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NWChem 6.8.1

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@nwchemgit nwchemgit released this 14 Jun 22:54
· 4617 commits to master since this release

The NWChem 6.8.1 release is now available. This is a maintenance release that contains fixes to bugs uncovered in the NWChem 6.8 release.

Installation instructions for the precompiled packages on Ubuntu 18

sudo apt -y install mpi-default-bin libgfortran4 libopenblas-base \
libopenmpi2 libscalapack-openmpi2.0 openmpi-bin libquadmath0 \
libfabric1 libhwloc5 libibverbs1 libpsm-infinipath1 \
openmpi-common libhwloc-plugins libnl-route-3-200 \
ocl-icd-libopencl1  librdmacm1



sudo dpkg -i nwchem_6.8.1+133+gitge032219-2_amd64.ubuntu_bionic.deb \