# packages in environment at /home/rufad/miniconda3/envs/openmm-dev: # # Name Version Build Channel _libgcc_mutex 0.1 conda_forge conda-forge _openmp_mutex 4.5 1_gnu conda-forge astunparse 1.6.3 pyhd8ed1ab_0 conda-forge attrs 21.4.0 pyhd8ed1ab_0 conda-forge binutils_impl_linux-64 2.36.1 h193b22a_2 conda-forge binutils_linux-64 2.36 hf3e587d_6 conda-forge blas 1.0 mkl blosc 1.21.0 h9c3ff4c_0 conda-forge brotlipy 0.7.0 py39h3811e60_1003 conda-forge bzip2 1.0.8 h7f98852_4 conda-forge c-ares 1.18.1 h7f98852_0 conda-forge ca-certificates 2021.10.8 ha878542_0 conda-forge cached-property 1.5.2 hd8ed1ab_1 conda-forge cached_property 1.5.2 pyha770c72_1 conda-forge certifi 2021.10.8 py39hf3d152e_1 conda-forge cffi 1.15.0 py39h4bc2ebd_0 conda-forge cftime 1.5.2 py39hce5d2b2_0 conda-forge charset-normalizer 2.0.12 pyhd8ed1ab_0 conda-forge cmake 3.22.2 h1021d11_0 conda-forge cryptography 36.0.0 py39h9ce1e76_0 cudatoolkit 11.3.1 ha36c431_10 conda-forge cudnn 8.2.1.32 h86fa8c9_0 conda-forge curl 7.81.0 h494985f_0 conda-forge cython 0.29.28 py39he80948d_0 conda-forge doxygen 1.9.2 hb166930_0 conda-forge execnet 1.9.0 pyhd8ed1ab_0 conda-forge expat 2.4.6 h27087fc_0 conda-forge fftw 3.3.10 nompi_h77c792f_102 conda-forge future 0.18.2 py39hf3d152e_4 conda-forge gcc_impl_linux-64 11.2.0 h82a94d6_12 conda-forge gcc_linux-64 11.2.0 h39a9532_6 conda-forge gfortran_impl_linux-64 11.2.0 h7a446d4_12 conda-forge gfortran_linux-64 11.2.0 h777b47f_6 conda-forge gxx_impl_linux-64 11.2.0 h82a94d6_12 conda-forge gxx_linux-64 11.2.0 hacbe6df_6 conda-forge h5py 3.6.0 nompi_py39h7e08c79_100 conda-forge hdf4 4.2.15 h10796ff_3 conda-forge hdf5 1.12.1 nompi_h7f166f4_103 conda-forge icu 69.1 h9c3ff4c_0 conda-forge idna 3.3 pyhd8ed1ab_0 conda-forge importlib-metadata 4.11.2 py39hf3d152e_0 conda-forge importlib_metadata 4.11.2 hd8ed1ab_0 conda-forge iniconfig 1.1.1 pyh9f0ad1d_0 conda-forge intel-openmp 2021.4.0 h06a4308_3561 jpeg 9e h7f98852_0 conda-forge kernel-headers_linux-64 2.6.32 he073ed8_15 conda-forge krb5 1.19.2 h48eae69_3 conda-forge lark-parser 0.12.0 pyhd8ed1ab_0 conda-forge ld_impl_linux-64 2.36.1 hea4e1c9_2 conda-forge libblas 3.9.0 12_linux64_mkl conda-forge libcblas 3.9.0 12_linux64_mkl conda-forge libclang-cpp12 12.0.1 default_ha53f305_4 conda-forge libcurl 7.81.0 h494985f_0 conda-forge libedit 3.1.20191231 he28a2e2_2 conda-forge libev 4.33 h516909a_1 conda-forge libffi 3.4.2 h7f98852_5 conda-forge libgcc-devel_linux-64 11.2.0 h0952999_12 conda-forge libgcc-ng 11.2.0 h1d223b6_12 conda-forge libgfortran-ng 11.2.0 h69a702a_12 conda-forge libgfortran5 11.2.0 h5c6108e_12 conda-forge libgomp 11.2.0 h1d223b6_12 conda-forge libhwloc 2.7.0 h6746aa3_0 conda-forge libiconv 1.16 h516909a_0 conda-forge liblapack 3.9.0 12_linux64_mkl conda-forge libllvm10 10.0.1 he513fc3_3 conda-forge libllvm12 12.0.1 hf817b99_2 conda-forge libnetcdf 4.8.1 nompi_hb3fd0d9_101 conda-forge libnghttp2 1.47.0 he49606f_0 conda-forge libnsl 2.0.0 h7f98852_0 conda-forge libopenblas 0.3.18 pthreads_h8fe5266_0 conda-forge libprotobuf 3.19.4 h780b84a_0 conda-forge libsanitizer 11.2.0 he4da1e4_12 conda-forge libssh2 1.10.0 ha35d2d1_2 conda-forge libstdcxx-devel_linux-64 11.2.0 