools/conda-recipe/meta.yaml
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@@ -1,6 +1,6 @@
package:
name: forcebalance-dev
version: !!str 1.7.3
version: !!str 1.7.4

source:
path: ../..
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2 changes: 1 addition & 1 deletion doc/api_header.tex
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Expand Up @@ -57,7 +57,7 @@
\vspace*{1cm}
\begin{center}

{\Large ForceBalance Developer API Guide version 1.7.3}\\
{\Large ForceBalance Developer API Guide version 1.7.4}\\
\vspace*{2cm}
{\large Generated by Doxygen 1.8.11}\\
\vspace*{2.5 cm}
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2 changes: 1 addition & 1 deletion doc/header.tex
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Expand Up @@ -57,7 +57,7 @@
\vspace*{1cm}
\begin{center}

{\Large ForceBalance version 1.7.3}\\
{\Large ForceBalance version 1.7.4}\\
\vspace*{2cm}
{\large Generated by Doxygen 1.8.11}\\
\vspace*{2.5 cm}
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14 changes: 13 additions & 1 deletion doc/installation.txt
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Expand Up @@ -17,7 +17,19 @@ package of your choice. If you choose to do so, please contact me as
I would be happy to include your contribution in the main
distribution.

@section installing_forcebalance Installing ForceBalance
@section installing_forcebalance Installing ForceBalance using conda package manager

As of version 1.7.4, ForceBalance is available as a package on the conda-forge channel.
To install the package, make sure you are using an Anaconda/Miniconda Python distribution
for Python versions 2.7, 3.5, 3.6, or 3.7, then run:

@verbatim python setup.py install @endverbatim

This will install ForceBalance and all of the required dependencies. It will not install
optional dependencies such as OpenMM, Gromacs, AMBER, Tinker, CCTools/Work Queue,
or the Open Force Field toolkit.

@section installing_forcebalance Installing ForceBalance from source

%ForceBalance is packaged as a Python module. Here are the installation instructions.

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2 changes: 1 addition & 1 deletion setup.py
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Expand Up @@ -21,7 +21,7 @@
#| doc/api_header.tex |#
#| bin/ForceBalance.py |#
#===================================#
__version__ = "v1.7.3"
__version__ = "v1.7.4"
try:
# use git to find current version
git_describe = subprocess.check_output(["git", "describe"]).strip()
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