|
| 1 | +name: deepmd |
| 2 | +channels: |
| 3 | + - https://conda.deepmodeling.org |
| 4 | + - bioconda |
| 5 | + - defaults |
| 6 | + - https://repo.anaconda.com/pkgs/main |
| 7 | + - https://repo.anaconda.com/pkgs/free |
| 8 | + - conda-forge |
| 9 | +dependencies: |
| 10 | + - _libgcc_mutex=0.1=main |
| 11 | + - _openmp_mutex=5.1=1_gnu |
| 12 | + - absl-py=1.3.0=py39h06a4308_0 |
| 13 | + - aiohttp=3.8.1=py39h7f8727e_1 |
| 14 | + - aiosignal=1.2.0=pyhd3eb1b0_0 |
| 15 | + - anyio=3.5.0=py39h06a4308_0 |
| 16 | + - argon2-cffi=21.3.0=pyhd3eb1b0_0 |
| 17 | + - argon2-cffi-bindings=21.2.0=py39h7f8727e_0 |
| 18 | + - ase=3.22.1=pyhd8ed1ab_1 |
| 19 | + - astor=0.8.1=py39h06a4308_0 |
| 20 | + - asttokens=2.0.5=pyhd3eb1b0_0 |
| 21 | + - astunparse=1.6.3=py_0 |
| 22 | + - async-timeout=4.0.2=py39h06a4308_0 |
| 23 | + - attrs=22.1.0=py39h06a4308_0 |
| 24 | + - babel=2.9.1=pyhd3eb1b0_0 |
| 25 | + - backcall=0.2.0=pyhd3eb1b0_0 |
| 26 | + - backrefs=5.0.1=pyhd8ed1ab_0 |
| 27 | + - beautifulsoup4=4.11.1=py39h06a4308_0 |
| 28 | + - blas=1.0=mkl |
| 29 | + - bleach=4.1.0=pyhd3eb1b0_0 |
| 30 | + - blinker=1.4=py39h06a4308_0 |
| 31 | + - bottleneck=1.3.5=py39h7deecbd_0 |
| 32 | + - bracex=2.1.1=pyhd8ed1ab_0 |
| 33 | + - brotli=1.0.9=h5eee18b_7 |
| 34 | + - brotli-bin=1.0.9=h5eee18b_7 |
| 35 | + - brotlipy=0.7.0=py39h27cfd23_1003 |
| 36 | + - c-ares=1.18.1=h7f8727e_0 |
| 37 | + - ca-certificates=2022.10.11=h06a4308_0 |
| 38 | + - cachetools=4.2.2=pyhd3eb1b0_0 |
| 39 | + - certifi=2022.9.24=py39h06a4308_0 |
| 40 | + - cffi=1.15.1=py39h5eee18b_2 |
| 41 | + - charset-normalizer=2.0.4=pyhd3eb1b0_0 |
| 42 | + - click=8.0.4=py39h06a4308_0 |
| 43 | + - cloudpickle=2.0.0=pyhd3eb1b0_0 |
| 44 | + - cryptography=38.0.1=py39h9ce1e76_0 |
| 45 | + - cudatoolkit=11.3.1=h2bc3f7f_2 |
| 46 | + - cudnn=8.2.1=cuda11.3_0 |
| 47 | + - cupti=11.3.1=0 |
| 48 | + - cycler=0.11.0=pyhd3eb1b0_0 |
| 49 | + - dargs=0.2.6=pyh7a5ff2f_0 |
| 50 | + - dataclasses=0.8=pyh6d0b6a4_7 |
| 51 | + - dbus=1.13.18=hb2f20db_0 |
| 52 | + - debugpy=1.5.1=py39h295c915_0 |
| 53 | + - decorator=5.1.1=pyhd3eb1b0_0 |
| 54 | + - deepmd-kit=2.0.3=py39_0_cuda11.3_gpu |
| 55 | + - defusedxml=0.7.1=pyhd3eb1b0_0 |
| 56 | + - dpdata=0.2.12=pyhd8ed1ab_0 |
