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thomaslettau / Compile-on-draco.md
Last active October 12, 2023 14:43
Compile Octopus on Draco

Octopus 13.0 on Draco

Versions

  • gcc 8.5.0
  • openmpi-4.1.1
  • hdf5-1.14.2
  • netcdf-c-4.9.2
  • netcdf-fortran-4.6.1
  • libxc-5.2.3
  • fftw-3.3.10
@thomaslettau
thomaslettau / pacman_revert.py
Last active October 30, 2022 13:18
A small script which is reverting my pacman upgrades from a specific date. (Nvidia ...) It is only downgrading the packages from a specific date so one might have to call the script several times.
#!/usr/bin/python
from subprocess import call
import re
from os.path import exists
from os import environ
home = environ['HOME']
reg_time = re.compile(r'\[(\d{4}.+\d{4})\]')
@thomaslettau
thomaslettau / octopus.md
Last active June 15, 2022 17:12

Compile octopus with scalapack

export CFLAGS="-O3 -march=native"
export FCFLAGS="-O3 -ffree-line-length-none"
export CC=/home/thomas/repos/openmpi-3.1.6/install/bin/mpicc
export CXX=/home/thomas/repos/openmpi-3.1.6/install/bin/mpicxx
export FC=/home/thomas/repos/openmpi-3.1.6/install/bin/mpif90

./configure
--prefix=/home/thomas/repos/octopus-10.0/install_scala \

@thomaslettau
thomaslettau / compile_abinit.md
Last active October 11, 2023 15:26
compile abinit and prerequisites