Build/test/release with a container action

.github/workflows/build_base.yaml

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+# manually input version no.s here
+# will check in workflows to obtain 
+# this info from other files
+#
+
+name: Build base image
+
+on:
+  workflow_call:
+    inputs:
+      cmake_version:
+        type: string
+        required: false
+        default: 3.17.0
+      gcc_version:
+        type: string
+        required: false
+        default: 9
+      clang_version:
+        type: string
+        required: false
+        default: 11
+      ubuntu_version:
+        type: string
+        required: false
+        default: 20.04
+      madness_version:
+        type: string
+        required: false
+        default: 997e8b458c4234fb6c8c2781a5df59cb14b7e700
+      catch2_version:
+        type: string
+        required: false
+        default: 2.13.8
+      spdlog_version:
+        type: string
+        required: false
+        default: ad0e89cbfb4d0c1ce4d097e134eb7be67baebb36
+      cereal_version:
+        type: string
+        required: false
+        default: 1.3.0
+  workflow_dispatch:
+    inputs:
+      cmake_version:
+        type: string
+        required: false
+        default: 3.17.0
+      gcc_version:
+        type: string
+        required: false
+        default: 9
+      clang_version:
+        type: string
+        required: false
+        default: 11
+      ubuntu_version:
+        type: string
+        required: false
+        default: 20.04
+      madness_version:
+        type: string
+        required: false
+        default: 997e8b458c4234fb6c8c2781a5df59cb14b7e700
+      catch2_version:
+        type: string
+        required: false
+        default: 2.13.8
+      spdlog_version:
+        type: string
+        required: false
+        default: ad0e89cbfb4d0c1ce4d097e134eb7be67baebb36
+      cereal_version:
+        type: string
+        required: false
+        default: 1.3.0
+
+jobs:
+  build-image-gcc-clang-cmake:
+    uses: NWChemEx-Project/.github/.github/workflows/base_image_gcc-clang-cmake.yaml@master
+    with:
+      cmake_version: ${{ inputs.cmake_version }}
+      gcc_version: ${{ inputs.gcc_version }}
+      clang_version: ${{ inputs.clang_version }}
+      ubuntu_version: ${{ inputs.ubuntu_version }}
+    secrets: inherit
+
+  build-base-image:
+    runs-on: ubuntu-latest
+    needs: build-image-gcc-clang-cmake
+    steps:
+      - uses: actions/checkout@v3
+      - name: Login to GitHub Container Registry
+        uses: docker/login-action@v2
+        with:
+          registry: ghcr.io
+          username: ${{ github.actor }}
+          password: ${{ secrets.CONTAINER_REPO_TOKEN }}
+      - name: Install MADNESS and MPI
+        uses: NWChemEx-Project/.github/actions/install_package@master
+        with:
+          madness_version: ${{ inputs.madness_version }}
+          package_name: madness
+          parent_image_name: ghcr.io/nwchemex-project/base-cmake
+      - name: Install spdlog
+        uses: NWChemEx-Project/.github/actions/install_package@master
+        with:
+          spdlog_version: ${{ inputs.spdlog_version }}
+          package_name: spdlog
+          parent_image_name: base-madness
+      - name: Install cereal
+        uses: NWChemEx-Project/.github/actions/install_package@master
+        with:
+          cereal_version: ${{ inputs.cereal_version }}
+          package_name: cereal
+          parent_image_name: base-spdlog
+      - name: Install catch2
+        uses: NWChemEx-Project/.github/actions/install_package@master
+        with:
+          catch2_version: ${{ inputs.catch2_version }}
+          package_name: catch2
+          parent_image_name: base-cereal
+      - name: Push the base image
+        uses: NWChemEx-Project/.github/actions/push_package@master
+        with:
+          tmp_image_name: base-catch2
+          tmp_image_tag: latest
+          image_name: ghcr.io/nwchemex-project/base_parallelzone
+          image_tag: latest
+      - name: Check stable release image
+        id: image_exists
+        uses: cloudposse/github-action-docker-image-exists@main
+        with:
+          image_name: nwchemex-project/base_parallelzone
+          registry: ghcr.io
+          organization: "${{ github.event.repository.owner.login }}"
+          repository: "${{ github.event.repository.name }}"
+          login: ${{ github.actor }}
+          password: "${{ secrets.CONTAINER_REPO_TOKEN }}"
+          tag: stable
+      - name: Push stable release image if not exist
+        if: ${{ steps.image_exists.conclusion != 'success' }}
+        uses: NWChemEx-Project/.github/actions/push_image@master
+        with:
+          tmp_image_name: ghcr.io/nwchemex-project/base_parallelzone
+          tmp_image_tag: latest
+          image_name: ghcr.io/nwchemex-project/base_parallelzone
+          image_tag: stable

