Adds automated testing of bootstrap

.github/workflows/test_ubuntu_install.yml

@@ -0,0 +1,22 @@
+name: Test Ubuntu Install
+
+on:
+    pull_request: {}
+    push:
+        branches: master
+
+jobs:
+  test:
+    strategy:
+      matrix:
+        os: [ubuntu-latest]
+
+    name: Test Bootstrap ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Run Bootstrap
+        run: |
+          cd config/setup/
+          sh ./bootstrap.sh

config/mamba/p311.yml

@@ -1,23 +1,16 @@
 name: p311
 channels:
     - conda-forge
-    - py311_bs
 dependencies:
     - python=3.11
     - pip
-    - psi4
-    - dftd3    
-    - gcp
-    - xtb
     - pip:
       - cclib
-      - geomeTRIC
       - matplotlib
       - more-itertools
       - natsort
       - pandas
       - pipx
-      - pyscf
       - scipy
 # Tools
       - black

config/setup/bootstrap.sh

@@ -0,0 +1,23 @@
+#!/usr/bin/env sh
+
+# Run script as root if not already.
+if [ $EUID -ne 0 ];
+then
+    exec sudo REAL_USER=${LOCAL_USER} /usr/bin/env bash "$0" "$@"
+fi
+
+if [ $(uname) = "Linux" ]
+then
+    sudo apt update
+    sudo apt install git zsh -y
+
+    git clone https://github.com/jevandezande/dotfiles ~/.dotfiles
+    ln -s ~/.dotfiles/zsh ~/.zsh
+    ln -s ~/.dotfiles/zshrc ~/.zshrc
+
+    export PATH=$PATH:/home/linuxbrew/.linuxbrew/bin
+
+    zsh ~/.dotfiles/config/setup/ubuntu_install.zsh
+else
+    echo "Unable to setup $(uname)"
+fi

config/setup/github_install.zsh

@@ -10,7 +10,7 @@ then
 fi
 
 github_progs=(
-    pipenv-cookiecutter
+    poetry-cookiecutter
     qgrep
     reaction_web
     spectra

config/setup/ubuntu_install.zsh

@@ -12,26 +12,22 @@ if [[ $EUID -ne 0 ]]; then
     exec sudo REAL_USER=${LOCAL_USER} /usr/bin/env bash "$0" "$@"
 fi
 
-
 echo "SSH keys setup!"
 zsh ssh_setup.zsh
 echo "Directories setup!"
 zsh helpers/setup_dirs.zsh
 
-
-# Pre-install these programs to allow parallel installs
-apt install curl ssnapd
-
-
 echo "Apt!"
-zsh apt_install.zsh &
+zsh apt_install.zsh
+
 echo "Snaps!"
-zsh snap_install.zsh &
+zsh snap_install.zsh
+
 echo "Brew!"
 zsh brew_install.zsh
 
 echo "Changing to ZSH!"
-chsh zsh
+chsh -s $(which zsh)
 
 
 #############
@@ -42,7 +38,7 @@ echo "Vim-Plug!"
 if [ ! -f ~/.vim/autoload/plug.vim ]
 then
     curl -fLo ~/.vim/autoload/plug.vim --create-dirs \
-        https://raw.githubusercontent.com/junegunn/vim-plug/master/plug.vim &
+        https://raw.githubusercontent.com/junegunn/vim-plug/master/plug.vim
 fi
 
 
@@ -51,25 +47,30 @@ echo "Zplug!"
 if [ ! -d ~/.zplug ]
 then
     curl -sL --proto-redir -all,https \
-        https://raw.githubusercontent.com/zplug/installer/master/installer.zsh | zsh &
+        https://raw.githubusercontent.com/zplug/installer/master/installer.zsh | zsh
 fi
 
 
 # Starship
-sh -c "$(curl -fsSL https://starship.rs/install.sh)" --yes &
+sh -c "$(curl -fsSL https://starship.rs/install.sh)" --yes
 
 
+pwd
 echo "Mamba!"
-zsh ~/.dotfiles/config/mamba_install.zsh &
+zsh mamba_install.zsh
+pwd
 
 
 # Relies on brew to install gh
 echo "Github programs!"
-zsh github_install.zsh &
+zsh github_install.zsh
+
 
+echo "Miscellaneous!"
+zsh miscellaneous.zsh
 
-echo "Miscellaneous"
-zsh miscellaneous.zsh &
 
+echo "rcup!"
+rcup
 
 echo "Finished Installing Programs for Ubuntu!"