Correcting enviroment and pytest

.github/workflows/python-app.yml

@@ -36,4 +36,4 @@ jobs:
         flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
     - name: Test with pytest
       run: |
-        pytest
+        pytest *.py

environment.yml

@@ -0,0 +1,217 @@
+name: flow_corrections
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  - _libgcc_mutex=0.1=conda_forge
+  - _openmp_mutex=4.5=2_kmp_llvm
+  - _py-xgboost-mutex=2.0=gpu_0
+  - alsa-lib=1.2.8=h166bdaf_0
+  - attr=2.5.1=h166bdaf_1
+  - boost-histogram=1.4.0=py310hd41b1e2_1
+  - brotli=1.1.0=hd590300_1
+  - brotli-bin=1.1.0=hd590300_1
+  - bzip2=1.0.8=hd590300_5
+  - ca-certificates=2023.11.17=hbcca054_0
+  - cairo=1.16.0=hbbf8b49_1016
+  - certifi=2023.11.17=pyhd8ed1ab_0
+  - click=8.1.7=unix_pyh707e725_0
+  - colorama=0.4.6=pyhd8ed1ab_0
+  - contourpy=1.2.0=py310hd41b1e2_0
+  - cramjam=2.7.0=py310hcb5633a_1
+  - cuda-cudart=12.0.107=hd3aeb46_7
+  - cuda-cudart_linux-64=12.0.107=h59595ed_7
+  - cuda-nvrtc=12.0.76=hd3aeb46_2
+  - cuda-nvtx=12.0.76=h59595ed_1
+  - cuda-version=12.0=hffde075_2
+  - cudnn=8.8.0.121=h264754d_4
+  - cycler=0.12.1=pyhd8ed1ab_0
+  - dbus=1.13.6=h5008d03_3
+  - exceptiongroup=1.2.0=pyhd8ed1ab_0
+  - expat=2.5.0=hcb278e6_1
+  - fastparquet=2023.10.1=py310h1f7b6fc_0
+  - filelock=3.13.1=pyhd8ed1ab_0
+  - font-ttf-dejavu-sans-mono=2.37=hab24e00_0
+  - font-ttf-inconsolata=3.000=h77eed37_0
+  - font-ttf-source-code-pro=2.038=h77eed37_0
+  - font-ttf-ubuntu=0.83=h77eed37_1
+  - fontconfig=2.14.2=h14ed4e7_0
+  - fonts-conda-ecosystem=1=0
+  - fonts-conda-forge=1=0
+  - fonttools=4.46.0=py310h2372a71_0
+  - freetype=2.12.1=h267a509_2
+  - fsspec=2023.12.1=pyhca7485f_0
+  - gettext=0.21.1=h27087fc_0
+  - glib=2.78.3=hfc55251_0
+  - glib-tools=2.78.3=hfc55251_0
+  - gmp=6.3.0=h59595ed_0
+  - gmpy2=2.1.2=py310h3ec546c_1
+  - graphite2=1.3.13=h58526e2_1001
+  - gst-plugins-base=1.22.3=h938bd60_1
+  - gstreamer=1.22.3=h977cf35_1
+  - harfbuzz=7.3.0=hdb3a94d_0
+  - hep_ml=0.7.2=pyhd8ed1ab_0
+  - hist=2.7.2=ha770c72_1
+  - hist-base=2.7.2=pyhd8ed1ab_1
+  - histoprint=2.4.0=pyhd8ed1ab_0
+  - icu=72.1=hcb278e6_0
+  - iminuit=2.24.0=py310hc6cd4ac_0
+  - iniconfig=2.0.0=pyhd8ed1ab_0
+  - jinja2=3.1.2=pyhd8ed1ab_1
+  - joblib=1.3.2=pyhd8ed1ab_0
+  - keyutils=1.6.1=h166bdaf_0
+  - kiwisolver=1.4.5=py310hd41b1e2_1
+  - krb5=1.20.1=h81ceb04_0
+  - lame=3.100=h166bdaf_1003
+  - lcms2=2.15=h7f713cb_2
+  - ld_impl_linux-64=2.40=h41732ed_0
+  - lerc=4.0.0=h27087fc_0
+  - libabseil=20230802.1=cxx17_h59595ed_0
+  - libblas=3.9.0=20_linux64_openblas
+  - libbrotlicommon=1.1.0=hd590300_1
+  - libbrotlidec=1.1.0=hd590300_1
+  - libbrotlienc=1.1.0=hd590300_1
