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cluster:73 [2021/10/15 14:08] hmeij07 [Miniconda2] |
cluster:73 [2021/10/27 14:32] hmeij07 [Hoomd] |
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Some compilations require 7.x and are in / | Some compilations require 7.x and are in / | ||
- | ===== Hoomd ===== | + | ====== EasyBuild ====== |
+ | |||
+ | | ||
+ | * maybe use alongside OpenHPC modules? | ||
+ | * replacement for miniconda? | ||
+ | |||
+ | EasyBuild 4.4.2 supports 2469 different software packages (incl. toolchains, bundles) | ||
+ | * [[cluster: | ||
+ | |||
+ | ====== Hoomd ====== | ||
HOOMD-blue is a Python package that runs simulations of particle systems on CPUs and GPUs. | HOOMD-blue is a Python package that runs simulations of particle systems on CPUs and GPUs. | ||
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* https:// | * https:// | ||
* requires both minconda3 (centos7) **and** cuda-10.2 (so queue exx96 only) | * requires both minconda3 (centos7) **and** cuda-10.2 (so queue exx96 only) | ||
+ | * python3.x included | ||
* starrlab | * starrlab | ||
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</ | </ | ||
- | ===== Miniconda2 ===== | + | ====== Miniconda2 |
* miniconda2 (python 2.7) is hiding in section | * miniconda2 (python 2.7) is hiding in section | ||
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numpy | numpy | ||
time 1.8 h516909a_0 | time 1.8 h516909a_0 | ||
+ | astropy | ||
+ | attrs conda-forge/ | ||
+ | click conda-forge/ | ||
+ | coverage | ||
+ | hypothesis | ||
+ | iniconfig | ||
+ | more-itertools | ||
+ | packaging | ||
+ | pluggy | ||
+ | psutil | ||
+ | py | ||
+ | pyparsing | ||
+ | pytest | ||
+ | pytest-arraydiff | ||
+ | pytest-astropy | ||
+ | pytest-astropy-he~ conda-forge/ | ||
+ | pytest-cov | ||
+ | pytest-doctestplus conda-forge/ | ||
+ | pytest-filter-sub~ conda-forge/ | ||
+ | pytest-mock | ||
+ | pytest-openfiles | ||
+ | pytest-remotedata | ||
+ | sortedcontainers | ||
+ | toml | ||
+ | |||
</ | </ | ||