solutionAnalysis/environment.yml at main · amritagos/solutionAnalysis · GitHub

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# $ micromamba create -f environment.yml
# $ micromamba activate soluenv
#

name: soluenv
channels:
  - conda-forge
# requirements:
#   build:
#     - {{ compiler('c') }}
#     - {{ compiler('c++') }}
dependencies:
  - python==3.10
  - ase
  - numpy
  - scipy
  - fmt
  - eigen
  - pkg-config
  - matplotlib
  - ipython
  - pandas
  - statsmodels
  - ipykernel
  - catch2
  # - cmake
    #- gcc
    # - clang
  # Packaging
  - flit
  - pytest==6.2.5
  - coverage==6.1.1
  - pytest-cov==3.0.0
  - flake8==3.9.2
  - mypy==0.910
  - black==21.10b0
  - isort==5.9.3
  - autoflake==1.4
  - flake8-docstrings==1.6.0
  - typer
  - meson
  - pybind11
  - meson-python
  - h5py
  # Examples
  - gdown
  - pip:
    # works for regular pip packages
    - lammps-logfile