Dear amber users,
I meet a problem when I install MMPBSA.py on my computer. Here are the process of installation and errors:
Before I compile it, I apply the patches first. But I guess that the patching is failed, just as showed like this:
patching file src/mmpbsa_py/MMPBSA.py
patching file src/mmpbsa_py/MMPBSA.py.MPI
patching file src/mmpbsa_py/mmpbsa_entropy.nab
patching file src/mmpbsa_py/Makefile
Reversed (or previously applied) patch detected! Skipping patch.
1 out of 1 hunk ignored -- saving rejects to file src/mmpbsa_py/Makefile.rej
patching file src/mmpbsa_py/utils.py
patching file src/mmpbsa_py/MMPBSA.py.MPI
Hunk #1 succeeded at 1020 (offset -3 lines).
patching file src/mmpbsa_py/utils.py
Hunk #1 FAILED at 4.
1 out of 4 hunks FAILED -- saving rejects to file src/mmpbsa_py/utils.py.rej
So when I ran make serial in mmpbsa_py, it failed. Here are the errors:
/bin/bash setup.sh
Python version 2 detected. No file conversion necessary.
/bin/cp MMPBSA.py *pyc /vol5/home/cadd/amber/amber10/bin
/vol5/home/cadd/amber/amber10/bin/nab -o mmpbsa_py_nabnmode mmpbsa_entropy.nab
mmpbsa_entropy.nab:58 fld 'ls_method' not in struct 'xo'
mmpbsa_entropy.nab:58 operator '=': left operand has wrong class.
mmpbsa_entropy.nab:58 unknown attribute 'ls_method'
mmpbsa_entropy.nab:59 fld 'ls_maxiter' not in struct 'xo'
mmpbsa_entropy.nab:59 operator '=': left operand has wrong class.
mmpbsa_entropy.nab:59 unknown attribute 'ls_maxiter'
mmpbsa_entropy.nab:60 fld 'ls_maxatmov' not in struct 'xo'
mmpbsa_entropy.nab:60 operator '=': left operand has wrong class.
mmpbsa_entropy.nab:60 unknown attribute 'ls_maxatmov'
nab2c failed!
make: [install] Error 1 (ignored)
/bin/mv mmpbsa_py_nabnmode /vol5/home/cadd/amber/amber10/bin
/bin/mv: cannot stat `mmpbsa_py_nabnmode': No such file or directory
make: [install] Error 1 (ignored)
>From the above lines, I guess it is the problem of patching, so could someone tell me how to figure it out? Any response will be highly appreciated. Thanks!
--
Best wishes,
Qinghua
Ph.D student of Tianjin University, China
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Received on Fri Apr 08 2011 - 02:00:03 PDT
