Build PROFESS on Pals computer

ferchault / APDFT

APDFT calculates quantumchemical results for many molecules at once.

https://ferchault.github.io/APDFT/

GNU General Public License v3.0

14 stars 4 forks source link

Closed michasahre closed 4 years ago

michasahre commented 4 years ago

check compiler version get FFTW, done get LibXc, use Pals get MPI, already there get LAPACK, libblas and liblapack are in /usr/lib/x86_64-linux-gnu

serial version build succesfully