| 57 | + - entrypoints=0.4=py39h06a4308_0 |
| 58 | + - executing=0.8.3=pyhd3eb1b0_0 |
| 59 | + - expat=2.4.9=h6a678d5_0 |
| 60 | + - fftw=3.3.9=h27cfd23_1 |
| 61 | + - flask=2.1.3=py39h06a4308_0 |
| 62 | + - fontconfig=2.13.1=hef1e5e3_1 |
| 63 | + - fonttools=4.25.0=pyhd3eb1b0_0 |
| 64 | + - freetype=2.12.1=h4a9f257_0 |
| 65 | + - frozenlist=1.2.0=py39h7f8727e_0 |
| 66 | + - gast=0.4.0=pyhd3eb1b0_0 |
| 67 | + - giflib=5.2.1=h7b6447c_0 |
| 68 | + - glib=2.69.1=he621ea3_2 |
| 69 | + - google-auth=2.6.0=pyhd3eb1b0_0 |
| 70 | + - google-auth-oauthlib=0.4.1=py_2 |
| 71 | + - google-pasta=0.2.0=pyhd3eb1b0_0 |
| 72 | + - grpcio=1.42.0=py39hce63b2e_0 |
| 73 | + - gsl=2.4=h14c3975_4 |
| 74 | + - gst-plugins-base=1.14.0=h8213a91_2 |
| 75 | + - gstreamer=1.14.0=h28cd5cc_2 |
| 76 | + - h5py=3.7.0=py39h737f45e_0 |
| 77 | + - hdf5=1.10.6=hb1b8bf9_0 |
| 78 | + - horovod=0.22.1=py39he86f49e_1 |
| 79 | + - icu=58.2=he6710b0_3 |
| 80 | + - idna=3.4=py39h06a4308_0 |
| 81 | + - importlib-metadata=4.11.3=py39h06a4308_0 |
| 82 | + - intel-openmp=2021.4.0=h06a4308_3561 |
| 83 | + - ipykernel=6.15.2=py39h06a4308_0 |
| 84 | + - ipython=8.6.0=py39h06a4308_0 |
| 85 | + - ipython_genutils=0.2.0=pyhd3eb1b0_1 |
| 86 | + - ipywidgets=7.6.5=pyhd3eb1b0_1 |
| 87 | + - itsdangerous=2.0.1=pyhd3eb1b0_0 |
| 88 | + - jedi=0.18.1=py39h06a4308_1 |
| 89 | + - jinja2=3.1.2=py39h06a4308_0 |
| 90 | + - jpeg=9e=h7f8727e_0 |
| 91 | + - json5=0.9.6=pyhd3eb1b0_0 |
| 92 | + - jsonschema=4.16.0=py39h06a4308_0 |
| 93 | + - jupyter=1.0.0=py39h06a4308_8 |
| 94 | + - jupyter_client=7.4.7=py39h06a4308_0 |
| 95 | + - jupyter_console=6.4.3=pyhd3eb1b0_0 |
| 96 | + - jupyter_core=4.11.2=py39h06a4308_0 |
| 97 | + - jupyter_server=1.18.1=py39h06a4308_0 |
| 98 | + - jupyterlab=3.5.0=py39h06a4308_0 |
| 99 | + - jupyterlab_pygments=0.1.2=py_0 |
| 100 | + - jupyterlab_server=2.16.3=py39h06a4308_0 |
| 101 | + - jupyterlab_widgets=1.0.0=pyhd3eb1b0_1 |
| 102 | + - keras-preprocessing=1.1.2=pyhd3eb1b0_0 |
| 103 | + - kiwisolver=1.4.2=py39h295c915_0 |
| 104 | + - krb5=1.19.2=hac12032_0 |
| 105 | + - lammps-dp=2.0.2=h9954876_6 |
| 106 | + - lcms2=2.12=h3be6417_0 |
| 107 | + - ld_impl_linux-64=2.38=h1181459_1 |
| 108 | + - lerc=3.0=h295c915_0 |
