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Gromax v0.2.0
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Kevin Boyd committed Mar 21, 2021
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4 changes: 2 additions & 2 deletions README.md
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Expand Up @@ -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.
Expand All @@ -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
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2 changes: 1 addition & 1 deletion gromax/constants.py
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Expand Up @@ -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"})
4 changes: 2 additions & 2 deletions setup.py
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@@ -1,6 +1,6 @@
from setuptools import setup

VERSION = "NEXT"
VERSION = "0.2.0"

setup(
name="gromax",
Expand All @@ -24,4 +24,4 @@
'gromax=gromax.main:gromax'
]
}
)
)

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