update requirement names

HPC_setup/requirements_HDFML_additionals.txt

+coverage==5.0.3
+importlib-metadata==1.5.0
+matplotlib==3.2.0              # in SciPy-Stack
+netcdf4
+pandas==1.0.1                  # in SciPy-Stack
+patsy==0.5.1                   #
+py==1.8.1                      # ?
+pyproj==2.5.0                  # in basemap
+pyshp==2.1.0                   # in basemap
+pytest==5.3.5                  # in python (but we need higher version) 
+pytest-cov==2.8.1
+pytest-html==2.0.1
+pytest-lazy-fixture==0.6.3
+pytest-metadata==1.8.0
+pytest-sugar
+statsmodels==0.11.1              # (in jupyter, bit not oh hdfml)
+xarray==0.15.0                 # in SciPy-Stacki (v0.12.1, only)
+zipp==3.1.0                    
+tabulate

HPC_setup/requirements_HDFML_outcommented.txt

-# absl-py==0.9.0                 # in TensorFlow
-# astor==0.8.1                   # in TF
-# atomicwrites==1.3.0            # in Python
-# attrs==19.3.0                  # in Python
-# Cartopy==0.17.0
-# certifi==2019.11.28            # in Python
-# chardet==3.0.4                 # in Python
-# cloudpickle==1.3.0             # in Python 
-coverage==5.0.3
-# cycler==0.10.0                 # in SciPy-Stack
-# Cython==0.29.15                # in Python
-# dask==2.11.0                   # in dask
-# fsspec==0.6.2                  # in Jupyter/ Dask
-# gast==0.3.3                    # in TF
-# grpcio==1.27.2                 # in TF
-# h5py==2.10.0                   # in Jupyteri/ will be installed via pip, see setup_venv_hdfml.sh
-# idna==2.8                      # in Jupyter/ Python
-importlib-metadata==1.5.0
-# Keras==2.2.4                   # in Keras
-# Keras-Applications==1.0.8      # in TF
-# Keras-Preprocessing==1.1.0     # in TF 
-# kiwisolver==1.1.0              # in SciPy-Stack
-# locket==0.2.0                  # in Jupyter / Dask
-# Markdown==3.2.1                # in TF 
-matplotlib==3.2.0              # in SciPy-Stack 
-# mock==4.0.1                    # in Python 
-# more-itertools==8.2.0          # in Python 
-# numpy==1.18.1                  # in SciPy-Stack
-netcdf4
-# packaging==20.3                # in Python
-pandas==1.0.1                  # in SciPy-Stack
-# partd==1.1.0                   # in dask
-patsy==0.5.1                   #  
-# Pillow==7.0.0                  # in Python 
-# pluggy==0.13.1                 # in Python
-# protobuf==3.11.3               # in Python 
-py==1.8.1                      # ?
-# pydot==1.4.1                   # in Python
-# pyparsing==2.4.6               # in Python
-pyproj==2.5.0                  # in basemap
-pyshp==2.1.0                   # in basemap
-pytest==5.3.5                  # in python (but we need higher version) 
-pytest-cov==2.8.1
-pytest-html==2.0.1
-pytest-lazy-fixture==0.6.3
-pytest-metadata==1.8.0
-pytest-sugar
-# python-dateutil==2.8.1         # in Python 
-# pytz==2019.3                   # in Python 
-# PyYAML==5.3                    # in Python 
-# requests==2.23.0               # in Python 
-# scipy==1.4.1                   # in SciPy-Stack
-# seaborn==0.10.0                # in SciPy-Stack
-# --no-binary shapely Shapely==1.7.0
-# six==1.11.0                    # in Python
-statsmodels==0.11.1              # (in jupyter, bit not oh hdfml)
-# tensorboard==1.13.1            # in TF
-# tensorflow-estimator==1.13.0   # in TF
-# tensorflow-gpu==1.13.1         # TF
-# termcolor==1.1.0               # in TF 
-# toolz==0.10.0                  # in Python
-# urllib3==1.25.8                # in Python
-# wcwidth==0.1.8                 # in Python 
-# Werkzeug==1.0.0                # in python
-xarray==0.15.0                 # in SciPy-Stacki (v0.12.1, only)
-zipp==3.1.0                    
-tabulate

