Files
vina_docking_batch/environment.yaml
lingyuzeng 05ce8823f8 first add
2025-08-02 21:54:31 +08:00

159 lines
5.1 KiB
YAML

name: vina
channels:
- conda-forge
dependencies:
- _openmp_mutex=4.5=2_gnu
- asttokens=3.0.0=pyhd8ed1ab_1
- biopython=1.85=py311ha879c10_1
- brotli=1.1.0=h86ecc28_3
- brotli-bin=1.1.0=h86ecc28_3
- brotli-python=1.1.0=py311h89d996e_3
- bzip2=1.0.8=h68df207_7
- ca-certificates=2025.7.14=hbd8a1cb_0
- cairo=1.18.4=h83712da_0
- certifi=2025.7.14=pyhd8ed1ab_0
- cffi=1.17.1=py311h14e8bb7_0
- chardet=5.2.0=pyhd8ed1ab_3
- charset-normalizer=3.4.2=pyhd8ed1ab_0
- contourpy=1.3.3=py311hfca10b7_0
- cycler=0.12.1=pyhd8ed1ab_1
- cyrus-sasl=2.1.28=h6c5dea3_0
- decorator=5.2.1=pyhd8ed1ab_0
- exceptiongroup=1.3.0=pyhd8ed1ab_0
- executing=2.2.0=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_3
- fontconfig=2.15.0=h8dda3cd_1
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.59.0=py311h164a683_0
- freetype=2.13.3=h8af1aa0_1
- freetype-py=2.3.0=pyhd8ed1ab_0
- gemmi=0.7.3=py311ha7f510e_1
- greenlet=3.2.3=py311h89d996e_0
- h2=4.2.0=pyhd8ed1ab_0
- hpack=4.1.0=pyhd8ed1ab_0
- hyperframe=6.1.0=pyhd8ed1ab_0
- icu=75.1=hf9b3779_0
- idna=3.10=pyhd8ed1ab_1
- ipython=9.4.0=pyhfa0c392_0
- ipython_pygments_lexers=1.1.1=pyhd8ed1ab_0
- jedi=0.19.2=pyhd8ed1ab_1
- joblib=1.5.1=pyhd8ed1ab_0
- keyutils=1.6.1=h4e544f5_0
- kiwisolver=1.4.8=py311h75754e6_1
- krb5=1.21.3=h50a48e9_0
- lcms2=2.17=hc88f144_0
- ld_impl_linux-aarch64=2.44=h5e2c951_1
- lerc=4.0.0=hfdc4d58_1
- libblas=3.9.0=32_h1a9f1db_openblas
- libboost=1.86.0=h4d13611_3
- libboost-python=1.86.0=py311hb9acf69_3
- libbrotlicommon=1.1.0=h86ecc28_3
- libbrotlidec=1.1.0=h86ecc28_3
- libbrotlienc=1.1.0=h86ecc28_3
- libcblas=3.9.0=32_hab92f65_openblas
- libdeflate=1.24=he377734_0
- libedit=3.1.20250104=pl5321h976ea20_0
- libexpat=2.7.1=hfae3067_0
- libffi=3.4.6=he21f813_1
- libfreetype=2.13.3=h8af1aa0_1
- libfreetype6=2.13.3=he93130f_1
- libgcc=15.1.0=he277a41_4
- libgcc-ng=15.1.0=he9431aa_4
- libgfortran=15.1.0=he9431aa_4
- libgfortran5=15.1.0=hbc25352_4
- libglib=2.84.2=hc022ef1_0
- libgomp=15.1.0=he277a41_4
- libiconv=1.18=hc99b53d_1
- libjpeg-turbo=3.1.0=h86ecc28_0
- liblapack=3.9.0=32_h411afd4_openblas
- liblzma=5.8.1=h86ecc28_2
- libnsl=2.0.1=h86ecc28_1
- libntlm=1.4=hf897c2e_1002
- libopenblas=0.3.30=pthreads_h9d3fd7e_1
- libpng=1.6.50=h1abf092_1
- libpq=17.5=hf590da8_0
- librdkit=2025.03.5=h455954b_0
- libsqlite=3.50.4=h022381a_0
