Hi AMBER users,
I was trying to install the latest Amber (AMBER 22 and AmberTools) on my
workstation. Though the installation went fine, the following error came up
while doing the ' make test.serial' step.
----------------------------------------------------------------------------------------------------------
cd cpinutil && ./Run.cpin
Traceback (most recent call last):
File "/home/csl/amber22///bin/cpinutil.py", line 12, in <module>
from parmed.amber import AmberParm
ModuleNotFoundError: No module named 'parmed'
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/home/csl/amber22///bin/cpinutil.py", line 21, in <module>
raise ImportError('Could not import Amber Python modules. Please make
sure '
ImportError: Could not import Amber Python modules. Please make sure you
have sourced /home/csl/amber22///amber.sh (if you are using
sh/ksh/bash/zsh) or /home/csl/amber22///amber.csh (if you are using
csh/tcsh)
./Run.cpin: Program error
make[2]: *** [Makefile:386: test.cpinutil] Error 1
cd ceinutil && ./Run.cein
Traceback (most recent call last):
File "/home/csl/amber22///bin/ceinutil.py", line 12, in <module>
from parmed.amber import AmberParm
ModuleNotFoundError: No module named 'parmed'
-----------------------------------------------------------------------------------------------------------------
I have already source the $AMBERHOME path and my $PYTHONPATH is ' -bash:
/home/csl/amber22/lib/python3.12/site-packages'. I have also noticed that
'parmed' not present in my $AMBERHOME/bin directory. Further, 'pdb4amber -
h' thrown the following error,
--------------------------------------------------------------------------------------------------------------
csl.ph:~/amber22/bin$ pdb4amber -h
Traceback (most recent call last):
File "/home/csl/amber22/bin/pdb4amber", line 33, in <module>
sys.exit(load_entry_point('pdb4amber==22.0', 'console_scripts',
'pdb4amber')())
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/csl/amber22/bin/pdb4amber", line 25, in
importlib_load_entry_point
return next(matches).load()
^^^^^^^^^^^^^^^^^^^^
File
"/home/csl/amber22/miniconda/lib/python3.12/importlib/metadata/__init__.py",
line 205, in load
module = import_module(match.group('module'))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/csl/amber22/miniconda/lib/python3.12/importlib/__init__.py",
line 90, in import_module
return _bootstrap._gcd_import(name[level:], package, level)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "<frozen importlib._bootstrap>", line 1387, in _gcd_import
File "<frozen importlib._bootstrap>", line 1360, in _find_and_load
File "<frozen importlib._bootstrap>", line 1310, in
_find_and_load_unlocked
File "<frozen importlib._bootstrap>", line 488, in
_call_with_frames_removed
File "<frozen importlib._bootstrap>", line 1387, in _gcd_import
File "<frozen importlib._bootstrap>", line 1360, in _find_and_load
File "<frozen importlib._bootstrap>", line 1331, in
_find_and_load_unlocked
File "<frozen importlib._bootstrap>", line 935, in _load_unlocked
File "<frozen importlib._bootstrap_external>", line 995, in exec_module
File "<frozen importlib._bootstrap>", line 488, in
_call_with_frames_removed
File
"/home/csl/amber22/lib/python3.12/site-packages/pdb4amber/__init__.py",
line 1, in <module>
from . import pdb4amber
File
"/home/csl/amber22/lib/python3.12/site-packages/pdb4amber/pdb4amber.py",
line 7, in <module>
import parmed
ModuleNotFoundError: No module named 'parmed'
csl.ph:~/amber22/bin$
---------------------------------------------------------------------------------------------------------------
Any help would be highly appreciated.
Kind Regards
Anu
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Received on Tue Apr 02 2024 - 09:00:02 PDT
