diff --git a/README.txt b/README.txt index fbbb8c653..4cd7256f0 100644 --- a/README.txt +++ b/README.txt @@ -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: diff --git a/bin/ForceBalance.py b/bin/ForceBalance.py index 1d716f1bd..f807cf803 100755 --- a/bin/ForceBalance.py +++ b/bin/ForceBalance.py @@ -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 = """ ,'+++ ,++++++. .:,,. diff --git a/devtools/conda-recipe/meta.yaml b/devtools/conda-recipe/meta.yaml index 3ba8ad4e8..0610909b3 100644 --- a/devtools/conda-recipe/meta.yaml +++ b/devtools/conda-recipe/meta.yaml @@ -1,6 +1,6 @@ package: name: forcebalance-dev - version: !!str 1.7.3 + version: !!str 1.7.4 source: path: ../.. diff --git a/doc/api_header.tex b/doc/api_header.tex index 4c6f082f1..fb724518f 100644 --- a/doc/api_header.tex +++ b/doc/api_header.tex @@ -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} diff --git a/doc/header.tex b/doc/header.tex index 71b89f902..e323255f5 100644 --- a/doc/header.tex +++ b/doc/header.tex @@ -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} diff --git a/doc/installation.txt b/doc/installation.txt index ac781551c..c63c34706 100644 --- a/doc/installation.txt +++ b/doc/installation.txt @@ -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. diff --git a/setup.py b/setup.py index 4cc714a70..e25bc2755 100644 --- a/setup.py +++ b/setup.py @@ -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()