bast

Bootstrap: docker
From: ubuntu:21.04

%files
  requirements.txt

%post
  export DEBIAN_FRONTEND=noninteractive
  apt-get update -y
  apt install -y texlive texlive-fonts-extra latexmk

bast

Setting up NixOs with LUKS encrypted root

Here are my working notes on getting a system up and running.

WARNING: You can run into a hidden problem that will prevent a correct partition setup and /etc/nixos/configuration.nix from working: if you are setting up a UEFI system, then you need to make sure you boot into the NixOS installation from the UEFI partition of the bootable media. You may have to enter your BIOS boot selection menu to verify this. For example, if you setup a NixOS installer image on a flash drive, your BIOS menu may display several boot options from that flash drive: choose the one explicitly labeled with “UEFI”.

References

I used these resources:

bast

#!/usr/bin/env python
#    srdft_lda_molhes
#    ----------------
#    Molecule:         Ethane
#    Wave Function:    srDFT (LDA) / STO-3G
#    Test Purpose:     Test analytical molecular hessian and dipole gradient

import os
import sys
sys.path.append(os.path.join(os.path.dirname(__file__), '..'))

bast

# Sample episode in MyST Markdown

``````{challenge} some challenge
  `````{tabs}
    ````{tab} some tab
  
      ```{literalinclude} conf.py
      :language: python
      :emphasize-lines: 5-10
      :linenos:

bast

import cProfile

from dftd3.dftd3 import D3Configuration, d3


def main(config, charges, coordinates):
    d3_au = d3(config, charges, *coordinates)


coordinates = [

bast

• https://corgis-edu.github.io/corgis/csv/
• https://vincentarelbundock.github.io/Rdatasets/datasets.html

bast

# https://github.com/seperman/deepdiff
from deepdiff import DeepDiff

d1 = {"something": 1, "another": 2, "yet another": 3}
d2 = {"something": 2, "another": 2, "yet another": 3}

difference = DeepDiff(d1, d2, ignore_order=True)
print(difference)

d1 = {"something": 1, "another": 2, "yet another": 3}

bast

struct Point {
    x: f64,
    y: f64,
}

fn custom(p1: &Point, p2: &Point) -> f64 {
    let dx = p2.x - p1.x;
    let dy = p2.y - p1.y;
    let d = dx * dx + dy * dy;
    return d.sqrt();

bast

! /usr/bin/time -v ./a.out
program example

    implicit none

    integer(8), parameter :: mw = 1000000  ! 200 MW or 1525 MB
    real(8), allocatable :: a(:)

    print *, 'will try to allocate', 200*mw, 'double precision floats'

bast

wget -qO- https://github.com/Kitware/CMake/releases/download/v3.16.4/cmake-3.16.4-Linux-x86_64.tar.gz | tar xz
mv cmake-3.16.4-Linux-x86_64 cmake

# you can load this in a script that needs CMake
export PATH=$HOME/cmake/bin:$PATH

cmake --version
# cmake version 3.16.4