+  - libcap=2.69=h0f662aa_0
+  - libcblas=3.9.0=20_linux64_openblas
+  - libclang=16.0.6=default_hb11cfb5_3
+  - libclang13=16.0.6=default_ha2b6cf4_3
+  - libcublas=12.0.1.189=hd3aeb46_3
+  - libcufft=11.0.0.21=hd3aeb46_2
+  - libcups=2.3.3=h36d4200_3
+  - libcurand=10.3.1.50=hd3aeb46_1
+  - libcusolver=11.4.2.57=hd3aeb46_2
+  - libcusparse=12.0.0.76=hd3aeb46_2
+  - libdeflate=1.19=hd590300_0
+  - libedit=3.1.20191231=he28a2e2_2
+  - libevent=2.1.12=hf998b51_1
+  - libexpat=2.5.0=hcb278e6_1
+  - libffi=3.4.2=h7f98852_5
+  - libflac=1.4.3=h59595ed_0
+  - libgcc-ng=13.2.0=h807b86a_3
+  - libgcrypt=1.10.3=hd590300_0
+  - libgfortran-ng=13.2.0=h69a702a_3
+  - libgfortran5=13.2.0=ha4646dd_3
+  - libglib=2.78.3=h783c2da_0
+  - libgpg-error=1.47=h71f35ed_0
+  - libhwloc=2.9.3=default_h554bfaf_1009
+  - libiconv=1.17=h166bdaf_0
+  - libjpeg-turbo=2.1.5.1=hd590300_1
+  - liblapack=3.9.0=20_linux64_openblas
+  - libllvm16=16.0.6=h5cf9203_2
+  - libmagma=2.7.2=h173bb3b_1
+  - libmagma_sparse=2.7.2=h173bb3b_1
+  - libnsl=2.0.1=hd590300_0
+  - libnvjitlink=12.0.76=hd3aeb46_2
+  - libogg=1.3.4=h7f98852_1
+  - libopenblas=0.3.25=pthreads_h413a1c8_0
+  - libopus=1.3.1=h7f98852_1
+  - libpng=1.6.39=h753d276_0
+  - libpq=15.3=hbcd7760_1
+  - libprotobuf=4.24.4=hf27288f_0
+  - libsndfile=1.2.2=hc60ed4a_1
+  - libsqlite=3.44.2=h2797004_0
+  - libstdcxx-ng=13.2.0=h7e041cc_3
+  - libsystemd0=255=h3516f8a_0
+  - libtiff=4.6.0=h29866fb_1
+  - libuuid=2.38.1=h0b41bf4_0
+  - libuv=1.46.0=hd590300_0
+  - libvorbis=1.3.7=h9c3ff4c_0
+  - libwebp-base=1.3.2=hd590300_0
+  - libxcb=1.15=h0b41bf4_0
+  - libxgboost=1.7.6=cuda120_h75debf4_6
+  - libxkbcommon=1.6.0=h5d7e998_0
+  - libxml2=2.11.5=h0d562d8_0
+  - libzlib=1.2.13=hd590300_5
+  - llvm-openmp=17.0.6=h4dfa4b3_0
+  - lz4-c=1.9.4=hcb278e6_0
+  - magma=2.7.2=h51420fd_1
+  - markupsafe=2.1.3=py310h2372a71_1
+  - matplotlib=3.8.2=py310hff52083_0
+  - matplotlib-base=3.8.2=py310h62c0568_0
+  - mkl=2022.2.1=h84fe81f_16997
+  - mpc=1.3.1=hfe3b2da_0
+  - mpfr=4.2.1=h9458935_0
+  - mpg123=1.32.3=h59595ed_0
+  - mplhep=0.3.31=pyhd8ed1ab_0
+  - mplhep_data=0.0.3=pyhd8ed1ab_0
+  - mpmath=1.3.0=pyhd8ed1ab_0
+  - munkres=1.1.4=pyh9f0ad1d_0
+  - mysql-common=8.0.33=hf1915f5_6
+  - mysql-libs=8.0.33=hca2cd23_6
+  - nccl=2.19.4.1=h3a97aeb_0
+  - ncurses=6.4=h59595ed_2
+  - networkx=3.2.1=pyhd8ed1ab_0
+  - nspr=4.35=h27087fc_0
+  - nss=3.95=h1d7d5a4_0
+  - numpy=1.26.2=py310hb13e2d6_0
+  - openjpeg=2.5.0=h488ebb8_3
+  - openssl=3.1.4=hd590300_0
+  - packaging=23.2=pyhd8ed1ab_0
+  - pandas=2.1.3=py310hcc13569_0
+  - pcre2=10.42=hcad00b1_0
+  - pillow=10.0.1=py310h29da1c1_1
+  - pip=23.3.1=pyhd8ed1ab_0
