Chemellia / ChemistryFeaturization.jl

Interface package for featurizing atomic structures
https://chemistryfeaturization.chemellia.org/dev/
MIT License
41 stars 14 forks source link

#92 might not be a sustainable fix #104

Closed thazhemadam closed 3 years ago

thazhemadam commented 3 years ago

Running upgrade ChemistryFeaturization in a local environment for AtomicGraphNets caused an error -

ERROR: Error building `ChemistryFeaturization`: 
Collecting package metadata (current_repodata.json): ...working... done
Solving environment: ...working... done
# All requested packages already installed.
Collecting package metadata (current_repodata.json): ...working... done
Solving environment: ...working... done
# All requested packages already installed.
Collecting package metadata (current_repodata.json): ...working... done
Solving environment: ...working... done
# All requested packages already installed.
Collecting package metadata (repodata.json): ...working... done
Solving environment: ...working... failed
PackagesNotFoundError: The following packages are missing from the target environment:
  - mkl
[ Info: Running `conda install -y -c conda-forge ase` in root environment
[ Info: Running `conda install -y -c conda-forge rdkit` in root environment
[ Info: Running `conda install -y -c conda-forge pymatgen` in root environment
[ Info: Running `conda remove -y mkl` in root environment
ERROR: LoadError: failed process: Process(setenv(`/Users/rkurchin/.julia/conda/3/bin/conda remove -y mkl`,["XPC_FLAGS=0x0", "PWD=/Users/rkurchin/git_repos/AtomicGraphNets.jl", "XPC_SERVICE_NAME=0", "TERM_PROGRAM=vscode", "VSCODE_GIT_ASKPASS_NODE=/private/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/AppTranslocation/F063CB06-C177-4113-A641-1D39C7CF6994/d/Visual Studio Code.app/Contents/Frameworks/Code Helper (Renderer).app/Contents/MacOS/Code Helper (Renderer)", "SHELL=/bin/zsh", "VSCODE_GIT_ASKPASS_MAIN=/private/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/AppTranslocation/F063CB06-C177-4113-A641-1D39C7CF6994/d/Visual Studio Code.app/Contents/Resources/app/extensions/git/dist/askpass-main.js", "__CF_USER_TEXT_ENCODING=0x1F5:0x0:0x0", "GIT_ASKPASS=/private/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/AppTranslocation/F063CB06-C177-4113-A641-1D39C7CF6994/d/Visual Studio Code.app/Contents/Resources/app/extensions/git/dist/askpass.sh", "VSCODE_GIT_IPC_HANDLE=/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/vscode-git-2ea4c5f5ce.sock"  …  "SSH_AUTH_SOCK=/private/tmp/com.apple.launchd.DRpPU5mZJv/Listeners", "JULIA_LOAD_PATH=@:/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/jl_cHo7jp", "JULIA_EDITOR=\"/private/var/folders/s5/dcc5cmts1t14tsx8k7jxcn5m0000gn/T/AppTranslocation/F063CB06-C177-4113-A641-1D39C7CF6994/d/Visual Studio Code.app/Contents/Resources/app/bin/code\"", "HOME=/Users/rkurchin", "TERM=xterm-256color", "TERM_PROGRAM_VERSION=1.47.3", "JULIA_NUM_THREADS=", "COLORTERM=truecolor", "OPENBLAS_MAIN_FREE=1", "PYTHONIOENCODING=UTF-8"]), ProcessExited(1)) [1]
Stacktrace:
 [1] pipeline_error
   @ ./process.jl:525 [inlined]
 [2] run(::Cmd; wait::Bool)
   @ Base ./process.jl:440
 [3] run
   @ ./process.jl:438 [inlined]
 [4] runconda(args::Cmd, env::String)
   @ Conda ~/.julia/packages/Conda/sNGum/src/Conda.jl:129
 [5] rm (repeats 2 times)
   @ ~/.julia/packages/Conda/sNGum/src/Conda.jl:226 [inlined]
 [6] top-level scope
   @ ~/.julia/packages/ChemistryFeaturization/O2LBl/deps/build.jl:6
 [7] include(fname::String)
   @ Base.MainInclude ./client.jl:444
 [8] top-level scope
   @ none:5
in expression starting at /Users/rkurchin/.julia/packages/ChemistryFeaturization/O2LBl/deps/build.jl:6

This seems to have been caused because of #92. We probably need a more sustainable, and less sketchy fix for that.

Note - The error occurred on a macOS-x64 system, and I wasn't able to personally reproduce this error on a Linux-x86_64 system.

rkurchin commented 3 years ago

Note that everything still precompiled and worked afterwards, so it doesn't seem to be a breaking error, but is obviously quite nonideal.