From be632e2d9e75d235a241d51f0e66cb51a074475d Mon Sep 17 00:00:00 2001 From: Alex Morehead Date: Sat, 9 Mar 2024 20:07:15 -0600 Subject: [PATCH] Create environment.yaml --- environment.yaml | 254 +++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 254 insertions(+) create mode 100644 environment.yaml diff --git a/environment.yaml b/environment.yaml new file mode 100644 index 0000000..e5ba62e --- /dev/null +++ b/environment.yaml @@ -0,0 +1,254 @@ +name: RFAA +channels: + - pyg + - bioconda + - pytorch + - nvidia + - conda-forge +dependencies: + - _libgcc_mutex=0.1=conda_forge + - _openmp_mutex=4.5=2_kmp_llvm + - absl-py=2.1.0=pyhd8ed1ab_0 + - aiohttp=3.9.3=py310h2372a71_0 + - aiosignal=1.3.1=pyhd8ed1ab_0 + - asttokens=2.4.1=pyhd8ed1ab_0 + - astunparse=1.6.3=pyhd8ed1ab_0 + - async-timeout=4.0.3=pyhd8ed1ab_0 + - attrs=23.2.0=pyh71513ae_0 + - blas=2.121=mkl + - blas-devel=3.9.0=21_linux64_mkl + - blinker=1.7.0=pyhd8ed1ab_0 + - brotli-python=1.1.0=py310hc6cd4ac_1 + - bzip2=1.0.8=hd590300_5 + - c-ares=1.27.0=hd590300_0 + - ca-certificates=2024.2.2=hbcca054_0 + - cached-property=1.5.2=hd8ed1ab_1 + - cached_property=1.5.2=pyha770c72_1 + - cachetools=5.3.3=pyhd8ed1ab_0 + - cairo=1.16.0=ha61ee94_1014 + - certifi=2024.2.2=pyhd8ed1ab_0 + - cffi=1.16.0=py310h2fee648_0 + - charset-normalizer=3.3.2=pyhd8ed1ab_0 + - click=8.1.7=unix_pyh707e725_0 + - colorama=0.4.6=pyhd8ed1ab_0 + - cryptography=42.0.5=py310h75e40e8_0 + - cuda-cudart=11.8.89=0 + - cuda-cupti=11.8.87=0 + - cuda-libraries=11.8.0=0 + - cuda-nvrtc=11.8.89=0 + - cuda-nvtx=11.8.86=0 + - cuda-runtime=11.8.0=0 + - cuda-version=11.8=h70ddcb2_3 + - cudatoolkit=11.8.0=h4ba93d1_13 + - cudnn=8.8.0.121=hcdd5f01_4 + - deepdiff=6.7.1=pyhd8ed1ab_0 + - dgl=1.1.2=cuda112py310hc641c19_2 + - executing=2.0.1=pyhd8ed1ab_0 + - expat=2.6.1=h59595ed_0 + - ffmpeg=4.3=hf484d3e_0 + - filelock=3.13.1=pyhd8ed1ab_0 + - flatbuffers=22.12.06=hcb278e6_2 + - 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 + - freetype=2.12.1=h267a509_2 + - frozenlist=1.4.1=py310h2372a71_0 + - fsspec=2024.2.0=pyhca7485f_0 + - gast=0.4.0=pyh9f0ad1d_0 + - gettext=0.21.1=h27087fc_0 + - giflib=5.2.1=h0b41bf4_3 + - gmp=6.3.0=h59595ed_0 + - gmpy2=2.1.2=py310h3ec546c_1 + - gnutls=3.6.13=h85f3911_1 + - google-auth=2.28.2=pyhca7485f_0 + - google-auth-oauthlib=0.4.6=pyhd8ed1ab_0 + - google-pasta=0.2.0=pyh8c360ce_0 + - grpcio=1.51.1=py310h4a5735c_1 + - h5py=3.10.0=nompi_py310h65828d5_101 + - hdf5=1.14.3=nompi_h4f84152_100 + - hhsuite=3.3.0=py310pl5321h068649b_10 + - icecream=2.1.3=pyhd8ed1ab_0 + - icu=70.1=h27087fc_0 + - idna=3.6=pyhd8ed1ab_0 + - importlib-metadata=7.0.2=pyha770c72_0 + - jinja2=3.1.3=pyhd8ed1ab_0 + - joblib=1.3.2=pyhd8ed1ab_0 + - jpeg=9e=h0b41bf4_3 + - keras=2.11.0=pyhd8ed1ab_0 + - keras-preprocessing=1.1.2=pyhd8ed1ab_0 + - keyutils=1.6.1=h166bdaf_0 + - krb5=1.21.2=h659d440_0 + - lame=3.100=h166bdaf_1003 + - lcms2=2.15=hfd0df8a_0 + - ld_impl_linux-64=2.40=h41732ed_0 + - lerc=4.0.0=h27087fc_0 + - libabseil=20220623.0=cxx17_h05df665_6 + - libaec=1.1.2=h59595ed_1 + - libblas=3.9.0=21_linux64_mkl + - libcblas=3.9.0=21_linux64_mkl + - libcublas=11.11.3.6=0 + - libcufft=10.9.0.58=0 + - libcufile=1.9.0.20=0 + - libcurand=10.3.5.119=0 + - libcurl=8.5.0=hca28451_0 + - libcusolver=11.4.1.48=0 + - libcusparse=11.7.5.86=0 + - libdeflate=1.17=h0b41bf4_0 + - libedit=3.1.20191231=he28a2e2_2 + - libev=4.33=hd590300_2 + - libexpat=2.6.1=h59595ed_0 + - libffi=3.4.2=h7f98852_5 + - libgcc-ng=13.2.0=h807b86a_5 + - libgfortran-ng=13.2.0=h69a702a_5 + - libgfortran5=13.2.0=ha4646dd_5 + - libglib=2.78.4=hf2295e7_4 + - libgomp=13.2.0=h807b86a_5 + - libgrpc=1.51.1=h4fad500_1 + - libhwloc=2.9.1=hd6dc26d_0 + - libiconv=1.17=hd590300_2 + - liblapack=3.9.0=21_linux64_mkl + - liblapacke=3.9.0=21_linux64_mkl + - libnghttp2=1.58.0=h47da74e_1 + - libnpp=11.8.0.86=0 + - libnsl=2.0.1=hd590300_0 + - libnvjpeg=11.9.0.86=0 + - libpng=1.6.43=h2797004_0 + - libprotobuf=3.21.12=hfc55251_2 + - libsqlite=3.45.1=h2797004_0 + - libssh2=1.11.0=h0841786_0 + - libstdcxx-ng=13.2.0=h7e041cc_5 + - libtiff=4.5.0=h6adf6a1_2 + - libuuid=2.38.1=h0b41bf4_0 + - libuv=1.48.0=hd590300_0 + - libwebp-base=1.3.2=hd590300_0 + - libxcb=1.13=h7f98852_1004 + - libxcrypt=4.4.36=hd590300_1 + - libxml2=2.10.3=hca2bb57_4 + - libzlib=1.2.13=hd590300_5 + - llvm-openmp=17.0.6=h4dfa4b3_0 + - markdown=3.5.2=pyhd8ed1ab_0 + - markupsafe=2.1.5=py310h2372a71_0 + - metis=5.1.1=h59595ed_2 + - mkl=2024.0.0=ha957f24_49657 + - mkl-devel=2024.0.0=ha770c72_49657 + - mkl-include=2024.0.0=ha957f24_49657 + - mpc=1.3.1=hfe3b2da_0 + - mpfr=4.2.1=h9458935_0 + - mpmath=1.3.0=pyhd8ed1ab_0 + - multidict=6.0.5=py310h2372a71_0 + - nccl=2.20.5.1=h6103f9b_0 + - ncurses=6.4=h59595ed_2 + - nettle=3.6=he412f7d_0 + - networkx=3.2.1=pyhd8ed1ab_0 + - numpy=1.26.4=py310hb13e2d6_0 + - oauthlib=3.2.2=pyhd8ed1ab_0 + - openbabel=3.1.1=py310heaf86c6_5 + - openh264=2.1.1=h780b84a_0 + - openjpeg=2.5.0=hfec8fc6_2 + - openssl=3.2.1=hd590300_0 + - opt_einsum=3.3.0=pyhc1e730c_2 + - ordered-set=4.1.0=pyhd8ed1ab_0 + - orjson=3.9.15=py310hcb5633a_0 + - packaging=23.2=pyhd8ed1ab_0 + - pandas=2.2.1=py310hcc13569_0 + - pcre2=10.43=hcad00b1_0 + - perl=5.32.1=7_hd590300_perl5 + - pillow=9.4.0=py310h023d228_1 + - pip=24.0=pyhd8ed1ab_0 + - pixman=0.43.2=h59595ed_0 + - protobuf=4.21.12=py310heca2aa9_0 + - psutil=5.9.8=py310h2372a71_0 + - pthread-stubs=0.4=h36c2ea0_1001 + - pyasn1=0.5.1=pyhd8ed1ab_0 + - pyasn1-modules=0.3.0=pyhd8ed1ab_0 + - pycparser=2.21=pyhd8ed1ab_0 + - pyg=2.5.0=py310_torch_2.0.0_cu118 + - pygments=2.17.2=pyhd8ed1ab_0 + - pyjwt=2.8.0=pyhd8ed1ab_1 + - pyopenssl=24.0.0=pyhd8ed1ab_0 + - pyparsing=3.1.2=pyhd8ed1ab_0 + - pysocks=1.7.1=pyha2e5f31_6 + - python=3.10.13=hd12c33a_1_cpython + - python-dateutil=2.9.0=pyhd8ed1ab_0 + - python-flatbuffers=24.3.6=pyh59ac667_0 + - python-tzdata=2024.1=pyhd8ed1ab_0 + - python_abi=3.10=4_cp310 + - pytorch=2.0.1=py3.10_cuda11.8_cudnn8.7.0_0 + - pytorch-cuda=11.8=h7e8668a_5 + - pytorch-mutex=1.0=cuda + - pytz=2024.1=pyhd8ed1ab_0 + - pyu2f=0.1.5=pyhd8ed1ab_0 + - re2=2023.02.01=hcb278e6_0 + - readline=8.2=h8228510_1 + - requests=2.31.0=pyhd8ed1ab_0 + - requests-oauthlib=1.3.1=pyhd8ed1ab_0 + - rsa=4.9=pyhd8ed1ab_0 + - scikit-learn=1.4.1.post1=py310h1fdf081_0 + - scipy=1.12.0=py310hb13e2d6_2 + - setuptools=69.1.1=pyhd8ed1ab_0 + - six=1.16.0=pyh6c4a22f_0 + - snappy=1.1.10=h9fff704_0 + - sympy=1.12=pypyh9d50eac_103 + - tbb=2021.9.0=hf52228f_0 + - tensorboard=2.11.2=pyhd8ed1ab_0 + - tensorboard-data-server=0.6.1=py310h600f1e7_4 + - tensorboard-plugin-wit=1.8.1=pyhd8ed1ab_0 + - tensorflow=2.11.0=cuda112py310he87a039_0 + - tensorflow-base=2.11.0=cuda112py310h52da4a5_0 + - tensorflow-estimator=2.11.0=cuda112py310h37add04_0 + - termcolor=2.4.0=pyhd8ed1ab_0 + - threadpoolctl=3.3.0=pyhc1e730c_0 + - tk=8.6.13=noxft_h4845f30_101 + - torchaudio=2.0.2=py310_cu118 + - torchtriton=2.0.0=py310 + - torchvision=0.15.2=py310_cu118 + - tqdm=4.66.2=pyhd8ed1ab_0 + - typing-extensions=4.10.0=hd8ed1ab_0 + - typing_extensions=4.10.0=pyha770c72_0 + - tzdata=2024a=h0c530f3_0 + - urllib3=2.2.1=pyhd8ed1ab_0 + - werkzeug=3.0.1=pyhd8ed1ab_0 + - wheel=0.42.0=pyhd8ed1ab_0 + - wrapt=1.16.0=py310h2372a71_0 + - xorg-kbproto=1.0.7=h7f98852_1002 + - xorg-libice=1.1.1=hd590300_0 + - xorg-libsm=1.2.4=h7391055_0 + - xorg-libx11=1.8.4=h0b41bf4_0 + - xorg-libxau=1.0.11=hd590300_0 + - xorg-libxdmcp=1.1.3=h7f98852_0 + - xorg-libxext=1.3.4=h0b41bf4_2 + - xorg-libxrender=0.9.10=h7f98852_1003 + - xorg-renderproto=0.11.1=h7f98852_1002 + - xorg-xextproto=7.3.0=h0b41bf4_1003 + - xorg-xproto=7.0.31=h7f98852_1007 + - xz=5.2.6=h166bdaf_0 + - yarl=1.9.4=py310h2372a71_0 + - zipp=3.17.0=pyhd8ed1ab_0 + - zlib=1.2.13=hd590300_5 + - zstd=1.5.5=hfc55251_0 + - pip: + - antlr4-python3-runtime==4.9.3 + - assertpy==1.1 + - configparser==6.0.1 + - dllogger==1.0.0 + - docker-pycreds==0.4.0 + - e3nn==0.3.3 + - gitdb==4.0.11 + - gitpython==3.1.42 + - hydra-core==1.3.2 + - omegaconf==2.3.0 + - opt-einsum-fx==0.1.4 + - pathtools==0.1.2 + - promise==2.3 + - pynvml==11.0.0 + - pyrsistent==0.20.0 + - pyyaml==6.0.1 + - sentry-sdk==1.41.0 + - shortuuid==1.0.12 + - smmap==5.0.1 + - subprocess32==3.5.4 + - wandb==0.12.0