docker: Set up for building our image and running tests/code

Dockerfile

@@ -0,0 +1,35 @@
+FROM ubuntu
+
+ENV HOME_DIR /home/pk
+
+# Install base utilities.
+RUN apt-get update \
+    && apt-get install -y build-essential \
+    && apt-get install -y wget \
+    && apt-get install -y git \
+    && apt-get clean \
+    && rm -rf /var/lib/apt/lists/*
+
+# https://stackoverflow.com/questions/27701930/how-to-add-users-to-docker-container
+RUN useradd --create-home --shell /bin/bash pk
+USER pk
+WORKDIR $HOME_DIR
+
+# Install miniconda.
+ENV CONDA_DIR $HOME_DIR/opt/conda
+RUN wget --quiet https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh -O ~/miniconda.sh && \
+/bin/bash ~/miniconda.sh -b -p $HOME_DIR/opt/conda
+
+# Put conda on the path so we can use the command.
+ENV PATH=$CONDA_DIR/bin:$PATH
+
+# Get pykokkos.
+RUN git clone https://github.com/kokkos/pykokkos-base
+
+# Install dependencies.
+RUN conda install -c conda-forge --yes mamba
+RUN conda init
+RUN mamba install -c conda-forge --yes --file pykokkos-base/requirements.txt
+COPY requirements.txt /tmp/requirements.txt
+RUN mamba install -c conda-forge --yes --file /tmp/requirements.txt
+RUN cd pykokkos-base && python setup.py install -- -DENABLE_LAYOUTS=ON -DENABLE_MEMORY_TRAITS=OFF -DENABLE_VIEW_RANKS=3 -DENABLE_CUDA=OFF -DENABLE_THREADS=OFF -DENABLE_OPENMP=ON

pk

@@ -0,0 +1,58 @@
+#!/bin/bash
+
+PROJECT="pykokkos"
+TAG="latest"
+CHOME="/home/pk"
+
+
+# ----------
+# Functions.
+
+function docker_clean() {
+        # Clean docker containers and images (this function is
+        # aggressive and cleans a lot more than necessary). Run only
+        # if you know the risk.
+
+        docker ps -a | grep -v 'CONTA' | cut -f1 -d' ' | xargs -I xxx docker rm xxx
+        docker images | grep "${PROJECT}" | awk '{ print $3 }' | xargs -I xxx docker image rm xxx
+        docker images | grep '<none>' | awk '{ print $3 }' | xargs -I xxx docker image rm xxx
+}
+
+function docker_build() {
+        local -r tag="${1:-$TAG}"
+
+        [ -z "${tag}" ] && return 1
+        [ ! -f "Dockerfile" ] && return 1
+
+        docker build -t "${PROJECT}:${tag}" -f Dockerfile .
+}
+
+function test_cmd_container() {
+        ( cd "${CHOME}/pykokkos"
+          python runtests.py )
+}
+
+function cmd_in_container() {
+        local -r name="${1}"
+
+        ( cd "${CHOME}/pykokkos"
+          export PYTHONPATH=pykokkos:$PYTHONPATH
+          python "${name}" )
+}
+
+function run_example() {
+        local -r name="${1}"
+
+        [ -z "${name}" ] && \
+                { echo "no example name provided"; return 1; }
+
+        docker run --volume $(pwd):"${CHOME}/pykokkos" \
+               "${PROJECT}" \
+               "${CHOME}/pykokkos/pk" "cmd_in_container" "${name}"
+}
+
+function run_tests() {
+        run_example "runtests.py"
+}
+
+"$@"

requirements.txt

@@ -0,0 +1,5 @@
+pybind11>=2.11.1
+cupy>=12.2.0
+patchelf>=0.17.2
+pytest>=7.4.3
+python=3.11