| 109 | + - libbrotlicommon=1.0.9=h5eee18b_7 |
| 110 | + - libbrotlidec=1.0.9=h5eee18b_7 |
| 111 | + - libbrotlienc=1.0.9=h5eee18b_7 |
| 112 | + - libclang=10.0.1=default_hb85057a_2 |
| 113 | + - libdeepmd=2.0.3=0_cuda11.3_gpu |
| 114 | + - libdeflate=1.8=h7f8727e_5 |
| 115 | + - libedit=3.1.20210910=h7f8727e_0 |
| 116 | + - libevent=2.1.12=h8f2d780_0 |
| 117 | + - libffi=3.4.2=h6a678d5_6 |
| 118 | + - libgcc-ng=11.2.0=h1234567_1 |
| 119 | + - libgfortran-ng=7.5.0=ha8ba4b0_17 |
| 120 | + - libgfortran4=7.5.0=ha8ba4b0_17 |
| 121 | + - libgomp=11.2.0=h1234567_1 |
| 122 | + - libllvm10=10.0.1=hbcb73fb_5 |
| 123 | + - libopenblas=0.3.18=hf726d26_0 |
| 124 | + - libpng=1.6.37=hbc83047_0 |
| 125 | + - libpq=12.9=h16c4e8d_3 |
| 126 | + - libprotobuf=3.20.1=h4ff587b_0 |
| 127 | + - libsodium=1.0.18=h7b6447c_0 |
| 128 | + - libstdcxx-ng=11.2.0=h1234567_1 |
| 129 | + - libtensorflow_cc=2.5.0=gpu_cuda11.3_0 |
| 130 | + - libtiff=4.4.0=hecacb30_2 |
| 131 | + - libuuid=1.41.5=h5eee18b_0 |
| 132 | + - libwebp=1.2.4=h11a3e52_0 |
| 133 | + - libwebp-base=1.2.4=h5eee18b_0 |
| 134 | + - libxcb=1.15=h7f8727e_0 |
| 135 | + - libxkbcommon=1.0.1=hfa300c1_0 |
| 136 | + - libxml2=2.9.14=h74e7548_0 |
| 137 | + - libxslt=1.1.35=h4e12654_0 |
| 138 | + - lxml=4.9.1=py39h1edc446_0 |
| 139 | + - lz4-c=1.9.3=h295c915_1 |
| 140 | + - markdown=3.3.4=py39h06a4308_0 |
| 141 | + - markupsafe=2.1.1=py39h7f8727e_0 |
| 142 | + - matplotlib=3.5.1=py39h06a4308_1 |
| 143 | + - matplotlib-base=3.5.1=py39ha18d171_1 |
| 144 | + - matplotlib-inline=0.1.6=py39h06a4308_0 |
| 145 | + - mistune=0.8.4=py39h27cfd23_1000 |
| 146 | + - mkl=2021.4.0=h06a4308_640 |
| 147 | + - mkl-service=2.4.0=py39h7f8727e_0 |
| 148 | + - mkl_fft=1.3.1=py39hd3c417c_0 |
| 149 | + - mkl_random=1.2.2=py39h51133e4_0 |
| 150 | + - monty=2022.9.9=pyhd8ed1ab_0 |
| 151 | + - mpi=1.0=mpich |
| 152 | + - mpi4py=3.1.1=py39h0a00275_0 |
| 153 | + - mpich=3.3.2=hc856adb_0 |
| 154 | + - multidict=6.0.2=py39h5eee18b_0 |
| 155 | + - munkres=1.0.7=py_1 |
| 156 | + - nbclassic=0.4.8=py39h06a4308_0 |
| 157 | + - nbclient=0.5.13=py39h06a4308_0 |
| 158 | + - nbconvert=6.5.4=py39h06a4308_0 |
| 159 | + - nbformat=5.5.0=py39h06a4308_0 |
| 160 | + - ncurses=6.3=h5eee18b_3 |
