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| author | William PC <w_calandrini[at]hotmail[dot]com> | 2022-10-24 21:36:21 +0100 |
|---|---|---|
| committer | Willy Sudiarto Raharjo <willysr@slackbuilds.org> | 2022-10-29 10:28:36 +0700 |
| commit | 24f7e9543e00faf1ca17f551292859a2899753bc (patch) | |
| tree | 36957037f001f7586e51730c54381e338572d5d6 /academic/OpenMM/README | |
| parent | 36370718266ed9791db8d522d536e3eefdf8a84d (diff) | |
academic/OpenMM: Added (high-perf toolkit for molecular simulation)
Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
Diffstat (limited to 'academic/OpenMM/README')
| -rw-r--r-- | academic/OpenMM/README | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/academic/OpenMM/README b/academic/OpenMM/README new file mode 100644 index 0000000000000..3bd6b80eb9e86 --- /dev/null +++ b/academic/OpenMM/README @@ -0,0 +1,10 @@ + A high-performance toolkit for molecular simulation. Use it as an +application, a library, or a flexible programming environment. We +include extensive language bindings for Python, C, C++, and even +Fortran. + + If you want to build the Python package set the environment +variable PYTHON=yes (this requires numpy3). + +NOTE: if you want to use the python module with OpenCL you shall, +install a OpenCL runtime, such as pocl, or other vendor specific. |