Dockerfile/base-catch2.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+ARG PARENT_IMAGE_NAME
+
+FROM ${PARENT_IMAGE_NAME}:latest
+
+ARG CATCH2_VERSION
+
+# Install catch2 ##
+RUN cd /tmp \
+    && git clone -b v${CATCH2_VERSION} https://github.com/catchorg/Catch2.git \
+    && cd Catch2 \
+    && cmake -Bbuild -H. -DBUILD_TESTING=OFF -DCMAKE_INSTALL_PREFIX=/install \
+    && cmake --build build \
+    && cmake --build build --target install \
+    && rm -rf /tmp/Catch2

Dockerfile/base-cereal.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+ARG PARENT_IMAGE_NAME
+
+FROM ${PARENT_IMAGE_NAME}:latest
+
+ARG CEREAL_VERSION
+
+# Install cereal
+RUN cd /tmp \
+    && git clone https://github.com/USCiLab/cereal.git \
+    && cd cereal \
+    && git checkout tags/v${CEREAL_VERSION} \
+    && export BUILD_TARGET=cereal \
+    && export FIND_TARGET=cereal \
+    && cmake -DJUST_INSTALL_CEREAL=ON -DCMAKE_INSTALL_PREFIX=/install -Bbuild . \
+    && cmake --build build \
+    && cmake --build build --target install \
+    && rm -rf /tmp/cereal

Dockerfile/base-madness.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+ARG PARENT_IMAGE_NAME
+
+FROM ${PARENT_IMAGE_NAME}:latest
+
+# Install mpi
+RUN    apt-get update \
+        && DEBIAN_FRONTEND=noninteractive apt-get install -y \
+                openmpi-bin \
+                libopenmpi-dev 
+ARG MADNESS_VERSION
+
+# Install MADNESS
+RUN cd /tmp \
+    && git clone https://github.com/m-a-d-n-e-s-s/madness.git \
+    && cd madness \
+    && git checkout ${MADNESS_VERSION} \
+    && export BUILD_TARGET=MADworld \
+    && export FIND_TARGET=MADworld \
+    && cmake -DENABLE_UNITTESTS=OFF -DMADNESS_BUILD_MADWORLD_ONLY=ON -DMADNESS_ENABLE_CEREAL=ON -DENABLE_MKL=OFF -DENABLE_ACML=OFF -DBUILD_TESTING=OFF -DCMAKE_INSTALL_PREFIX=/install -Bbuild . \
+    && cmake --build build \
+    && cmake --build build --target install \
+    && rm -rf /tmp/madness

Dockerfile/base-spdlog.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+ARG PARENT_IMAGE_NAME
+
+FROM ${PARENT_IMAGE_NAME}:latest
+
+ARG SPDLOG_VERSION
+
+# Install spdlog
+RUN cd /tmp \
+    && git clone https://github.com/gabime/spdlog.git \
+    && cd spdlog \
+    && git checkout ${SPDLOG_VERSION} \
+    && export BUILD_TARGET=spdlog \
+    && export FIND_TARGET=spdlog::spdlog \
+    && cmake -DSPDLOG_INSTALL=ON -DCMAKE_INSTALL_PREFIX=/install -DCMAKE_CXX_FLAGS="-fPIC" -Bbuild . \
+    && cmake --build build \
+    && cmake --build build --target install \
+    && rm -rf /tmp/spdlog

Dockerfile/build_tmp.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+ARG btag
+
+###
+
+FROM ghcr.io/nwchemex-ci-test/base_parallelzone:$btag

Dockerfile/release.Dockerfile

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+# Copyright 2023 NWChemEx-Project
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+# http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+FROM ubuntu:20.04
+ADD install /install