diff --git a/README.md b/README.md index 5ce0e96..7b97ec3 100644 --- a/README.md +++ b/README.md @@ -31,7 +31,7 @@ pip install git+https://github.com/scal444/gromax ## Capabilities - Given a Gromacs TPR file and a description of the hardware (CPU count and GPU IDs), generate a series of Gromacs run commands to explore which parameters provide the best performance for the hardware. -- Supports Gromacs major versions 2016, 2018, 2019, and 2020. +- Supports Gromacs major versions 2016, 2018, 2019, 2020, and 2021. - Break down the available hardware into subcomponents to assess maximum throughput on a single node. - Generates a simple bash script to execute - Analyzes results and reports best paramater combinations. @@ -55,7 +55,7 @@ in [the examples doc](docs/examples.md)! [known issues doc](docs/known_issues.md) for problems that are known but can't yet be addressed. ## Release notes -- Release notes can be found in [docs/releaes_notes](docs/release_notes) +- Release notes can be found in [docs/release_notes](docs/release_notes) ## Other awesome resources - Want to see how well your system scales to various clusters? Check out diff --git a/gromax/constants.py b/gromax/constants.py index 1eb6b5b..2a34e98 100644 --- a/gromax/constants.py +++ b/gromax/constants.py @@ -2,6 +2,6 @@ """ Contains program-level constants """ -_GROMAX_VERSION = "1.2-dev" +_GROMAX_VERSION = "0.2.0" _SUPPORTED_GMX_VERSIONS: FrozenSet[str] = frozenset({"2016", "2018", "2019", "2020", "2021"}) diff --git a/setup.py b/setup.py index 237a78d..b2175a4 100644 --- a/setup.py +++ b/setup.py @@ -1,6 +1,6 @@ from setuptools import setup -VERSION = "NEXT" +VERSION = "0.2.0" setup( name="gromax", @@ -24,4 +24,4 @@ 'gromax=gromax.main:gromax' ] } -) \ No newline at end of file +)