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mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas
http://freesasa.github.io/
MIT License
103 stars 37 forks source link

SASA cannot be calculate ( ./configure --disable-threads) #79

Closed blacktanktop closed 2 years ago

blacktanktop commented 2 years ago

Hi! I configured below, ./configure --disable-threads --disable-xml --disable-json and I run make all then the compilation seemed to complete successfully, but I cannot compute SASA. How can I fix this?

% freesasa tests/data/1a0q.pdb
## FreeSASA 2.1.0 ##
FreeSASA:sasa_lr.c:178: error: L&R does not support more than 1 threads
FreeSASA:freesasa.c:172: error:
FreeSASA:freesasa.c:176: error:
freesasa: error: can't calculate SASA
mittinatten commented 2 years ago

Hi! The short term fix is probably to configure without “—disable-threads”, or run freesasa with the flag “-t 1” (I think that should work). But you shouldn’t be seeing this error, so I’ll have to investigate if any recent changes has introduced an error (when I’m back from vacation). Thanks for reporting!

Simon

mån 16 maj 2022 kl. 02:52 skrev くろたんく @.***>:

Hi! I configured below, ./configure --disable-threads --disable-xml --disable-json and I run `make all then the compilation seemed to complete successfully, but I cannot compute SASA. How can I fix this?

% freesasa tests/data/1a0q.pdb

FreeSASA 2.1.0

FreeSASA:sasa_lr.c:178: error: L&R does not support more than 1 threads FreeSASA:freesasa.c:172: error: FreeSASA:freesasa.c:176: error: freesasa: error: can't calculate SASA

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blacktanktop commented 2 years ago

thank you for reply just report above, version 2.03 and version 2.1.0

I just run with the flag “-t 1” (configure with “—disable-threads”) .freesasa -t 1 tests/data/1d3z.pdb then 

freesasa: error: option '-t' only defined if program compiled with thread support
mittinatten commented 2 years ago

I could reproduce the error and found the cause. It is fixed in the latest commit.

mittinatten commented 2 years ago

It is also now part of FreeSASA 2.1.1. Thanks for reporting, it seems this error can have been there a while actually (I guess it's uncommon to disable thread support).

blacktanktop commented 2 years ago

Thank you for update. (I noticed this error when I disabled threads due to a combination with other software)