Attempting build/install on a CentOS 7 system and running into some issues. I’m just a sysadmin trying to get this installed for one of my scientist clients 😊
First, during the ‘run_cmake’ step, received error about "unix_prefix" during the python/miniconda install/config portion.
Found this resolution someone posted: https://hpc.cloud/d/87-amber20/2
Replaced "unix_prefix" with "posix_prefix" and reran run_cmake which completed.
During 'make install' ran into the below issue and it ended there.
-- Fixing Miniconda script shebangs
CMake Error at /tmp/amber/amber20_src/cmake/Replace-function.cmake:32 (file):
file failed to open for reading (No such file or directory):
/opt/amber/amber20//miniconda{base}/lib/{implementation_lower}{py_version_short}/site-packages/conda_build/convert.py
Call Stack (most recent call first):
/tmp/amber/amber20_src/cmake/FixCondaShebang/FixCondaShebang.cmake:43 (configuretime_file_replace)
Ran the ‘make test.serial’ anyway to see what would happen and it complains right away about the python environment:
-bash-4.2$ make test.serial
(cd AmberTools/test && make test)
make[1]: Entering directory `/opt/amber/amber20/AmberTools/test'
./test_at_serial.sh
Error: Could not import Amber Python modules!
Probably your Amber Python environment was not set up correctly.
It did run a bunch of tests and I got this at the end:
Finished serial test suite for Amber 20 at Tue Dec 13 15:18:20 CST 2022.
make[2]: Leaving directory `/opt/amber/amber20/test'
195 file comparisons passed
1 file comparisons failed (0 of which can be ignored)
0 tests experienced errors
Test log file saved as /opt/amber/amber20/logs/test_amber_serial/2022-12-13_15-11-06.log
Test diffs file saved as /opt/amber/amber20/logs/test_amber_serial/2022-12-13_15-11-06.diff
make[1]: *** [test] Error 1
make[1]: Leaving directory `/opt/amber/amber20/test'
Summary of AmberTools serial tests:
cat: ../logs/test_at_serial/at_summary: No such file or directory
make: *** [test.serial] Error 1
-bash-4.2$
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Received on Tue Dec 13 2022 - 14:00:03 PST
