diff --git a/HPC_setup/create_runscripts_HPC.sh b/HPC_setup/create_runscripts_HPC.sh index 5e37d820ae1241c09c1c87c141bdcf005044a3b7..61d361b5a6c737570d040aee9ec95f74c63439b4 100755 --- a/HPC_setup/create_runscripts_HPC.sh +++ b/HPC_setup/create_runscripts_HPC.sh @@ -85,7 +85,7 @@ source venv_${hpcsys}/bin/activate timestamp=\`date +"%Y-%m-%d_%H%M-%S"\` -export PYTHONPATH=\${PWD}/venv_${hpcsys}/lib/python3.6/site-packages:\${PYTHONPATH} +export PYTHONPATH=\${PWD}/venv_${hpcsys}/lib/python3.8/site-packages:\${PYTHONPATH} srun --cpu-bind=none python run.py --experiment_date=\$timestamp EOT @@ -110,7 +110,7 @@ source venv_${hpcsys}/bin/activate timestamp=\`date +"%Y-%m-%d_%H%M-%S"\` -export PYTHONPATH=\${PWD}/venv_${hpcsys}/lib/python3.6/site-packages:\${PYTHONPATH} +export PYTHONPATH=\${PWD}/venv_${hpcsys}/lib/python3.8/site-packages:\${PYTHONPATH} srun --cpu-bind=none python run_HPC.py --experiment_date=\$timestamp EOT diff --git a/HPC_setup/mlt_modules_juwels.sh b/HPC_setup/mlt_modules_juwels.sh index e72c0f63141bad4bab442e18b93d9fbb37adb287..ffacfe6fc45302dfa60b108ca2493d9a27408df1 100755 --- a/HPC_setup/mlt_modules_juwels.sh +++ b/HPC_setup/mlt_modules_juwels.sh @@ -11,7 +11,7 @@ module use $OTHERSTAGES ml Stages/2020 ml GCCcore/.10.3.0 -# ml Jupyter/2021.3.1-Python-3.8.5 +ml Jupyter/2021.3.1-Python-3.8.5 ml Python/3.8.5 ml TensorFlow/2.5.0-Python-3.8.5 ml SciPy-Stack/2021-Python-3.8.5 diff --git a/HPC_setup/setup_venv_hdfml.sh b/HPC_setup/setup_venv_hdfml.sh index 5f10680e1bdcbbdad1dfe8992e83ead93eeb53da..e10fc7a4c195af7e0b817107e7f239fa9f77714f 100644 --- a/HPC_setup/setup_venv_hdfml.sh +++ b/HPC_setup/setup_venv_hdfml.sh @@ -31,13 +31,13 @@ echo "##### FINISH INSTALLING requirements_HDFML_additionals.txt #####" # pip install --ignore-installed matplotlib==3.2.0 # pip install --ignore-installed pandas==1.0.1 # pip install --ignore-installed statsmodels==0.11.1 -pip install --ignore-installed tabulate -pip install -U typing_extensions +# pip install --ignore-installed tabulate +# pip install -U typing_extensions # see wiki on hdfml for information oh h5py: # https://gitlab.version.fz-juelich.de/haf/Wiki/-/wikis/HDF-ML%20System export CC=mpicc export HDF5_MPI="ON" pip install --no-binary=h5py h5py -pip install --ignore-installed netcdf4==1.5.4 +# pip install --ignore-installed netcdf4==1.5.4 diff --git a/HPC_setup/setup_venv_juwels.sh b/HPC_setup/setup_venv_juwels.sh index b4936e76a32ba31b316eccba0d2c65da859d135c..07b97f1c3edc48ed9ad87169afd380eaad3cf694 100755 --- a/HPC_setup/setup_venv_juwels.sh +++ b/HPC_setup/setup_venv_juwels.sh @@ -31,6 +31,6 @@ echo "##### FINISH INSTALLING requirements_JUWELS_additionals.txt #####" # pip install --ignore-installed matplotlib==3.2.0 # pip install --ignore-installed pandas==1.0.1 -pip install -U typing_extensions +# pip install -U typing_extensions # Comment: Maybe we have to export PYTHONPATH a second time ater activating the venv (after job allocation) diff --git a/requirements.txt b/requirements.txt index 8d21c80db974033c94985821564e26cbb4aa8088..c3deca92faa6363e6585b16ba1934039d6ad410a 100644 --- a/requirements.txt +++ b/requirements.txt @@ -2,6 +2,7 @@ astropy==4.1 auto_mix_prep==0.2.0 Cartopy==0.18.0 +dask==2021.3.0 dill==0.3.3 keras==2.6.0 keras_nightly==2.5.0.dev2021032900 @@ -10,6 +11,7 @@ mock==4.0.3 numpy==1.19.5 pandas==1.1.5 psutil==5.8.0 +pydot==1.4.2 pytest==6.2.2 requests==2.25.1 scipy==1.5.2 @@ -17,6 +19,7 @@ seaborn==0.11.1 setuptools==47.1.0 six==1.15.0 statsmodels==0.12.2 +tabulate==0.8.9 tensorflow==2.5.0 typing_extensions==3.7.4.3 wget==3.2