QuantumPackage / qp2

Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
GNU Affero General Public License v3.0
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Issues Installing Quantum Package Using zsh Shell #312

Closed djstaros closed 10 months ago

djstaros commented 10 months ago

When attempting to install Quantum Package 2 following the install instructions at https://quantum-package.readthedocs.io/en/master/intro/install.html on a 2020 MacBook Pro (default shell zsh) running Ventura, I run into several issues which seem to ultimately be related to the shell environment. I am unable to figure out how to build Quantum Package 2 due to these issues.

This is what I have tried: Step 1: git clone https://github.com/QuantumPackage/qp2 (then cd into qp2) Step 2: ./configure -i all (NOTE: ./configure on its own gave me issues about dependencies not being installed) Step 3: ./configure -c config/gfortran.cfg Step 4: source quantum_package.rc --> ERROR: quantum_package.rc:cd:22: no such file or directory: /Users/danielstaros/etc Step 5: Set QP_ROOT="/Users/danielstaros/Codes/qp2" within quantum_package.rc Step 6: source quantum_package.rc --> ERROR: quantum_package.rc:cd:22: no such file or directory: /Users/danielstaros/etc Step 7: echo $(ps -p $$ -ocomm=) --> OUTPUT: -zsh Step 8: Change "zsh" in quantum_package.rc to "-zsh" Step 9: source quantum_package.rc --> ERRORS: configure.rc:34: command not found: complete --> qp.rc:301: command not found: complete Step 10: Add the following to my ~/.zshrc file and re-source ~/.zshrc (suggestion from StackOverflow): --> autoload -U +X bashcompinit && bashcompinit --> autoload -U +X compinit && compinit Step 11: source quantum_package.rc --> NO ERROR! Step 12: make --> ERRORS: ocamlfind: Package 'zmq' not found --> Command exited with code 2. --> Compilation unsuccessful after building 1 target (0 cached) in 00:00:00. --> make[1]: *** [qptypes_generator.byte] Error 10 --> FAILED: ocaml_target --> make -C /Users/danielstaros/Codes/qp2/ocaml --> ninja: build stopped: subcommand failed. --> make: *** [default] Error 1

This looks like some issue regarding ocaml, but ocaml seemed to install correctly when I configured the dependencies in Step 2. I have not been able to troubleshoot this error, but even if I was, this example still makes it clear that installing Quantum Package 2 in a zsh shell on MacBook Pro is not particularly straightforward. I believe the user experience would definitely benefit from changes that address this issue, if possible. Any insight for how to fix this would be greatly appreciated!

Thank you, Daniel Staros

scemama commented 10 months ago

Dear Daniel, MacOS is not supported by QP, only Linux. We are working on it (in low priority), but there is still a lot to do. best, Anthony

djstaros commented 10 months ago

Dear Anthony,

Thank you for the prompt response. I see. I am looking forward to the support whenever it is launched :) Feel free to close this issue until then.

Kind regards, Daniel