- libstdcxx=15.1.0=h3f4de04_4
- libstdcxx-ng=15.1.0=hf1166c9_4
- libtiff=4.7.0=h7c15681_5
- libuuid=2.38.1=hb4cce97_0
- libwebp-base=1.6.0=ha2e29f5_0
- libxcb=1.17.0=h262b8f6_0
- libxcrypt=4.4.36=h31becfc_1
- libzlib=1.3.1=h86ecc28_2
- markdown-it-py=3.0.0=pyhd8ed1ab_1
- matplotlib-base=3.10.3=py311h0385ec1_0
- matplotlib-inline=0.1.7=pyhd8ed1ab_1
- mdurl=0.1.2=pyhd8ed1ab_1
- meeko=0.6.1=pyhd8ed1ab_0
- munkres=1.1.4=pyhd8ed1ab_1
- ncurses=6.5=ha32ae93_3
- numpy=1.26.4=py311h69ead2a_0
- openjpeg=2.5.3=h3f56577_0
- openldap=2.6.10=h30c48ee_0
- openssl=3.5.1=hd08dc88_0
- packaging=25.0=pyh29332c3_1
- pandas=2.3.1=py311hffd966a_0
- parallel=20250622=h8af1aa0_0
- parso=0.8.4=pyhd8ed1ab_1
- pcre2=10.45=hf4ec17f_0
- perl=5.32.1=7_h31becfc_perl5
- pexpect=4.9.0=pyhd8ed1ab_1
- pickleshare=0.7.5=pyhd8ed1ab_1004
- pillow=11.3.0=py311ha4eaa5e_0
- pip=25.2=pyh8b19718_0
- pixman=0.46.4=h3945e86_0
- prody=2.4.1=pyh5e1b82b_2
- prompt-toolkit=3.0.51=pyha770c72_0
- pthread-stubs=0.4=h86ecc28_1002
- ptyprocess=0.7.0=pyhd8ed1ab_1
- pure_eval=0.2.3=pyhd8ed1ab_1
- pycairo=1.28.0=py311h0c1bbf2_0
- pycparser=2.22=pyh29332c3_1
- pygments=2.19.2=pyhd8ed1ab_0
- pyparsing=3.1.1=pyhd8ed1ab_0
- pysocks=1.7.1=pyha55dd90_7
- python=3.11.13=h1683364_0_cpython
- python-dateutil=2.9.0.post0=pyhe01879c_2
- python-tzdata=2025.2=pyhd8ed1ab_0
- python_abi=3.11=8_cp311
- pytz=2025.2=pyhd8ed1ab_0
- qhull=2020.2=h70be974_5
- rdkit=2025.03.5=py311hffe688f_0
- readline=8.2=h8382b9d_2
- reportlab=4.4.1=py311ha879c10_0
- requests=2.32.4=pyhd8ed1ab_0
- rich=14.1.0=pyhe01879c_0
- rlpycairo=0.2.0=pyhd8ed1ab_0
- scipy=1.16.0=py311h1617075_0
- setuptools=80.9.0=pyhff2d567_0
- six=1.17.0=pyhe01879c_1
- sqlalchemy=2.0.42=py311hb9158a3_0
- stack_data=0.6.3=pyhd8ed1ab_1
- tk=8.6.13=noxft_h5688188_102
- traitlets=5.14.3=pyhd8ed1ab_1
- typing-extensions=4.14.1=h4440ef1_0
- typing_extensions=4.14.1=pyhe01879c_0
- tzdata=2025b=h78e105d_0
- unicodedata2=16.0.0=py311ha879c10_0
- urllib3=2.5.0=pyhd8ed1ab_0
- vina=1.2.6=py311h2cb90db_1
- wcwidth=0.2.13=pyhd8ed1ab_1
- wheel=0.45.1=pyhd8ed1ab_1
- xorg-libice=1.1.2=h86ecc28_0
- xorg-libsm=1.2.6=h0808dbd_0
- xorg-libx11=1.8.12=hca56bd8_0
- xorg-libxau=1.0.12=h86ecc28_0
- xorg-libxdmcp=1.1.5=h57736b2_0
- xorg-libxext=1.3.6=h57736b2_0
- xorg-libxrender=0.9.12=h86ecc28_0
- zlib-ng=2.2.4=hf428078_0
- zstandard=0.23.0=py311ha879c10_2
- zstd=1.5.7=hbcf94c1_2
prefix: "/share/home/lyzeng24/arm64_micromamba_envs/envs/vina"