Amber-MD / cpptraj

Biomolecular simulation trajectory/data analysis.
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new macos issue #1020

Open hainm opened 1 year ago

hainm commented 1 year ago

Hi

I am trying with bash configure -shared -macAccelerate -noarpack -nosanderlib clang

Then I picked n for the answer but getting error:

  Checking NetCDF4/HDF5:   
Checking HDF5:   Checking for bundled HDF5: Should CPPTRAJ attempt to build its own hdf5? {y|n}: n
Error: Building HDF5 failed.

I think the error is misleading since I picked a No answer.

hainm commented 1 year ago

If I pick y for the answer, I get another error

  Checking NetCDF4/HDF5:   
Checking HDF5:   Checking for bundled HDF5: Should CPPTRAJ attempt to build its own hdf5? {y|n}: y
    Downloading hdf5...
Warning: 'wget' not found. Trying curl.
  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed
  0     0    0     0    0     0      0      0 --:--:-- --:--:-- --:--:--     0
    Unpacking hdf5...
Error: Could not unpack hdf5-1_10_9.tar.gz
Error: Building HDF5 failed.
hainm commented 1 year ago

curl -O https://github.com/HDFGroup/hdf5/archive/refs/tags/hdf5-1_10_9.tar.gz

I don’t think above work correctly.

image
drroe commented 1 year ago

Checking HDF5: Checking for bundled HDF5: Should CPPTRAJ attempt to build its own hdf5? {y|n}: n

This is expected behavior. Since HDF5 is enabled by default, if you don't download and build it there is no HDF5, hence a failure. You need to explicitly disable it with -nohdf5.

Error: Could not unpack hdf5-1_10_9.tar.gz

Ugh. This is because wget follows redirects by default and curl does not. I need to add the -L flag to the curl command.

hainm commented 1 year ago

This is expected behavior. Since HDF5 is enabled by default, if you don't download and build it there is no HDF5, hence a failure. You need to explicitly disable it with -nohdf5.

Thanks. IMO, the error message should be clearer. (e.g: user say "no build" but cpptraj says "build failure").

I need to add the -L flag to the curl command.

yeah, this helps. Thanks.

drroe commented 1 year ago

@hainm I forgot to mention that I changed some of the error messages in #1019 - let me know if they are clearer now.

hainm commented 1 year ago

Yes, much clearer. Thanks.

On Tue, Mar 14, 2023 at 3:37 PM Daniel R. Roe @.***> wrote:

@hainm https://github.com/hainm I forgot to mention that I changed some of the error messages in #1019 https://github.com/Amber-MD/cpptraj/pull/1019 - let me know if they are clearer now.

— Reply to this email directly, view it on GitHub https://github.com/Amber-MD/cpptraj/issues/1020#issuecomment-1468712521, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABB645MQROBPRZIWCVHKM63W4DCHBANCNFSM6AAAAAAVWTISSE . You are receiving this because you were mentioned.Message ID: @.***>