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Merge pull request mala-project#614 from mala-project/align_mala_version
Align MALA version
2 parents c2e1bb7 + a769f3e commit dddccd4

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‎.github/workflows/cpu-tests.yml‎

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# install mala package
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pip --no-cache-dir install -e .[opt,test] --no-build-isolation
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- name: Check if Conda environment meets the specified requirements
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shell: 'bash -c "docker exec -i mala-cpu bash < {0}"'
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run: |
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# export Conda environment _with_ mala package installed in it (and extra dependencies)
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conda env export -n mala-cpu > env_after.yml
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# This command is necessary because conda includes even editable
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# packages in an export, at least in the versions we recently used.
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# That of course leads to the diff failing, since MALA can never
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# be there before it has been installed.
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sed -i '/materials-learning-algorithms/d' ./env_after.yml
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# if comparison fails, `install/mala_cpu_[base]_environment.yml` needs to be aligned with
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# `requirements.txt` and/or extra dependencies are missing in the Docker Conda environment
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if diff --brief env_before.yml env_after.yml
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then
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echo "Files env_before.yml and env_after.yml do not differ."
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else
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diff --side-by-side --color-always env_before.yml env_after.yml
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diff --side-by-side env_before.yml env_after.yml
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fi
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- name: Download test data repository from RODARE

‎.github/workflows/gh-pages.yml‎

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- name: Setup Python
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uses: actions/setup-python@v5
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with:
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python-version: '3.12'
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python-version: '3.10.4'
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- name: Upgrade pip
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run: python3 -m pip install --upgrade pip
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- name: Setup Python
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uses: actions/setup-python@v5
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with:
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python-version: '3.12'
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python-version: '3.10.4'
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- name: Upgrade pip
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run: python3 -m pip install --upgrade pip

‎docs/source/install/installing_mala.rst‎

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Prerequisites
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**************
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MALA does not depend on a specific Python version. The most recent Python
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version it has been tested with successfully is Python ``3.10.4``.
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MALA supports any Python version starting from ``3.10.4``. No upper limit on
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Python versions are enforced. The most recent *tested* version is ``3.10.12``.
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MALA requires ``torch`` in order to function. As the installation of torch
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depends highly on the architecture you are using, ``torch`` will not

‎install/mala_cpu_base_environment.yml‎

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- conda-forge
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- defaults
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dependencies:
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- python>=3.6, <3.9
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- python=3.10.4
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- pip
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- numpy
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- scipy