h0952999_12 conda-forge libstdcxx-ng 11.2.0 he4da1e4_12 conda-forge libuuid 2.32.1 h7f98852_1000 conda-forge libuv 1.43.0 h7f98852_0 conda-forge libxml2 2.9.12 h885dcf4_1 conda-forge libxslt 1.1.33 h0ef7038_3 conda-forge libzip 1.8.0 h1c5bbd1_1 conda-forge libzlib 1.2.11 h36c2ea0_1013 conda-forge llvmlite 0.36.0 py39h1bbdace_0 conda-forge lxml 4.8.0 py39h107f48f_0 conda-forge lz4-c 1.9.3 h9c3ff4c_1 conda-forge lzo 2.10 h516909a_1000 conda-forge magma 2.5.4 h6103c52_2 conda-forge make 4.3 hd18ef5c_1 conda-forge mdtraj 1.9.7 py39h138c130_1 conda-forge mkl 2021.4.0 h06a4308_640 mkl-service 2.4.0 py39h7e14d7c_0 conda-forge mpiplus v0.0.1 py39hde42818_1002 conda-forge nccl 2.11.4.1 h5c60f85_2 conda-forge ncurses 6.3 h9c3ff4c_0 conda-forge netcdf4 1.5.8 nompi_py39h64b754b_101 conda-forge ninja 1.10.2 h4bd325d_1 conda-forge nnpops 0.2 cuda112py39hc560949_0 conda-forge nose 1.3.7 py_1006 conda-forge numba 0.53.1 py39h56b8d98_1 conda-forge numexpr 2.8.1 py39h6abb31d_0 numpy 1.22.2 py39h91f2184_0 conda-forge ocl-icd 2.3.1 h7f98852_0 conda-forge ocl-icd-system 1.0.0 1 conda-forge openmm 7.8 py39_cuda102_1 omnia-dev openmm-torch 0.6 cuda112py39ha4cbb7b_0 conda-forge openmmml 1.0 pypi_0 pypi openmmtools 0.21.1 pyhd8ed1ab_0 conda-forge openssl 3.0.0 h7f98852_2 conda-forge packaging 21.3 pyhd8ed1ab_0 conda-forge pandas 1.4.1 py39hde0f152_0 conda-forge pcre 8.45 h9c3ff4c_0 conda-forge pdbfixer 1.8.1 pyh6c4a22f_0 conda-forge pip 22.0.3 pyhd8ed1ab_0 conda-forge pluggy 1.0.0 py39hf3d152e_2 conda-forge pocl 1.8 h11147fc_2 conda-forge pthread-stubs 0.4 h36c2ea0_1001 conda-forge py 1.11.0 pyh6c4a22f_0 conda-forge pycparser 2.21 pyhd8ed1ab_0 conda-forge pymbar 3.0.6 py39hce5d2b2_0 conda-forge pyopenssl 22.0.0 pyhd8ed1ab_0 conda-forge pyparsing 3.0.7 pyhd8ed1ab_0 conda-forge pysocks 1.7.1 py39hf3d152e_4 conda-forge pytables 3.7.0 py39h2669a42_0 conda-forge pytest 7.0.1 py39hf3d152e_0 conda-forge pytest-forked 1.4.0 pyhd8ed1ab_0 conda-forge pytest-xdist 2.5.0 pyhd8ed1ab_0 conda-forge python 3.9.10 hc74c709_2_cpython conda-forge python-dateutil 2.8.2 pyhd8ed1ab_0 conda-forge python_abi 3.9 2_cp39 conda-forge pytorch 1.10.0 cuda112py39h3ad47f5_1 conda-forge pytorch-gpu 1.10.0 cuda112py39h0bbbad9_1 conda-forge pytz 2021.3 pyhd8ed1ab_0 conda-forge pyyaml 6.0 py39h3811e60_3 conda-forge readline 8.1 h46c0cb4_0 conda-forge requests 2.27.1 pyhd8ed1ab_0 conda-forge rhash 1.4.1 h7f98852_0 conda-forge scipy 1.8.0 py39hee8e79c_1 conda-forge setuptools 60.9.3 py39hf3d152e_0 conda-forge six 1.16.0 pyh6c4a22f_0 conda-forge sleef 3.5.1 h9b69904_2 conda-forge snappy 1.1.8 he1b5a44_3 conda-forge sqlite 3.37.0 h9cd32fc_0 conda-forge swig 4.0.2 hd3c618e_2 conda-forge sysroot_linux-64 2.12 he073ed8_15 conda-forge tk 8.6.12 h27826a3_0 conda-forge tomli 2.0.1 pyhd8ed1ab_0 conda-forge torchani 2.2.2 py39cuda112hf93b382_0_cuda conda-forge typing_extensions 4.1.1 pyha770c72_0 conda-forge tzdata 2021e he74cb21_0 conda-forge urllib3 1.26.8 pyhd8ed1ab_1 conda-forge wheel 0.37.1 pyhd8ed1ab_0 conda-forge xz 5.2.5 h516909a_1 conda-forge yaml 0.2.5 h7f98852_2 conda-forge zipp 3.7.0 pyhd8ed1ab_1 conda-forge zlib 1.2.11 h36c2ea0_1013 conda-forge zstd 1.5.2 ha95c52a_0 conda-forge