QuantumMaterialsModelling / bands4vasp

bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi surfaces, Fermi vectors and spectral functions.
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error during installation and advise for usage? #12

Closed alpinnovianus closed 1 year ago

alpinnovianus commented 1 year ago

Hi bands4vasp developers,

I have question about installation. It is written that bands4vasp can be used in any bash environment, so I tried to install bands4vasp to my MacOS Mojave PC (hence also bash) Although it shows installation complete in the end, but I'm concerned about this error. It seems like installation did not finish correctly. Please see below and advise what I should do?

Also, may I know if bands4vasp is better used as a interactive lightweight postprocessing (hence to be installed in normal laptops), or better to be installed remotely in the computing cluster (non-interactive)?

The plotting seems nicer to have in an interactive environment, but the outputs from VASP especially the PROCAR file can be large to store in normal PCs. Hence, I would like to ask which way is bands4vasp designed to be operating at?

Thank you. Alpin

Do you want to add 'b4vasp' to your PATH variable [y/n]:y

adding new PATH ...

... compiling source code ...
dyld: Library not loaded: /usr/local/opt/isl/lib/libisl.22.dylib
  Referenced from: /usr/local/Cellar/gcc/9.3.0/libexec/gcc/x86_64-apple-darwin18/9.3.0/f951
  Reason: image not found
gfortran: internal compiler error: Abort trap: 6 signal terminated program f951
Please submit a full bug report,
with preprocessed source if appropriate.
See <https://github.com/Homebrew/homebrew-core/issues> for instructions.
dyld: Library not loaded: /usr/local/opt/isl/lib/libisl.22.dylib
  Referenced from: /usr/local/Cellar/gcc/9.3.0/libexec/gcc/x86_64-apple-darwin18/9.3.0/f951
  Reason: image not found
gfortran: internal compiler error: Abort trap: 6 signal terminated program f951
Please submit a full bug report,
with preprocessed source if appropriate.
See <https://github.com/Homebrew/homebrew-core/issues> for instructions.
dyld: Library not loaded: /usr/local/opt/isl/lib/libisl.22.dylib
  Referenced from: /usr/local/Cellar/gcc/9.3.0/libexec/gcc/x86_64-apple-darwin18/9.3.0/f951
  Reason: image not found
gfortran: internal compiler error: Abort trap: 6 signal terminated program f951
Please submit a full bug report,
with preprocessed source if appropriate.
See <https://github.com/Homebrew/homebrew-core/issues> for instructions.
dyld: Library not loaded: /usr/local/opt/isl/lib/libisl.22.dylib
  Referenced from: /usr/local/Cellar/gcc/9.3.0/libexec/gcc/x86_64-apple-darwin18/9.3.0/f951
  Reason: image not found
gfortran: internal compiler error: Abort trap: 6 signal terminated program f951
Please submit a full bug report,
with preprocessed source if appropriate.
See <https://github.com/Homebrew/homebrew-core/issues> for instructions.
gfortran: error: math.o: No such file or directory
gfortran: error: mylattice.o: No such file or directory
gfortran: error: ebs_typs.o: No such file or directory
gfortran: error: ebs_methods.o: No such file or directory
dyld: Library not loaded: /usr/local/opt/isl/lib/libisl.22.dylib
  Referenced from: /usr/local/Cellar/gcc/9.3.0/libexec/gcc/x86_64-apple-darwin18/9.3.0/f951
  Reason: image not found
gfortran: internal compiler error: Abort trap: 6 signal terminated program f951
Please submit a full bug report,
with preprocessed source if appropriate.
See <https://github.com/Homebrew/homebrew-core/issues> for instructions.
mv: rename getradlines4vasp to /Users/alpinnovianus/bands4vasp/bin/./getradlines4vasp: No such file or directory
mv: rename nebsfitting to /Users/alpinnovianus/bands4vasp/bin/./nebsfitting: No such file or directory

>>>>>>>>> installation complete <<<<<<<<<<<

enter 'b4vasp --help' for more information
MicheleReticcioli commented 1 year ago

Dear Alpin,

thanks for your feedback. The installation of the package does not have special requirement, except for a fully functioning gfortran environment (and gnuplot for generating plots). It seems you have some issue with libraries installed in your machine.

Regarding the usage of the package, both operational modes you described are possible. Using one or the other, or a combination of both depends on your own needs and preference.

Best, Michele