‎install/mala_cpu_environment.yml‎

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dependencies:
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- _libgcc_mutex=0.1
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- _openmp_mutex=4.5
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- absl-py=1.3.0
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- aiohttp=3.8.3
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- aiosignal=1.3.1
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- alembic=1.9.1
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- ase=3.22.1
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- async-timeout=4.0.2
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- attrs=22.2.0
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- autopage=0.5.1
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- backports=1.0
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- backports.functools_lru_cache=1.6.4
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- blinker=1.5
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- brotli=1.0.9
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- brotli-bin=1.0.9
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- brotlipy=0.7.0
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- absl-py=2.1.0
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- alembic=1.14.0
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- ase=3.23.0
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- blinker=1.9.0
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- brotli-bin=1.1.0
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- brotli-python=1.0.9
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- bzip2=1.0.8
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- c-ares=1.18.1
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- ca-certificates=2022.12.7
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- cachetools=5.2.0
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- certifi=2022.12.7
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- cffi=1.15.1
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- charset-normalizer=2.1.1
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- click=8.1.3
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- cliff=3.10.1
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- cmaes=0.9.0
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- cmd2=2.4.2
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- c-ares=1.34.3
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- ca-certificates=2024.9.24
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- click=8.1.7
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- colorama=0.4.6
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- colorlog=6.7.0
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- contourpy=1.0.6
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- cryptography=38.0.4
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- cycler=0.11.0
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- flask=2.2.2
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- fonttools=4.38.0
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- colorlog=6.9.0
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- cycler=0.12.1
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- filelock=3.16.1
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- flask=3.1.0
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- freetype=2.12.1
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- frozenlist=1.3.3
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- google-auth=2.15.0
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- google-auth-oauthlib=0.4.6
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- greenlet=2.0.1
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- grpcio=1.51.1
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- icu=70.1
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- idna=3.4
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- importlib-metadata=4.11.4
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- importlib_resources=5.10.1
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- itsdangerous=2.1.2
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- jinja2=3.1.2
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- jpeg=9e
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- kiwisolver=1.4.4
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- lcms2=2.14
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- ld_impl_linux-64=2.39
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- fsspec=2024.10.0
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- gmp=6.3.0
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- importlib-metadata=8.5.0
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- importlib_resources=6.4.5
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- itsdangerous=2.2.0
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- jinja2=3.1.4
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- lcms2=2.16
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- ld_impl_linux-64=2.43
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- lerc=4.0.0
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- libabseil=20220623.0
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- libabseil=20240722.0
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- libblas=3.9.0
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- libbrotlicommon=1.0.9
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- libbrotlidec=1.0.9
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- libbrotlienc=1.0.9
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- libbrotlicommon=1.1.0
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- libbrotlidec=1.1.0
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- libbrotlienc=1.1.0
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- libcblas=3.9.0
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- libdeflate=1.14
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- libdeflate=1.22
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- libffi=3.4.2
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- libgcc-ng=12.2.0
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- libgfortran-ng=12.3.0
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- libgfortran5=12.3.0
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- libgrpc=1.51.1
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- libhwloc=2.8.0
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- libgcc=14.2.0
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- libgcc-ng=14.2.0
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- libgfortran=14.2.0
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- libgfortran5=14.2.0
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- libgrpc=1.67.1
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- libhwloc=2.11.1
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- libiconv=1.17
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- libjpeg-turbo=3.0.0
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- liblapack=3.9.0
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- libnsl=2.0.0
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- libopenblas=0.3.21
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- libpng=1.6.39
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- libprotobuf=3.21.12
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- libsqlite=3.40.0
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- libstdcxx-ng=12.2.0
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- libtiff=4.5.0
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- libuuid=2.32.1
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- libwebp-base=1.2.4
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- libxcb=1.13
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- libxml2=2.10.3
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- libzlib=1.2.13
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- llvm-openmp=15.0.6
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- mako=1.2.4
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- markdown=3.4.1
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- markupsafe=2.1.1
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- matplotlib-base=3.6.2
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- mkl=2022.2.1
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- mpmath=1.2.1
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- multidict=6.0.2
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- libnsl=2.0.1
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- libopenblas=0.3.28
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- libpng=1.6.44
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- libprotobuf=5.28.2
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- libre2-11=2024.07.02
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- libsqlite=3.47.0
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- libstdcxx=14.2.0
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- libstdcxx-ng=14.2.0
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- libtiff=4.7.0
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- libtorch=2.5.1
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- libuuid=2.38.1
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- libuv=1.49.2
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- libwebp-base=1.4.0
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- libxcb=1.17.0
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- libxml2=2.13.5
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- libzlib=1.3.1