+  - pixman=0.42.2=h59595ed_0
+  - pluggy=1.3.0=pyhd8ed1ab_0
+  - ply=3.11=py_1
+  - pthread-stubs=0.4=h36c2ea0_1001
+  - pulseaudio-client=16.1=hb77b528_5
+  - py-xgboost=1.7.6=cuda120_py310h6bc6e9e_6
+  - pyparsing=3.1.1=pyhd8ed1ab_0
+  - pyqt=5.15.9=py310h04931ad_5
+  - pyqt5-sip=12.12.2=py310hc6cd4ac_5
+  - pytest=7.4.3=pyhd8ed1ab_0
+  - python=3.10.13=hd12c33a_0_cpython
+  - python-dateutil=2.8.2=pyhd8ed1ab_0
+  - python-tzdata=2023.3=pyhd8ed1ab_0
+  - python_abi=3.10=4_cp310
+  - pytorch=2.1.0=cuda120py310ha3a684c_301
+  - pytz=2023.3.post1=pyhd8ed1ab_0
+  - pyyaml=6.0.1=py310h5eee18b_0
+  - qt-main=5.15.8=h01ceb2d_12
+  - readline=8.2=h8228510_1
+  - scikit-learn=1.3.2=py310h1fdf081_2
+  - scipy=1.11.4=py310hb13e2d6_0
+  - setuptools=68.2.2=pyhd8ed1ab_0
+  - sip=6.7.12=py310hc6cd4ac_0
+  - six=1.16.0=pyh6c4a22f_0
+  - sleef=3.5.1=h9b69904_2
+  - sympy=1.12=pypyh9d50eac_103
+  - tbb=2021.11.0=h00ab1b0_0
+  - threadpoolctl=3.2.0=pyha21a80b_0
+  - tk=8.6.13=noxft_h4845f30_101
+  - toml=0.10.2=pyhd8ed1ab_0
+  - tomli=2.0.1=pyhd8ed1ab_0
+  - tornado=6.3.3=py310h2372a71_1
+  - typing-extensions=4.8.0=hd8ed1ab_0
+  - typing_extensions=4.8.0=pyha770c72_0
+  - tzdata=2023c=h71feb2d_0
+  - uhi=0.4.0=pyhd8ed1ab_0
+  - unicodedata2=15.1.0=py310h2372a71_0
+  - wheel=0.42.0=pyhd8ed1ab_0
+  - xcb-util=0.4.0=hd590300_1
+  - xcb-util-image=0.4.0=h8ee46fc_1
+  - xcb-util-keysyms=0.4.0=h8ee46fc_1
+  - xcb-util-renderutil=0.3.9=hd590300_1
+  - xcb-util-wm=0.4.1=h8ee46fc_1
+  - xgboost=1.7.6=cuda120_py310h6bc6e9e_6
+  - xkeyboard-config=2.40=hd590300_0
+  - xorg-kbproto=1.0.7=h7f98852_1002
+  - xorg-libice=1.1.1=hd590300_0
+  - xorg-libsm=1.2.4=h7391055_0
+  - xorg-libx11=1.8.7=h8ee46fc_0
+  - xorg-libxau=1.0.11=hd590300_0
+  - xorg-libxdmcp=1.1.3=h7f98852_0
+  - xorg-libxext=1.3.4=h0b41bf4_2
+  - xorg-libxrender=0.9.11=hd590300_0
+  - xorg-renderproto=0.11.1=h7f98852_1002
+  - xorg-xextproto=7.3.0=h0b41bf4_1003
+  - xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
+  - xorg-xproto=7.0.31=h7f98852_1007
+  - xz=5.2.6=h166bdaf_0
+  - yaml=0.2.5=h7f98852_2
+  - zlib=1.2.13=hd590300_5
+  - zstd=1.5.5=hfc55251_0
+  - pip:
+    - zuko==1.0.1
+prefix: /home/home1/institut_3a/daumann/.conda/envs/flow_corrections

flow_configuration.yaml

@@ -0,0 +1,11 @@
+# This file holds the configurations train a normalizing flow by the main.py file
+# You can set multiple configurations and the main file will loop trough them and perform diferent trainings
+
+configuration_6:
+    n_transforms   : 10
+    aux_nodes      : 512
+    aux_layers     : 3
+    n_splines_bins : 8
+    initial_lr     : 1.0e-3
+    batch_size     : 1024
+    max_epochs     : -35