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Okay.
Some extra information:
– The final compile command is as follows, as the python interpreter cannot identify the openSuse distribution of gcc (installed with Yast, so its version identifier is different)
– scons bin mode=release -cxx=gcc -cxx_ver=4.3
– I did run the unit tests, all 526 of 526 passes (although I did note that there was a lot of warnings in the tests about not being able to find atoms from whatever).
e.g.
“core.io.pdb.file_data: [ WARNING ] can’t find atom for res 188 atom CG1 (trying to set temp)”
– those messages also appear in the integration, but otherwise most appears to have run and have spit out results.
“core.io.pdb.file_data: [ WARNING ] can’t find atom for res 71 atom 2HD2 (trying to set temp)”
Running scientific tests now…