| 161 | + - nest-asyncio=1.5.5=py39h06a4308_0 |
| 162 | + - notebook=6.5.2=py39h06a4308_0 |
| 163 | + - notebook-shim=0.2.2=py39h06a4308_0 |
| 164 | + - nspr=4.33=h295c915_0 |
| 165 | + - nss=3.74=h0370c37_0 |
| 166 | + - numexpr=2.8.4=py39he184ba9_0 |
| 167 | + - numpy=1.21.5=py39h6c91a56_3 |
| 168 | + - numpy-base=1.21.5=py39ha15fc14_3 |
| 169 | + - oauthlib=3.2.1=py39h06a4308_0 |
| 170 | + - openssl=1.1.1s=h7f8727e_0 |
| 171 | + - opt_einsum=3.3.0=pyhd3eb1b0_1 |
| 172 | + - packaging=21.3=pyhd3eb1b0_0 |
| 173 | + - pandas=1.4.2=py39h295c915_0 |
| 174 | + - pandocfilters=1.5.0=pyhd3eb1b0_0 |
| 175 | + - parso=0.8.3=pyhd3eb1b0_0 |
| 176 | + - pcre=8.45=h295c915_0 |
| 177 | + - pexpect=4.8.0=pyhd3eb1b0_3 |
| 178 | + - pickleshare=0.7.5=pyhd3eb1b0_1003 |
| 179 | + - pillow=9.2.0=py39hace64e9_1 |
| 180 | + - pip=22.2.2=py39h06a4308_0 |
| 181 | + - plotly=5.9.0=py39h06a4308_0 |
| 182 | + - plumed=2.7.0=h15b89f4_0 |
| 183 | + - ply=3.11=py39h06a4308_0 |
| 184 | + - prometheus_client=0.14.1=py39h06a4308_0 |
| 185 | + - prompt-toolkit=3.0.20=pyhd3eb1b0_0 |
| 186 | + - prompt_toolkit=3.0.20=hd3eb1b0_0 |
| 187 | + - protobuf=3.20.1=py39h295c915_0 |
| 188 | + - psutil=5.9.0=py39h5eee18b_0 |
| 189 | + - ptyprocess=0.7.0=pyhd3eb1b0_2 |
| 190 | + - pure_eval=0.2.2=pyhd3eb1b0_0 |
| 191 | + - pyasn1=0.4.8=pyhd3eb1b0_0 |
| 192 | + - pyasn1-modules=0.2.8=py_0 |
| 193 | + - pycparser=2.21=pyhd3eb1b0_0 |
| 194 | + - pygments=2.11.2=pyhd3eb1b0_0 |
| 195 | + - pyjwt=2.4.0=py39h06a4308_0 |
| 196 | + - pylammps-dp=2.0.2=pyh6e9818e_6 |
| 197 | + - pyopenssl=22.0.0=pyhd3eb1b0_0 |
| 198 | + - pyparsing=3.0.9=py39h06a4308_0 |
| 199 | + - pyqt=5.15.7=py39h6a678d5_1 |
| 200 | + - pyqt5-sip=12.11.0=py39h6a678d5_1 |
| 201 | + - pyrsistent=0.18.0=py39heee7806_0 |
| 202 | + - pysocks=1.7.1=py39h06a4308_0 |
| 203 | + - python=3.9.15=h7a1cb2a_2 |
| 204 | + - python-dateutil=2.8.2=pyhd3eb1b0_0 |
| 205 | + - python-fastjsonschema=2.16.2=py39h06a4308_0 |
| 206 | + - python-flatbuffers=1.12=pyhd3eb1b0_0 |
| 207 | + - python-hostlist=1.21=pyh9f0ad1d_0 |
| 208 | + - pytz=2022.1=py39h06a4308_0 |
| 209 | + - pyyaml=6.0=py39h7f8727e_1 |
| 210 | + - pyzmq=23.2.0=py39h6a678d5_0 |
| 211 | + - qt-main=5.15.2=h327a75a_7 |
