BM as the prefix of openmpi and lapack images

.github/workflows/extract-image-names.sh

@@ -9,27 +9,33 @@ set -euo pipefail
 # The input to this script is a JSON string passed via BAKE_METADATA env variable
 # Here's example input (trimmed to relevant bits):
 # BAKE_METADATA: {
-#    "qc-base": {
+#    "bm": {
 #      "containerimage.descriptor": {
 #        "mediaType": "application/vnd.docker.distribution.manifest.v2+json",
 #        "digest": "sha256:8e57a52b924b67567314b8ed3c968859cad99ea13521e60bbef40457e16f391d",
 #        "size": 6170,
 #      },
 #      "containerimage.digest": "sha256:8e57a52b924b67567314b8ed3c968859cad99ea13521e60bbef40457e16f391d",
-#      "image.name": "ghcr.io/containers4hpc/qc-base"
+#      "image.name": "ghcr.io/containers4hpc/bm"
 #    },
-#    "qc-full-stack": {
-#      "image.name": "ghcr.io/containers4hpc/qc-full-stack"
+#    "bm-openmpi": {
+#      "image.name": "ghcr.io/containers4hpc/bm-openmpi"
 #      "containerimage.digest": "sha256:85ee91f61be1ea601591c785db038e5899d68d5fb89e07d66d9efbe8f352ee48",
 #      "...": ""
+#    },
+#    "bm-lapack": {
+#      "image.name": "ghcr.io/containers4hpc/bm-lapack"
+#      "containerimage.digest": "sha256:778a87878eu601591c785db038e5899d68d5fb89e07d66d9efbe8f352ee48",
+#      "...": ""
 #    }
 #  }
 #
 # Example output (real output is on one line):
 #
 # images={
-#   "QC_BASE_IMAGE": "ghcr.io/containers4hpc/base@sha256:8e57a52b924b67567314b8ed3c968859cad99ea13521e60bbef40457e16f391d",
-#   "QC_FULL_STACK_IMAGE": "ghcr.io/containers4hpc/full-stack@sha256:85ee91f61be1ea601591c785db038e5899d68d5fb89e07d66d9efbe8f352ee48",
+#   "BM_IMAGE": "ghcr.io/cnts4sci/bm@sha256:8e57a52b924b67567314b8ed3c968859cad99ea13521e60bbef40457e16f391d",
+#   "BM_OPENMPI_IMAGE": "ghcr.io/cnts4sci/bm-openmpi@sha256:85ee91f61be1ea601591c785db038e5899d68d5fb89e07d66d9efbe8f352ee48",
+#   "BM_LAPACK_IMAGE": "ghcr.io/cnts4sci/bm-lapack@sha256:85ee91f61be1ea601591c785db038e5899d68d5fb89e07d66d9efbe8f352ee48",
 # }
 #
 # This json output is later turned to environment variables using fromJson() GHA builtin

.github/workflows/main.yml

@@ -37,7 +37,7 @@ jobs:
         strategy:
             fail-fast: false
             matrix:
-                target: ["qc-base", "qc-full-stack"]
+                target: ["bm", "bm-openmpi", "bm-lapack"]
         uses: ./.github/workflows/test.yml
         with:
             runsOn: ubuntu-22.04
@@ -56,7 +56,7 @@ jobs:
     # and only for full-stack image (same for integration tests below).
     test-arm64:
         if: >-
-            github.repository == 'containers4hpc/quantum-container'
+            github.repository == 'cnts4sci/build-machine'
             && (github.ref_type == 'tag' || github.ref_name == 'main')
         needs: build
         uses: ./.github/workflows/test.yml

.github/workflows/publish.yml

@@ -29,7 +29,7 @@ jobs:
         strategy:
             fail-fast: true
             matrix:
-                target: ["qc-base", "qc-full-stack"]
+                target: ["bm", "bm-openmpi", "bm-lapack"]
 
         steps:
             - uses: actions/checkout@v4
@@ -60,7 +60,7 @@ jobs:
               uses: docker/metadata-action@v5
               env: ${{ fromJSON(steps.build_vars.outputs.vars) }}
               with:
-                  # e.g. ghcr.io/containers4hpc/qc-full-stack
+                  # e.g. ghcr.io/cnts4sci/bm
                   # type=raw,value=python-${{ env.PYTHON_VERSION }},enable=${{ github.ref_type == 'tag' && startsWith(github.ref_name, 'v') }}
                   images: ${{ inputs.registry }}/${{ github.repository_owner }}/${{ matrix.target }}
                   tags: |

