> ./run_cmake -- ************************************************************************** -- Starting configuration of Amber version 20.0.0... -- CMake Version: 3.26.5 -- For how to use this build system, please read this wiki: -- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake -- For a list of important CMake variables, check here: -- http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options -- ************************************************************************** -- Setting C compiler to gcc -- Setting CXX compiler to g++ -- Setting Fortran compiler to gfortran -- Amber source found, building AmberTools and Amber -- The C compiler identification is GNU 8.5.0 -- The CXX compiler identification is GNU 8.5.0 -- The Fortran compiler identification is GNU 8.5.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Detecting Fortran compiler ABI info -- Detecting Fortran compiler ABI info - done -- Check for working Fortran compiler: /usr/bin/gfortran - skipped -- Testing if stdlib.h can be included... -- Testing if stdlib.h can be included... yes -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Found CUDA: /usr/local/cuda (found version "12.3") -- Downloading Python 3 Miniconda -- Detected Linux OS. Downloading the Linux installer -- Using 64 bit miniconda Downloading http://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -> /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/download/Miniconda3-latest-Linux-x86_64.sh ##################################################################################################################### 100.0% Installing Miniconda Python. PREFIX=/home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install Unpacking payload ... Installing base environment... Downloading and Extracting Packages: ...working... done Downloading and Extracting Packages: ...working... done Preparing transaction: ...working... done Executing transaction: ...working... done installation finished. -- Updating and installing required and optional packages... Channels: - defaults Platform: linux-64 Collecting package metadata (repodata.json): ...working... done Solving environment: ...working... done ## Package Plan ## environment location: /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install added / updated specs: - conda The following packages will be downloaded: package | build ---------------------------|----------------- conda-24.1.0 | py311h06a4308_0 1.2 MB ------------------------------------------------------------ Total: 1.2 MB The following packages will be UPDATED: conda 23.11.0-py311h06a4308_0 --> 24.1.0-py311h06a4308_0 Downloading and Extracting Packages: ...working... done Preparing transaction: ...working... done Verifying transaction: ...working... done Executing transaction: ...working... done Requirement already satisfied: pip in /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.11/site-packages (23.3.1) Collecting pip Using cached pip-23.3.2-py3-none-any.whl.metadata (3.5 kB) Using cached pip-23.3.2-py3-none-any.whl (2.1 MB) Installing collected packages: pip Attempting uninstall: pip Found existing installation: pip 23.3.1 Uninstalling