| 212 | + - qt-webengine=5.15.9=hd2b0992_4 |
| 213 | + - qtconsole=5.3.2=py39h06a4308_0 |
| 214 | + - qtpy=2.2.0=py39h06a4308_0 |
| 215 | + - qtwebkit=5.212=h4eab89a_4 |
| 216 | + - readline=8.2=h5eee18b_0 |
| 217 | + - requests=2.28.1=py39h06a4308_0 |
| 218 | + - requests-oauthlib=1.3.0=py_0 |
| 219 | + - rsa=4.7.2=pyhd3eb1b0_1 |
| 220 | + - scipy=1.7.3=py39hc147768_0 |
| 221 | + - send2trash=1.8.0=pyhd3eb1b0_1 |
| 222 | + - setuptools=65.5.0=py39h06a4308_0 |
| 223 | + - sip=6.6.2=py39h6a678d5_0 |
| 224 | + - six=1.16.0=pyhd3eb1b0_1 |
| 225 | + - sniffio=1.2.0=py39h06a4308_1 |
| 226 | + - soupsieve=2.3.2.post1=py39h06a4308_0 |
| 227 | + - sqlite=3.40.0=h5082296_0 |
| 228 | + - stack_data=0.2.0=pyhd3eb1b0_0 |
| 229 | + - tenacity=8.0.1=py39h06a4308_1 |
| 230 | + - tensorboard=2.5.0=py_0 |
| 231 | + - tensorboard-plugin-wit=1.8.1=py39h06a4308_0 |
| 232 | + - tensorflow-base=2.5.0=gpu_py39h7c1560b_0 |
| 233 | + - tensorflow-estimator=2.5.0=pyh7b7c402_0 |
| 234 | + - termcolor=2.1.0=py39h06a4308_0 |
| 235 | + - terminado=0.13.1=py39h06a4308_0 |
| 236 | + - tinycss2=1.2.1=py39h06a4308_0 |
| 237 | + - tk=8.6.12=h1ccaba5_0 |
| 238 | + - toml=0.10.2=pyhd3eb1b0_0 |
| 239 | + - tomli=2.0.1=py39h06a4308_0 |
| 240 | + - tornado=6.2=py39h5eee18b_0 |
| 241 | + - traitlets=5.1.1=pyhd3eb1b0_0 |
| 242 | + - typing-extensions=4.3.0=py39h06a4308_0 |
| 243 | + - typing_extensions=4.3.0=py39h06a4308_0 |
| 244 | + - tzdata=2022f=h04d1e81_0 |
| 245 | + - urllib3=1.26.12=py39h06a4308_0 |
| 246 | + - wcmatch=8.2=pyhd8ed1ab_0 |
| 247 | + - wcwidth=0.2.5=pyhd3eb1b0_0 |
| 248 | + - webencodings=0.5.1=py39h06a4308_1 |
| 249 | + - websocket-client=0.58.0=py39h06a4308_4 |
| 250 | + - werkzeug=2.0.3=pyhd3eb1b0_0 |
| 251 | + - wheel=0.35.1=pyhd3eb1b0_0 |
| 252 | + - widgetsnbextension=3.5.2=py39h06a4308_0 |
| 253 | + - wrapt=1.14.1=py39h5eee18b_0 |
| 254 | + - xz=5.2.6=h5eee18b_0 |
| 255 | + - yaml=0.2.5=h7b6447c_0 |
| 256 | + - yarl=1.8.1=py39h5eee18b_0 |
| 257 | + - zeromq=4.3.4=h2531618_0 |
| 258 | + - zipp=3.8.0=py39h06a4308_0 |
| 259 | + - zlib=1.2.13=h5eee18b_0 |
| 260 | + - zstd=1.5.2=ha4553b6_0 |
| 261 | +prefix: /home/kimia.gh/.conda/envs/deepmd |
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