eessi-2021.12.yml

software:
  code-server:
    toolchains:
      SYSTEM:
        versions: '3.7.3'
  GROMACS:
    toolchains:
      foss-2020a:
        versions:
          '2020.1':
            versionsuffix: -Python-3.8.2
          '2020.4':
            versionsuffix: -Python-3.8.2
  Horovod:
    toolchains:
      foss-2020a:
        versions:
          '0.21.3':
            versionsuffix: -TensorFlow-2.3.1-Python-3.8.2
  Nextflow:
    toolchains:
      SYSTEM:
        versions: '22.10.1'
  OpenFOAM:
    toolchains:
      foss-2020a:
        versions: ['8', 'v2006']
  OSU-Micro-Benchmarks:
     toolchains:
       gompi-2020a:
         versions: ['5.6.3']
       gompi-2021a:
         versions: ['5.7.1']
  QuantumESPRESSO:
     toolchains:
       foss-2020a:
         versions: ['6.6']
  R:
    toolchains:
      foss-2021a:
        versions: '4.1.0'
  R-bundle-Bioconductor:
    toolchains:
      foss-2020a:
        versions:
          '3.11':
            versionsuffix: -R-4.0.0
  RStudio-Server:
    toolchains:
      foss-2020a:
        versions:
          '1.3.1093':
            versionsuffix: -Java-11-R-4.0.0
  SciPy-bundle:
    toolchains:
      foss-2021a:
        versions: ['2021.05']
  TensorFlow:
    toolchains:
      foss-2020a:
        versions:
          '2.3.1':
            versionsuffix: -Python-3.8.2
  WRF:
     toolchains:
       foss-2020a:
         versions: 
           '3.9.1.1': 
             versionsuffix: -dmpar