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- llvm-openmp=19.1.4
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- mako=1.3.6
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- markdown=3.6
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- matplotlib-base=3.9.2
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- mkl=2024.2.2
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- mpc=1.3.1
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- mpfr=4.2.1
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- mpmath=1.3.0
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- munkres=1.1.4
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- ncurses=6.3
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- ninja=1.11.0
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- numpy=1.24.0
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- oauthlib=3.2.2
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- openjpeg=2.5.0
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- openssl=3.3.1
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- optuna=3.0.5
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- packaging=22.0
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- pandas=1.5.2
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- pbr=5.11.0
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- pillow=9.2.0
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- pip=22.3.1
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- prettytable=3.5.0
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- protobuf=4.21.12
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- ncurses=6.5
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- networkx=3.4.2
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- openjpeg=2.5.2
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- openssl=3.4.0
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- optuna=4.1.0
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- packaging=24.2
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- pip=24.3.1
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- pthread-stubs=0.4
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- pyasn1=0.4.8
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- pyasn1-modules=0.2.7
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- pycparser=2.21
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- pyjwt=2.6.0
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- pyopenssl=22.1.0
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- pyparsing=3.0.9
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- pyperclip=1.8.2
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- pysocks=1.7.1
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- python=3.8.16
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- python-dateutil=2.8.2
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- python_abi=3.8
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- pytorch=1.13.0
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- pytorch-cpu=1.13.0
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- pytz=2022.7
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- pyu2f=0.1.5
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- pyyaml=6.0
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- re2=2022.06.01
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- readline=8.1.2
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- requests=2.28.1
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- requests-oauthlib=1.3.1
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- rsa=4.9
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- scipy=1.8.1
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- scikit-spatial=6.8.1
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- setuptools=59.8.0
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- pyparsing=3.2.0
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- python=3.10.4
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- python-dateutil=2.9.0.post0
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- python-tzdata=2024.2
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- python_abi=3.10
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- pytorch=2.5.1
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- pytorch-cpu=2.5.1
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- pytz=2024.1
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- qhull=2020.2
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- re2=2024.07.02
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- readline=8.2
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- scikit-spatial=8.0.0
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- setuptools=75.6.0
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- six=1.16.0
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- sleef=3.5.1
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- sqlalchemy=1.4.45
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- stevedore=4.1.1
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- tbb=2021.7.0
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- tensorboard=2.11.0
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- tensorboard-data-server=0.6.1
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- tensorboard-plugin-wit=1.8.1
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- tk=8.6.12
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- tqdm=4.64.1
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- typing-extensions=4.4.0
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- typing_extensions=4.4.0
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- unicodedata2=15.0.0
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- urllib3=1.26.13
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- wcwidth=0.2.5
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- werkzeug=2.2.2
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- wheel=0.38.4
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- xorg-libxau=1.0.9
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- xorg-libxdmcp=1.1.3
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- sleef=3.7
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- sqlite=3.47.0
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- sympy=1.13.3
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- tbb=2021.13.0
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- tensorboard=2.18.0
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- tk=8.6.13
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- tqdm=4.67.1
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- typing-extensions=4.12.2
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- typing_extensions=4.12.2
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- tzdata=2024b
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- werkzeug=3.1.3
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- wheel=0.45.1
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- xorg-libxau=1.0.11
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- xorg-libxdmcp=1.1.5
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- xz=5.2.6
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- yaml=0.2.5
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- yarl=1.8.1
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- zipp=3.11.0
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- zlib=1.2.13
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- zstd=1.5.5
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- zipp=3.21.0
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- zstd=1.5.6
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- pip:
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- openpmd-api==0.15.2
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- brotli==1.0.9
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- certifi==2024.8.30
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- charset-normalizer==3.4.0
119+
- contourpy==1.3.1
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- fonttools==4.55.0
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- gmpy2==2.1.5
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- greenlet==3.1.1
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- grpcio==1.67.1
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- idna==3.10
125+
- kiwisolver==1.4.7
126+
- markupsafe==3.0.2
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- matplotlib==3.9.2
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- numpy==1.26.4
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- oauthlib==3.2.2
130+
- openpmd-api==0.15.2
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- pandas==2.2.3
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- pillow==11.0.0
133+
- protobuf==3.19.6
134+
- pysocks==1.7.1
135+
- pyyaml==6.0.2
136+
- requests==2.32.3
137+
- scipy==1.14.1
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- sqlalchemy==2.0.36
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- tensorboard-data-server==0.7.0
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- torch==2.5.1.post103
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- unicodedata2==15.1.0

‎setup.py‎

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zip_safe=False,
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install_requires=open("requirements.txt").read().splitlines(),
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extras_require=extras,
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python_requires=">=3.10.4",
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)

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