pip-23.3.1: Successfully uninstalled pip-23.3.1 Successfully installed pip-23.3.2 Channels: - defaults Platform: linux-64 Collecting package metadata (repodata.json): ...working... done Solving environment: ...working... done ## Package Plan ## environment location: /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install added / updated specs: - nomkl The following packages will be downloaded: package | build ---------------------------|----------------- blas-1.0 | openblas 46 KB nomkl-3.0 | 0 46 KB ------------------------------------------------------------ Total: 91 KB The following NEW packages will be INSTALLED: blas pkgs/main/linux-64::blas-1.0-openblas nomkl pkgs/main/linux-64::nomkl-3.0-0 Downloading and Extracting Packages: ...working... done Preparing transaction: ...working... done Verifying transaction: ...working... done Executing transaction: ...working... done Channels: - defaults Platform: linux-64 Collecting package metadata (repodata.json): ...working... done Solving environment: ...working... done ## Package Plan ## environment location: /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install added / updated specs: - conda-build - cython=0.29 - ipython - notebook - numpy - pytest - scipy The following packages will be downloaded: package | build ---------------------------|----------------- anyio-4.2.0 | py311h06a4308_0 237 KB argon2-cffi-21.3.0 | pyhd3eb1b0_0 15 KB argon2-cffi-bindings-21.2.0| py311h5eee18b_0 33 KB asttokens-2.0.5 | pyhd3eb1b0_0 20 KB async-lru-2.0.4 | py311h06a4308_0 20 KB attrs-23.1.0 | py311h06a4308_0 161 KB babel-2.11.0 | py311h06a4308_0 6.1 MB beautifulsoup4-4.12.2 | py311h06a4308_0 268 KB bleach-4.1.0 | pyhd3eb1b0_0 123 KB chardet-4.0.0 |py311h06a4308_1003 218 KB click-8.1.7 | py311h06a4308_0 221 KB comm-0.1.2 | py311h06a4308_0 14 KB conda-build-24.1.0 | py311h06a4308_0 825 KB conda-index-0.4.0 | pyhd3eb1b0_0 173 KB cython-0.29.36 | py311h5eee18b_0 2.6 MB debugpy-1.6.7 | py311h6a678d5_0 2.4 MB decorator-5.1.1 | pyhd3eb1b0_0 12 KB defusedxml-0.7.1 | pyhd3eb1b0_0 23 KB executing-0.8.3 | pyhd3eb1b0_0 18 KB filelock-3.13.1 | py311h06a4308_0 24 KB iniconfig-1.1.1 | pyhd3eb1b0_0 8 KB ipykernel-6.28.0 | py311h06a4308_0 245 KB ipython-8.20.0 | py311h06a4308_0 1.4 MB jedi-0.18.1 | py311h06a4308_1 1.1 MB jinja2-3.1.3 | py311h06a4308_0 353 KB json5-0.9.6 | pyhd3eb1b0_0 21 KB jsonschema-4.19.2 | py311h06a4308_0 190 KB jsonschema-specifications-2023.7.1| py311h06a4308_0 15 KB jupyter-lsp-2.2.0 | py311h06a4308_0 107 KB jupyter_client-8.6.0 | py311h06a4308_0 233 KB jupyter_core-5.5.0 | py311h06a4308_0 91 KB jupyter_events-0.8.0 | py311h06a4308_0 41 KB jupyter_server-2.10.0 | py311h06a4308_0 577 KB jupyter_server_terminals-0.4.4| py311h06a4308_1 27 KB jupyterlab-4.0.11 | py311h06a4308_0 4.5 MB jupyterlab_pygments-0.1.2 | py_0 8 KB jupyterlab_server-2.25.1 | py311h06a4308_0 113 KB libgfortran-ng-11.2.0 | h00389a5_1 20 KB libgfortran5-11.2.0 | h1234567_1 2.0 MB liblief-0.12.3 | h6a678d5_0 1.9 MB libopenblas-0.3.21 | h043d6bf_0 5.4 MB libsodium-1.0.18 | h7b6447c_0 244 KB markupsafe-2.1.3 | py311h5eee18b_0 25 KB matplotlib-inline-0.1.6 | py311h06a4308_0 18 KB mistune-2.0.4 | py311h06a4308_0 107 KB more-itertools-10.1.0 | py311h06a4308_0 103 KB nbclient-0.8.0 | py311h06a4308_0 120 KB nbconvert-7.10.0 | py311h06a4308_0 513 KB nbformat-5.9.2 | py311h06a4308_0 158 KB nest-asyncio-1.5.6 | py311h06a4308_0 17 KB notebook-7.0.6 | py311h06a4308_0 3.1 MB notebook-shim-0.2.3 | py311h06a4308_0 26 KB numpy-1.26.3 | py311h24aa872_0 10 KB numpy-base-1.26.3 | py311hbfb1bba_0 8.3 MB overrides-7.4.0 | py311h06a4308_0 36 KB pandocfilters-1.5.0 | pyhd3eb1b0_0 11 KB parso-0.8.3 | pyhd3eb1b0_0 70 KB patch-2.7.6 | h7b6447c_1001 119 KB patchelf-0.17.2 | h6a678d5_0 98 KB pexpect-4.8.0 | pyhd3eb1b0_3 53 KB pkginfo-1.9.6 | py311h06a4308_0 65 KB prometheus_client-0.14.1 | py311h06a4308_0 120 KB prompt-toolkit-3.0.43 | py311h06a4308_0 745 KB prompt_toolkit-3.0.43 | hd3eb1b0_0 5 KB psutil-5.9.0 | py311h5eee18b_0 463 KB ptyprocess-0.7.0 | pyhd3eb1b0_2 17 KB pure_eval-0.2.2 | pyhd3eb1b0_0 14 KB py-lief-0.12.3 | py311h6a678d5_0 1.3 MB pygments-2.15.1 | py311h06a4308_1 2.1 MB pytest-7.4.0 | py311h06a4308_0 711 KB python-dateutil-2.8.2 | pyhd3eb1b0_0 233 KB python-fastjsonschema-2.16.2| py311h06a4308_0 247 KB python-json-logger-2.0.7 | py311h06a4308_0 18 KB python-libarchive-c-2.9 | pyhd3eb1b0_1 47 KB pytz-2023.3.post1 | py311h06a4308_0 216 KB pyyaml-6.0.1 | py311h5eee18b_0 210 KB pyzmq-25.1.2 | py311h6a678d5_0 540 KB referencing-0.30.2 | py311h06a4308_0 77 KB rfc3339-validator-0.1.4 | py311h06a4308_0 10 KB rfc3986-validator-0.1.1 | py311h06a4308_0 10 KB rpds-py-0.10.6 | py311hb02cf49_0 1007 KB scipy-1.11.4 | py311h24aa872_0 21.9 MB send2trash-1.8.2 | py311h06a4308_0 32 KB six-1.16.0 | pyhd3eb1b0_1 18 KB sniffio-1.3.0 | py311h06a4308_0 17 KB soupsieve-2.5 | py311h06a4308_0 92 KB stack_data-0.2.0 | pyhd3eb1b0_0 22 KB terminado-0.17.1 | py311h06a4308_0 37 KB tinycss2-1.2.1 | py311h06a4308_0 46 KB tornado-6.3.3 | py311h5eee18b_0 852 KB traitlets-5.7.1 | py311h06a4308_0 259 KB typing-extensions-4.9.0 | py311h06a4308_1 9 KB typing_extensions-4.9.0 | py311h06a4308_1 72 KB wcwidth-0.2.5 | pyhd3eb1b0_0 26 KB webencodings-0.5.1 | py311h06a4308_1 25 KB websocket-client-0.58.0 | py311h06a4308_4 87 KB yaml-0.2.5 | h7b6447c_0 75 KB zeromq-4.3.5 | h6a678d5_0 366 KB ------------------------------------------------------------ Total: 77.0 MB The following NEW packages will be INSTALLED: anyio pkgs/main/linux-64::anyio-4.2.0-py311h06a4308_0 argon2-cffi pkgs/main/noarch::argon2-cffi-21.3.0-pyhd3eb1b0_0 argon2-cffi-bindi~ pkgs/main/linux-64::argon2-cffi-bindings-21.2.0-py311h5eee18b_0 asttokens pkgs/main/noarch::asttokens-2.0.5-pyhd3eb1b0_0 async-lru pkgs/main/linux-64::async-lru-2.0.4-py311h06a4308_0 attrs pkgs/main/linux-64::attrs-23.1.0-py311h06a4308_0 babel pkgs/main/linux-64::babel-2.11.0-py311h06a4308_0 beautifulsoup4 pkgs/main/linux-64::beautifulsoup4-4.12.2-py311h06a4308_0 bleach pkgs/main/noarch::bleach-4.1.0-pyhd3eb1b0_0 chardet pkgs/main/linux-64::chardet-4.0.0-py311h06a4308_1003 click pkgs/main/linux-64::click-8.1.7-py311h06a4308_0 comm pkgs/main/linux-64::comm-0.1.2-py311h06a4308_0 conda-build pkgs/main/linux-64::conda-build-24.1.0-py311h06a4308_0 conda-index pkgs/main/noarch::conda-index-0.4.0-pyhd3eb1b0_0 cython