| 11:25:21 AM PDT - Fri, Jul 12th 2013 |
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Hello:
I have been trying to install NWChem-6.1.1 with the python options activated on a Ubuntu 12.04 system. I have followed the build instructions and cannot seem to get it to work. NWChem works, but the python option does not. The error is "python_input is not in this build of NWchem" and " A feature request has not yet been implemented'.
This is what I am doing:
/bin/csh
setenv NWCHEM_TOP /home/admin2/nwchem/nwchem-6.1.1
setenv NWCHEM_TARGET LINUX64
setenv NWCHEM_MODULES "all python" (I've also done "pnnl")
setenv LARGE_FILES TRUE
setenv USE_NOSFCHECK TRUE
setenv PYTHONHOME /usr
setenv PYTHONVERSION 2.7
make nwchem_config
make FC=gfortran >& make.log
I have also tried modifying the nwchem-6.1.1/src/config/makefile.h. I have tried changing the PYTHONLIBRARY=a to PYTHONLIBRARY=so and/or adding -lssl and -lz to EXTRA_LIBS += (line 1957).
Does anyone know what I am doing wrong? Thanks.
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