HPC_setup/requirements_JUWELS_additionals.txt

+coverage==5.0.3
+importlib-metadata==1.5.0
+matplotlib==3.2.0              # in SciPy-Stack
+pandas==1.0.1                  # in SciPy-Stack / but older version
+py==1.8.1                      # ?
+pyproj==2.5.0                  # in basemap
+pyshp==2.1.0                   # in basemap
+pytest==5.3.5                  # in python (but we need higher version) 
+pytest-cov==2.8.1
+pytest-html==2.0.1
+pytest-lazy-fixture==0.6.3
+pytest-metadata==1.8.0
+pytest-sugar
+statsmodels==0.11.1              # (in Jupyter, but not found)
+xarray==0.15.0                 # in SciPy-Stack only 0.12.1 a
+tabulate

HPC_setup/requirements_JUWELS_outcommented.txt

-# absl-py==0.9.0                 # in TensorFlow
-# astor==0.8.1                   # in TF
-# atomicwrites==1.3.0            # in Python
-# attrs==19.3.0                  # in Python
-# Cartopy==0.17.0
-# certifi==2019.11.28            # in Python
-# chardet==3.0.4                 # in Python
-# cloudpickle==1.3.0             # in Python 
-coverage==5.0.3
-# cycler==0.10.0                 # in SciPy-Stack
-# Cython==0.29.15                # in Python
-# dask==2.11.0                   # in dask
-# fsspec==0.6.2                  # in Jupyter
-# gast==0.3.3                    # in TF
-# grpcio==1.27.2                 # in TF
-# h5py==2.10.0                   # in Jupyter
-# idna==2.8                      # in Jupyter
-importlib-metadata==1.5.0
-# Keras==2.2.4                   # in Keras
-# Keras-Applications==1.0.8      # in TF
-# Keras-Preprocessing==1.1.0     # in TF 
-# kiwisolver==1.1.0              # in SciPy-Stack
-# locket==0.2.0                  # in Jupyter
-# Markdown==3.2.1                # in TF 
-matplotlib==3.2.0              # in SciPy-Stack 
-# mock==4.0.1                    # in Python 
-# more-itertools==8.2.0          # in Python 
-# numpy==1.18.1                  # in SciPy-Stack
-# packaging==20.3                # in Python
-pandas==1.0.1                  # in SciPy-Stack / but older version
-# partd==1.1.0                   # in Jupyter
-# patsy==0.5.1                   # in Jupyter 
-# Pillow==7.0.0                  # in Python 
-# pluggy==0.13.1                 # in Python
-# protobuf==3.11.3               # in Python 
-py==1.8.1                      # ?
-# pydot==1.4.1                   # in Python
-# pyparsing==2.4.6               # in Python
-pyproj==2.5.0                  # in basemap
-pyshp==2.1.0                   # in basemap
-pytest==5.3.5                  # in python (but we need higher version) 
-pytest-cov==2.8.1
-pytest-html==2.0.1
-pytest-lazy-fixture==0.6.3
-pytest-metadata==1.8.0
-pytest-sugar
-# python-dateutil==2.8.1         # in Python 
-# pytz==2019.3                   # in Python 
-# PyYAML==5.3                    # in Python 
-# requests==2.23.0               # in Python 
-# scipy==1.4.1                   # in SciPy-Stack
-# seaborn==0.10.0                # in SciPy-Stack
-# --no-binary shapely Shapely==1.7.0
-# six==1.11.0                    # in Python
-statsmodels==0.11.1              # (in Jupyter, but not found)
-# tensorboard==1.13.1            # in TF
-# tensorflow-estimator==1.13.0   # in TF
-# tensorflow-gpu==1.13.1         # TF
-# termcolor==1.1.0               # in TF 
-# toolz==0.10.0                  # in Python
-# urllib3==1.25.8                # in Python
-# wcwidth==0.1.8                 # in Python 
-# Werkzeug==1.0.0                # in python
-xarray==0.15.0                 # in SciPy-Stack only 0.12.1 a
-# zipp==3.1.0                    # in Jupyter
-tabulate

HPC_setup/setup_venv_hdfml.sh

@@ -24,7 +24,7 @@ source ${cur}/../venv_hdfml/bin/activate
 # export path for side-packages 
 export PYTHONPATH=${cur}/../venv_hdfml/lib/python3.6/site-packages:${PYTHONPATH}
 
-pip install -r ${cur}/requirements_HDFML_outcommented.txt
+pip install -r ${cur}/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

HPC_setup/setup_venv_juwels.sh

@@ -24,7 +24,7 @@ source ${cur}/../venv_juwels/bin/activate
 # export path for side-packages 
 export PYTHONPATH=${cur}/../venv_juwels/lib/python3.6/site-packages:${PYTHONPATH}
 
-pip install -r ${cur}requirements_JUWELS_outcommented.txt
+pip install -r ${cur}/requirements_JUWELS_additionals.txt
 pip install --ignore-installed matplotlib==3.2.0
 pip install --ignore-installed pandas==1.0.1