pkgs/main/linux-64::cython-0.29.36-py311h5eee18b_0 debugpy pkgs/main/linux-64::debugpy-1.6.7-py311h6a678d5_0 decorator pkgs/main/noarch::decorator-5.1.1-pyhd3eb1b0_0 defusedxml pkgs/main/noarch::defusedxml-0.7.1-pyhd3eb1b0_0 executing pkgs/main/noarch::executing-0.8.3-pyhd3eb1b0_0 filelock pkgs/main/linux-64::filelock-3.13.1-py311h06a4308_0 iniconfig pkgs/main/noarch::iniconfig-1.1.1-pyhd3eb1b0_0 ipykernel pkgs/main/linux-64::ipykernel-6.28.0-py311h06a4308_0 ipython pkgs/main/linux-64::ipython-8.20.0-py311h06a4308_0 jedi pkgs/main/linux-64::jedi-0.18.1-py311h06a4308_1 jinja2 pkgs/main/linux-64::jinja2-3.1.3-py311h06a4308_0 json5 pkgs/main/noarch::json5-0.9.6-pyhd3eb1b0_0 jsonschema pkgs/main/linux-64::jsonschema-4.19.2-py311h06a4308_0 jsonschema-specif~ pkgs/main/linux-64::jsonschema-specifications-2023.7.1-py311h06a4308_0 jupyter-lsp pkgs/main/linux-64::jupyter-lsp-2.2.0-py311h06a4308_0 jupyter_client pkgs/main/linux-64::jupyter_client-8.6.0-py311h06a4308_0 jupyter_core pkgs/main/linux-64::jupyter_core-5.5.0-py311h06a4308_0 jupyter_events pkgs/main/linux-64::jupyter_events-0.8.0-py311h06a4308_0 jupyter_server pkgs/main/linux-64::jupyter_server-2.10.0-py311h06a4308_0 jupyter_server_te~ pkgs/main/linux-64::jupyter_server_terminals-0.4.4-py311h06a4308_1 jupyterlab pkgs/main/linux-64::jupyterlab-4.0.11-py311h06a4308_0 jupyterlab_pygmen~ pkgs/main/noarch::jupyterlab_pygments-0.1.2-py_0 jupyterlab_server pkgs/main/linux-64::jupyterlab_server-2.25.1-py311h06a4308_0 libgfortran-ng pkgs/main/linux-64::libgfortran-ng-11.2.0-h00389a5_1 libgfortran5 pkgs/main/linux-64::libgfortran5-11.2.0-h1234567_1 liblief pkgs/main/linux-64::liblief-0.12.3-h6a678d5_0 libopenblas pkgs/main/linux-64::libopenblas-0.3.21-h043d6bf_0 libsodium pkgs/main/linux-64::libsodium-1.0.18-h7b6447c_0 markupsafe pkgs/main/linux-64::markupsafe-2.1.3-py311h5eee18b_0 matplotlib-inline pkgs/main/linux-64::matplotlib-inline-0.1.6-py311h06a4308_0 mistune pkgs/main/linux-64::mistune-2.0.4-py311h06a4308_0 more-itertools pkgs/main/linux-64::more-itertools-10.1.0-py311h06a4308_0 nbclient pkgs/main/linux-64::nbclient-0.8.0-py311h06a4308_0 nbconvert pkgs/main/linux-64::nbconvert-7.10.0-py311h06a4308_0 nbformat pkgs/main/linux-64::nbformat-5.9.2-py311h06a4308_0 nest-asyncio pkgs/main/linux-64::nest-asyncio-1.5.6-py311h06a4308_0 notebook pkgs/main/linux-64::notebook-7.0.6-py311h06a4308_0 notebook-shim pkgs/main/linux-64::notebook-shim-0.2.3-py311h06a4308_0 numpy pkgs/main/linux-64::numpy-1.26.3-py311h24aa872_0 numpy-base pkgs/main/linux-64::numpy-base-1.26.3-py311hbfb1bba_0 overrides pkgs/main/linux-64::overrides-7.4.0-py311h06a4308_0 pandocfilters pkgs/main/noarch::pandocfilters-1.5.0-pyhd3eb1b0_0 parso pkgs/main/noarch::parso-0.8.3-pyhd3eb1b0_0 patch pkgs/main/linux-64::patch-2.7.6-h7b6447c_1001 patchelf pkgs/main/linux-64::patchelf-0.17.2-h6a678d5_0 pexpect pkgs/main/noarch::pexpect-4.8.0-pyhd3eb1b0_3 pkginfo pkgs/main/linux-64::pkginfo-1.9.6-py311h06a4308_0 prometheus_client pkgs/main/linux-64::prometheus_client-0.14.1-py311h06a4308_0 prompt-toolkit pkgs/main/linux-64::prompt-toolkit-3.0.43-py311h06a4308_0 prompt_toolkit pkgs/main/noarch::prompt_toolkit-3.0.43-hd3eb1b0_0 