environment.lock.yml

name: RuCatEvaluator
channels:
  - conda-forge
  - denoptim-project
  - defaults
dependencies:
  - autocompchem=2.0.1=1
  - blas=1.0=openblas
  - bottleneck=1.3.7=py311hb3a5e46_0
  - bzip2=1.0.8=h6c40b1e_5
  - ca-certificates=2024.3.11=hecd8cb5_0
  - cairo=1.16.0=h3ce6f7e_5
  - denoptim=4.2.0=h694c41f_0
  - dftd4=3.6.0=h6d98783_0
  - expat=2.6.2=hcec6c5f_0
  - fontconfig=2.14.2=h5bb23bf_0
  - freetype=2.12.1=hd8bbffd_0
  - gettext=0.21.1=h8a4c099_0
  - glib=2.78.4=hcec6c5f_0
  - glib-tools=2.78.4=hcec6c5f_0
  - icu=73.2=hf5e326d_0
  - libblas=3.9.0=22_osx64_openblas
  - libcxx=14.0.6=h9765a3e_0
  - libffi=3.4.4=hecd8cb5_0
  - libgfortran=5.0.0=13_2_0_h97931a8_3
  - libgfortran5=13.2.0=h2873a65_3
  - libglib=2.78.4=h19e1a8f_0
  - libiconv=1.17=hd75f5a5_2
  - liblapack=3.9.0=22_osx64_openblas
  - libopenblas=0.3.27=openmp_hfef2a42_0
  - libpng=1.6.39=h6c40b1e_0
  - libxml2=2.12.6=hc0ae0f7_2
  - libzlib=1.2.13=h8a1eda9_5
  - llvm-openmp=18.1.3=hb6ac08f_0
  - mctc-lib=0.3.1=h5f0aba5_0
  - ncurses=6.4=hcec6c5f_0
  - numexpr=2.8.7=py311h91b6869_0
  - numpy=1.26.4=py311h91b6869_0
  - numpy-base=1.26.4=py311hb3ec012_0
  - openbabel=3.1.1=py311hb239859_8
  - openjdk=11.0.13=h8346a28_0
  - openssl=3.0.13=hca72f7f_0
  - pandas=2.2.1=py311hdb55bb0_0
  - pcre2=10.42=h9b97e30_0
  - pip=23.3.1=py311hecd8cb5_0
  - pixman=0.40.0=h9ed2024_1
  - py4j=0.10.9.7=py311hecd8cb5_0
  - python=3.11.9=hf27a42d_0
  - python-dateutil=2.8.2=pyhd3eb1b0_0
  - python-tzdata=2023.3=pyhd3eb1b0_0
  - python_abi=3.11=2_cp311
  - pytz=2024.1=py311hecd8cb5_0
  - readline=8.2=hca72f7f_0
  - setuptools=68.2.2=py311hecd8cb5_0
  - simple-dftd3=1.0.0=h16f0d12_0
  - six=1.16.0=pyhd3eb1b0_1
  - sqlite=3.41.2=h6c40b1e_0
  - tblite=0.3.0=h5319da8_1
  - tk=8.6.12=h5d9f67b_0
  - toml-f=0.4.2=he7e6219_0
  - tzdata=2024a=h04d1e81_0
  - wheel=0.41.2=py311hecd8cb5_0
  - xtb=6.6.1=h6d98783_0
  - xz=5.4.6=h6c40b1e_0
  - zlib=1.2.13=h8a1eda9_5