Add arch for apptainer

Author: yitzchak

apptainer/build-cando-apptainer-arch

@@ -0,0 +1,9 @@
+#! /bin/bash
+#
+# In the clasp toplevel directory use...
+#   make -f apptainer/makefile
+#
+
+rm -rf build-apptainer/*
+tar --exclude-vcs -cvf systems.tar -C $HOME ./common-lisp ./work/spiros/data ./work/data ~/common-lisp/amber-protein/products/
+apptainer build -F --bind $PWD:/mnt cando.sif apptainer/cando-arch.def

apptainer/cando-arch.def

@@ -0,0 +1,25 @@
+BootStrap: docker
+From: ghcr.io/yitzchak/archlinux-makepkg:latest
+
+%post
+    pacman -Syu --noconfirm binutils boost clang gmp fmt libunwind llvm ninja sbcl jupyterlab emacs openssh netcdf expat gocryptfs nodejs npm
+    cd /mnt
+    ./koga --extensions=cando --build-path=build-apptainer/
+    ninja -C build-apptainer
+    ninja -C build-apptainer install
+    wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
+    mkdir -p /home/cando/
+    chmod ugo+rwx /home/cando/
+    tar -xvf /mnt/systems.tar -C /home/cando
+    bash Miniconda3-latest-Linux-x86_64.sh -b -p /home/cando/miniconda3
+    rm -rf Miniconda3-latest-Linux-x86_64.sh
+    export PATH="/home/cando/miniconda3/bin:${PATH}"
+    conda install -y -c conda-forge ambertools
+    jupyter-lab build
+    chmod -R ugo+rw /home/cando/
+
+%environment
+    export PATH="/home/cando/miniconda3/bin:${PATH}"
+    export AMBERHOME=/home/cando/miniconda3
+
+