psutil pkgs/main/linux-64::psutil-5.9.0-py311h5eee18b_0 ptyprocess pkgs/main/noarch::ptyprocess-0.7.0-pyhd3eb1b0_2 pure_eval pkgs/main/noarch::pure_eval-0.2.2-pyhd3eb1b0_0 py-lief pkgs/main/linux-64::py-lief-0.12.3-py311h6a678d5_0 pygments pkgs/main/linux-64::pygments-2.15.1-py311h06a4308_1 pytest pkgs/main/linux-64::pytest-7.4.0-py311h06a4308_0 python-dateutil pkgs/main/noarch::python-dateutil-2.8.2-pyhd3eb1b0_0 python-fastjsonsc~ pkgs/main/linux-64::python-fastjsonschema-2.16.2-py311h06a4308_0 python-json-logger pkgs/main/linux-64::python-json-logger-2.0.7-py311h06a4308_0 python-libarchive~ pkgs/main/noarch::python-libarchive-c-2.9-pyhd3eb1b0_1 pytz pkgs/main/linux-64::pytz-2023.3.post1-py311h06a4308_0 pyyaml pkgs/main/linux-64::pyyaml-6.0.1-py311h5eee18b_0 pyzmq pkgs/main/linux-64::pyzmq-25.1.2-py311h6a678d5_0 referencing pkgs/main/linux-64::referencing-0.30.2-py311h06a4308_0 rfc3339-validator pkgs/main/linux-64::rfc3339-validator-0.1.4-py311h06a4308_0 rfc3986-validator pkgs/main/linux-64::rfc3986-validator-0.1.1-py311h06a4308_0 rpds-py pkgs/main/linux-64::rpds-py-0.10.6-py311hb02cf49_0 scipy pkgs/main/linux-64::scipy-1.11.4-py311h24aa872_0 send2trash pkgs/main/linux-64::send2trash-1.8.2-py311h06a4308_0 six pkgs/main/noarch::six-1.16.0-pyhd3eb1b0_1 sniffio pkgs/main/linux-64::sniffio-1.3.0-py311h06a4308_0 soupsieve pkgs/main/linux-64::soupsieve-2.5-py311h06a4308_0 stack_data pkgs/main/noarch::stack_data-0.2.0-pyhd3eb1b0_0 terminado pkgs/main/linux-64::terminado-0.17.1-py311h06a4308_0 tinycss2 pkgs/main/linux-64::tinycss2-1.2.1-py311h06a4308_0 tornado pkgs/main/linux-64::tornado-6.3.3-py311h5eee18b_0 traitlets pkgs/main/linux-64::traitlets-5.7.1-py311h06a4308_0 typing-extensions pkgs/main/linux-64::typing-extensions-4.9.0-py311h06a4308_1 typing_extensions pkgs/main/linux-64::typing_extensions-4.9.0-py311h06a4308_1 wcwidth pkgs/main/noarch::wcwidth-0.2.5-pyhd3eb1b0_0 webencodings pkgs/main/linux-64::webencodings-0.5.1-py311h06a4308_1 websocket-client pkgs/main/linux-64::websocket-client-0.58.0-py311h06a4308_4 yaml pkgs/main/linux-64::yaml-0.2.5-h7b6447c_0 zeromq pkgs/main/linux-64::zeromq-4.3.5-h6a678d5_0 Preparing transaction: ...working... done Verifying transaction: ...working... done Executing transaction: ...working... done Collecting matplotlib Downloading matplotlib-3.8.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (5.8 kB) Collecting contourpy>=1.0.1 (from matplotlib) Downloading contourpy-1.2.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (5.8 kB) Collecting cycler>=0.10 (from matplotlib) Downloading cycler-0.12.1-py3-none-any.whl.metadata (3.8 kB) Collecting fonttools>=4.22.0 (from matplotlib) Downloading fonttools-4.47.