implemented easyblock for NEURON, still WIP because run_test needs to be fixed
NWChem easyblock, ready to start testing (but incomplete w.r.t. module file generated and testing)
set LIBMPI correctly depending on MPI library being used, make sure LIBS is not defined when building
drop guard on usempi
symlink build dir to short path, i.e. random subdir in /tmp to get around 64-char limit on build path name (yes, there's a technical reason for it, see -DBASIS_LIBRARY preprocessor value when compiling bas_input.F
fix install step
fix typo
set proper default for MSG_COMMS
fix install step, shutil.copytree doesn't like it if destination already exists
track setting of environment variables
correct overly aggressive refactoring in install step, create default NWChem setting file
fix use of self.moduleGenerator
set correct NWCHEM_BASIS_LIBRARY
set C/Fortran optimization flags
stop passing logger to setvar, it now takes care of logging by itself
add easyblock for VSC-tools (mympirun)
set correct PYTHONPATH during installation and in module for VSC-tools
only check for non-empty dir 'lib', as packages may be installed in eggs
run getmem.nwchem script after building, run NWChem examples as test cases
contrib is in unpacked dir, not in build dir