how do I set the path to python library for nwchem

Clicked A Few Times	9:45:03 AM PDT - Wed, Jul 30th 2014 I am trying to compile NWCHEM with python but I get this error gfortran: error: /usr/lib/python2.7/config/libpython2.7.a: No such file or directory below is my environment export LARGE_FILES=TRUE export USE_NOFSCHECK=TRUE export LIB_DEFINES=-DDFLT_TOT_MEM=16777216 export NWCHEM_TOP=/edfs/users/jacob/softwares/nwchem-6.0-6.3 export MRCC_METHODS=y export USE_MPI=y export MPI_LIB=/edfs/users/jacob/softwares/mpich-3.0.4-install/lib export MPI_INCLUDE=/edfs/users/jacob/softwares/mpich-3.0.4-install/include export LIBMPI="-lmpichf90 -lmpich -lopa -lmpl -lrt -lpthread" export NWCHEM_TARGET=LINUX64 export NWCHEM_MODULES="python pnnl" export PYTHONVERSION=2.7 export PYTHONHOME=/usr export PYTHONLIBTYPE=a Thank you

Forum Vet	10:05:32 AM PDT - Wed, Jul 30th 2014 Jacob You probably have a dynamical version of the python library, therefore you need the following setting export PYTHONLIBTYPE=so Another issue might be the location of the library itself. It is in in /usr/lib64, instead of /usr, you would need export USE_PYTHON64=y If you still cannot link, please send the output of the command ls /usr/lib*/python*/config*/libpython*.*

Clicked A Few Times	10:50:00 AM PDT - Wed, Jul 30th 2014 Hi Edo, I did set the evironment you specified, but it did not solve problem. I have both the static and dynamic python libs but they are not where nwchem is searching as you can see /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7-pic.a /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.so /usr/lib/python3.4/config-3.4m-x86_64-linux-gnu/libpython3.4m.so /usr/lib/python3.4/config-3.4m-x86_64-linux-gnu/libpython3.4.so Thanks Jacob

Forum Vet	11:33:11 AM PDT - Wed, Jul 30th 2014 Jacob You need to apply the following patch http://nwchemgit.github.io/images/Pythonconfigdir.patch.gz and set the env. variable PYTHONCONFIGDIR=config-x86_64-linux-gnu Recipe in detail 1) cd $NWCHEM_TOP/src 2) wget http://nwchemgit.github.io/images/Pythonconfigdir.patch.gz 3) gzip -d Pythonconfigdir.patch.gz 4) patch -p0 < Pythonconfigdir.patch 5) export PYTHONCONFIGDIR=config-x86_64-linux-gnu 6) make link PS Are you using Ubuntu 14.04?

Clicked A Few Times	12:06:59 PM PDT - Wed, Jul 30th 2014 yes I am using Ubuntu 14.04

Clicked A Few Times	1:09:25 PM PDT - Wed, Jul 30th 2014 well, I still can not link the libraries despit adding th batch, Now it is looking a different path gfortran: error: /usr/lib/lib64/python2.7/config-x86_64-linux-gnu/libpython2.7.a: No such file or directory

Forum Vet	3:03:59 PM PDT - Wed, Jul 30th 2014 unset USE_PYTHON64

Clicked A Few Times	8:07:25 AM PDT - Thu, Jul 31st 2014 This error appears after unset USE_PYTHON64 with export PYTHONLIBTYPE=a /usr/lib/python2.7/config-x86_64-linux-gnu/libpython2.7.a(posixmodule.o): In function `posix_tmpnam': (.text.unlikely+0x950): warning: the use of `tmpnam_r' is dangerous, better use `mkstemp' when you set "export PYTHONLIBTYPE=so" everything compiles just fine. Thank you very much Edo

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