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (157 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 157.6/157.6 kB 828.8 kB/s eta 0:00:00 Collecting kiwisolver>=1.3.1 (from matplotlib) Downloading kiwisolver-1.4.5-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl.metadata (6.4 kB) Requirement already satisfied: numpy<2,>=1.21 in /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.11/site-packages (from matplotlib) (1.26.3) Requirement already satisfied: packaging>=20.0 in /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.11/site-packages (from matplotlib) (23.1) Collecting pillow>=8 (from matplotlib) Downloading pillow-10.2.0-cp311-cp311-manylinux_2_28_x86_64.whl.metadata (9.7 kB) Collecting pyparsing>=2.3.1 (from matplotlib) Downloading pyparsing-3.1.1-py3-none-any.whl.metadata (5.1 kB) Requirement already satisfied: python-dateutil>=2.7 in /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.11/site-packages (from matplotlib) (2.8.2) Requirement already satisfied: six>=1.5 in /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/python3.11/site-packages (from python-dateutil>=2.7->matplotlib) (1.16.0) Downloading matplotlib-3.8.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (11.6 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 11.6/11.6 MB 25.2 MB/s eta 0:00:00 Downloading contourpy-1.2.0-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (313 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 313.4/313.4 kB 5.3 MB/s eta 0:00:00 Downloading cycler-0.12.1-py3-none-any.whl (8.3 kB) Downloading fonttools-4.47.2-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (4.9 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.9/4.9 MB 20.7 MB/s eta 0:00:00 Downloading kiwisolver-1.4.5-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl (1.4 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.4/1.4 MB 17.5 MB/s eta 0:00:00 Downloading pillow-10.2.0-cp311-cp311-manylinux_2_28_x86_64.whl (4.5 MB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 4.5/4.5 MB 23.4 MB/s eta 0:00:00 Downloading pyparsing-3.1.1-py3-none-any.whl (103 kB) ━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 103.1/103.1 kB 1.4 MB/s eta 0:00:00 Installing collected packages: pyparsing, pillow, kiwisolver, fonttools, cycler, contourpy, matplotlib Successfully installed contourpy-1.2.0 cycler-0.12.1 fonttools-4.47.2 kiwisolver-1.4.5 matplotlib-3.8.2 pillow-10.2.0 pyparsing-3.1.1 Will remove 174 (182.3 MB) tarball(s). Will remove 1 index cache(s). Will remove 11 (19.2 MB) package(s). There are no tempfile(s) to remove. There are no logfile(s) to remove. -- Miniconda install successful! -- Found PythonLibs: /home/enz/shokhen/localdisk/amber20_src/build/CMakeFiles/miniconda/install/lib/libpython3.11.so (found version "3.11.5") -- Checking for Python package numpy -- found -- Checking for Python package scipy -- found -- Checking for Python package matplotlib -- found -- Checking for Python package setuptools -- found -- Checking for Python package tkinter -- found -- Checking for Python package distutils.sysconfig -- found CMake Error at cmake/PythonBuildConfig.cmake:129 (message): Failed to determine relative PYTHONPATH: python command failed with error Traceback (most recent call last): File "", line 1, in KeyError: 'unix_prefix' Call Stack (most recent call first): CMakeLists.txt:122 (include) -- Configuring incomplete, errors occurred! If the cmake build report looks OK, you should now do the following: make install source /home/enz/shokhen/localdisk/amber20/amber.sh Consider adding the last line to your login startup script, e.g. ~/.bashrc