.github/workflows/test.yml

@@ -40,11 +40,3 @@ jobs:
                   username: ${{ github.actor }}
                   password: ${{ secrets.GITHUB_TOKEN }}
 
-            - name: Install dependencies 📦
-              run: |
-                  pip install -r requirements.txt
-                  pip freeze
-
-            # - name: Run tests
-            #   run: pytest -m "${{ inputs.integration && 'integration' || 'not integration' }}" --target ${{inputs.target}}
-            #   env: ${{ fromJSON(inputs.images) }}

README.md

@@ -9,3 +9,4 @@ In the image, we provide as much as possible the regular math libraries as we ca
 - Libxc
 - ..??
 
+## Document on where to find which libraries *TODO

build-machine/Dockerfile

@@ -0,0 +1,19 @@
+# syntax=docker/dockerfile:1
+FROM base-image
+
+# Build toolchains
+RUN apt-get update && apt-get install -y \
+    build-essential \
+    wget \
+    curl \
+    gcc \
+    g++ \
+    make \
+    libtool \
+    autoconf \
+    automake \
+    gfortran \
+    bzip2 \
+    tar \
+    git && \
+    rm -rf /var/lib/apt/lists/*

build.json

@@ -2,6 +2,9 @@
   "variable": {
     "OPENMPI_VERSION": {
       "default": "4.1.6"
+    },
+    "LAPACK_VERSION": {
+      "default": "3.10.1"
     }
   }
 }

docker-bake.hcl

@@ -14,20 +14,19 @@ variable "PLATFORMS" {
   default = ["linux/amd64"]
 }
 
-variable "BASE_IMAGE" {
-  default = "ubuntu:20.04"
-}
-
-variable "RUNTIME_BASE_IMAGE" {
+variable "SYSTEM_BASE_IMAGE" {
   default = "ubuntu:20.04"
 }
 
 variable "TARGETS" {
-  default = ["openmpi"]
+  default = ["openmpi", "lapack"]
 }
 
 # TAGS for softwares
 variable "OPENMPI_VERSION" {
+
+}
+variable "LAPACK_VERSION" {
 }
 
 function "tags" {
@@ -41,14 +40,36 @@ group "default" {
   targets = "${TARGETS}"
 }
 
+target "build-machine" {
+  tags = tags("bm")
+  context = "build-machine"
+  contexts = {
+      base-image = "docker-image://${SYSTEM_BASE_IMAGE}"
+  }
+  platforms = "${PLATFORMS}"
+}
+
 target "openmpi" {
-  tags = tags("openmpi")
+  tags = tags("bm-openmpi")
   context = "openmpi"
+  contexts = {
+    base-image = "target:build-machine"
+  }
   platforms = "${PLATFORMS}"
   args = {
-    BASE_IMAGE = "${BASE_IMAGE}" 
-    RUNTIME_BASE_IMAGE = "${RUNTIME_BASE_IMAGE}"
     OPENMPI_VERSION = "${OPENMPI_VERSION}"
   }
 }
 
+target "lapack" {
+  tags = tags("bm-lapack")
+  context = "lapack"
+  contexts = {
+    base-image = "target:build-machine"
+  }
+  platforms = "${PLATFORMS}"
+  args = {
+    LAPACK_VERSION = "${LAPACK_VERSION}"
+  }
+}
+

lapack/Dockerfile

@@ -0,0 +1,18 @@
+# syntax=docker/dockerfile:1
+
+# Compile Lapack
+FROM base-image AS lapack-builder
+
+WORKDIR /lapack-build
+ARG LAPACK_VERSION
+
+RUN wget -c -O lapack.tar.gz https://github.com/Reference-LAPACK/lapack/archive/refs/tags/v${LAPACK_VERSION}.tar.gz && \
+    mkdir -p lapack && \
+    tar xf lapack.tar.gz -C lapack --strip-components=1 && \
+    cd lapack && \
+    cp INSTALL/make.inc.gfortran make.inc && \
+    make lapacklib blaslib && \
+    mkdir -p /usr/local/lapack/lib && \
+    cp *.a /usr/local/lapack/lib && \
+    rm -rf /lapack-build
+

