| 5:02:18 AM PST - Sat, Dec 20th 2014 |
|
Hello, i tried to install NWChem following the proceudre at:
http://nwchemgit.github.io/ndex.php/Compiling_NWChem
However, any version of python installed, 2.7 or 3.4 does not satisfy the criteria of the last step:
make USE_64TO32=y BLASOPT=" optimized BLAS"
Here either Python.h is missing, or another .so file.
When Python.h is located in its directory, /urs/lib/, the directory is used, then
make USE_64TO32=y BLASOPT=" optimized BLAS"
asks for another file, a ".so" file, when this is located, its directory is used, then
make USE_64TO32=y BLASOPT=" optimized BLAS"
asks for the Python.h again
How can I find the right directory that includes all these files?
Thanks!
This is the first part below:
setenv NWCHEM_TOP /home/nwchem
setenv NWCHEM_TARGET LINUX64
setenv ARMCI_NETWORK MELLANOX
mpif90 -show
gfortran -I/usr/local/include -pthread -I/usr/local/lib -L/usr/local/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil -lm -ldl
setenv USE_MPI y
setenv LIBMPI "-lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil -lm -ldl"
setenv MPI_LIB /usr/local/lib
setenv MPI_INCLUDE /usr/local/include
setenv NWCHEM_MODULES "all python"
setenv USE_NOFSCHECK TRUE
setenv USE_NOIO TRUE
setenv PYTHONHOME /usr/include/python2.7/
setenv PYTHONVERSION 2.7
setenv USE_PYTHON64 y
setenv PYTHONLIBTYPE so
setenv PYTHONCONFIGDIR config-x86_64-linux-gnu
cd $NWCHEM_TOP/src
make clean
make 64_to_32
make USE_64TO32=y BLASOPT=" optimized BLAS"
|
|
|