openmpi/Dockerfile

@@ -1,87 +1,18 @@
 # syntax=docker/dockerfile:1
 
-ARG BASE_IMAGE
-ARG RUNTIME_BASE_IMAGE
-
-FROM ${BASE_IMAGE} AS toolchain-builder
+# Compile openMPI
+FROM base-image AS openmpi-builder
 
 WORKDIR /openmpi-build
+ARG OPENMPI_VERSION
 
-# Build toolchains
-RUN apt-get update && apt-get install -y \
-    build-essential \
-    wget \
-    curl \
-    gcc \
-    g++ \
-    make \
-    libtool \
-    autoconf \
-    automake \
-    gfortran \
-    bzip2 \
-    tar \
-    git && \
-    rm -rf /var/lib/apt/lists/*
-
-RUN wget -c -O openmpi.tar.gz https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-4.1.6.tar.gz && \
+# TODO: v4.1 -< OPENMPI_MAJOR_MINOR_VERSION
+RUN wget -c -O openmpi.tar.gz https://download.open-mpi.org/release/open-mpi/v4.1/openmpi-${OPENMPI_VERSION}.tar.gz && \
     mkdir -p openmpi && \
     tar xf openmpi.tar.gz -C openmpi --strip-components=1 && \
     cd openmpi && \
     ./configure --prefix=/opt/openmpi --enable-static --disable-shared && \
     make -j$(nproc) && \
-    make install
-
-# Compile Lapack
-WORKDIR /lapack-build
-ARG LAPACK_VERSION="3.10.1"
-
-RUN wget -c -O lapack.tar.gz https://github.com/Reference-LAPACK/lapack/archive/refs/tags/v${LAPACK_VERSION}.tar.gz && \
-    mkdir -p lapack && \
-    tar xf lapack.tar.gz -C lapack --strip-components=1 && \
-    cd lapack && \
-    cp INSTALL/make.inc.gfortran make.inc && \
-    make lapacklib blaslib && \
-    mkdir -p /usr/local/lapack/lib && \
-    cp *.a /usr/local/lapack/lib
-
-# As build-machine image, it is not actually a runtime
-# but I do the runtime multi-stage build to minimize the size
-# and for testing the integrity of the openmpi/lapack... static build and move
-FROM ${RUNTIME_BASE_IMAGE}
-
-# Copy build toolchains from the builder stage
-COPY --from=toolchain-builder /opt/openmpi /opt/openmpi
-COPY --from=toolchain-builder /usr/local/lapack /usr/local/lapack
-
-RUN apt-get update && apt-get install -y \
-    build-essential \
-    wget \
-    curl \
-    gcc \
-    g++ \
-    make \
-    libtool \
-    autoconf \
-    automake \
-    gfortran \
-    bzip2 \
-    tar \
-    git && \
-    rm -rf /var/lib/apt/lists/*
-
-# Set up environment variables for OpenMPI
-ENV PATH="/opt/openmpi/bin:$PATH"
-ENV LD_LIBRARY_PATH="/opt/openmpi/lib:$LD_LIBRARY_PATH"
-
-# Compile QE (for test only)
-ARG QE_VERSION="7.0"
-
-RUN wget -c -O qe.tar.gz https://gitlab.com/QEF/q-e/-/archive/qe-${QE_VERSION}/q-e-qe-${QE_VERSION}.tar.gz && \
-    mkdir -p qe && \
-    tar xf qe.tar.gz -C qe --strip-components=1 && \
-    cd qe && \
-    LAPACK_LIBS=/usr/local/lapack/lib/liblapack.a BLAS_LIBS=/usr/local/lapack/lib/librefblas.a ./configure -enable-static && \
-    make -j8 pw && \
-    make install
+    make install && \
+    rm -rf /openmpi-build