adding some more options

plumed · Aug 29, 2024 · 2719e18 · 2719e18
1 parent 393d28a
commit 2719e18
Show file tree

Hide file tree

Showing 3 changed files with 67 additions and 41 deletions.
diff --git a/.github/workflows/test.yaml b/.github/workflows/test.yaml
@@ -10,9 +10,12 @@ jobs:
     runs-on: ubuntu-latest
 
     steps:
-    - uses: Iximiel/install-plumed@main
+    - name : install plumed
+      uses: Iximiel/install-plumed@main
+      id: plumed
     - name: run plumed
       run: |
+        echo ${{ steps.plumed.outputs.path }}
         plumed --version
         
   test_Stable:

diff --git a/action.yaml b/action.yaml
@@ -17,26 +17,52 @@ inputs:
     description: 'Suffix for the program name'
     required: false
     default: ''
-# outputs:
-#   random-number:
-#     description: "Random number"
-#     value: ${{ steps.random-number-generator.outputs.random-number }}
+  prefix:
+    description: 'The installation prefix'
+    required: false
+    default: '~/opt/'
+  extra_options:
+    description: 'Extra options for installing plumed'
+    required: false
+    default: '--enable-boost_serialization --enable-fftw --enable-libtorch'
+  modules:
+    description: 'List of modules to install, or "all"'
+    required: false
+    default: 'all'
+  CC:
+    description: 'C compiler'
+    required: false
+    default: 'gcc'
+  CXX:
+    description: 'C++ compiler'
+    required: false
+    default: 'g++'
+outputs:
+  path:
+    description: "Plumed executable path"
+    value: ${{ steps.installation.outputs.plumed_path }}
 runs:
   using: "composite"
   steps:
-    - name: Set up environment
-      shell: bash
-      run: |
-        sudo apt update
-        sudo apt install mpi-default-bin mpi-default-dev
-        sudo apt install libfftw3-dev gsl-bin libgsl0-dev libboost-serialization-dev
-        sudo apt install ccache
-        sudo apt-get update
+    # - name: Set up environment
+    #   shell: bash
+    #   run: |
+    #     sudo apt update
+    #     sudo apt install mpi-default-bin mpi-default-dev
+    #     sudo apt install libfftw3-dev gsl-bin libgsl0-dev libboost-serialization-dev
+    #     sudo apt install ccache
+    #     sudo apt-get update
     - name: Install plumed
+      id: installation
       run: $GITHUB_ACTION_PATH/install-plumed.sh
       shell: bash
       env:
         REPO: ${{ inputs.repository }}
         VERSION: ${{ inputs.version }}
         PROGRAM_NAME: ${{ inputs.program_name }}
-        SUFFIX: ${{ inputs.suffix }}
+        SUFFIX: ${{ inputs.suffix }}
+        PREFIX: ${{ inputs.prefix }}
+        EXTRA_OPTIONS: ${{ inputs.extra_options }}
+        MODULES: ${{ inputs.modules }}
+        CC: ${{ inputs.CC }}
+        CXX: ${{ inputs.CXX }}
diff --git a/install-plumed.sh b/install-plumed.sh
@@ -1,31 +1,13 @@
-#!/bin/bash
 #! /bin/bash
 
-set -e
-set -x
-
 cat <<EOF
-SUFFIX="$SUFFIX"
-VERSION="$VERSION"
 REPO="$REPO"
+VERSION="$VERSION"
 PROGRAM_NAME="$PROGRAM_NAME"
+SUFFIX="$SUFFIX"
+PREFIX="$PREFIX"
 EOF
 
-# for opt; do
-#     case "$opt" in
-#     version=*) version="${opt#version=}" ;;
-#     suffix=*)
-#         suffix="--program-suffix=${opt#suffix=}"
-#         program_name="plumed${opt#suffix=}"
-#         ;;
-#     REPO=*) REPO="${opt#REPO=}" ;;
-#     *)
-#         echo "unknown option $opt"
-#         exit 1
-#         ;;
-#     esac
-# done
-
 cd "$(mktemp -dt plumed.XXXXXX)" || {
     echo "Failed to create tempdir"
     exit 1
@@ -43,6 +25,18 @@ else
     echo "installing latest stable plumed $VERSION"
 fi
 
+plumed_options="$EXTRA_OPTIONS"
+if [[ -n "$SUFFIX" ]]; then
+    plumed_options="$plumed_options --program-suffix=\"$SUFFIX\""
+fi
+
+if [[ -n "$PREFIX" ]]; then
+    plumed_options="$plumed_options --prefix=\"$PREFIX\""
+fi
+if [[ -n "$MODULES" ]]; then
+    plumed_options="$plumed_options --enable-modules=$MODULES"
+fi
+
 #cheking out to $VERSION before compiling the dependency json for this $VERSION
 git checkout $VERSION
 
@@ -84,22 +78,25 @@ hash=$(git rev-parse HEAD)
 if [[ -f $HOME/opt/lib/$PROGRAM_NAME/$hash ]]; then
     echo "ALREADY AVAILABLE, NO NEED TO REINSTALL"
 else
+    #remove the conflicting old installation
+    rm -fr "$PREFIX/lib/$PROGRAM_NAME"
+    rm -fr "$PREFIX/opt/bin/$PROGRAM_NAME"
+    rm -fr "$PREFIX/opt/include/$PROGRAM_NAME"
+    rm -fr "$PREFIX"/opt/lib/lib$PROGRAM_NAME.so*
 
-    rm -fr "$HOME/opt/lib/$PROGRAM_NAME"
-    rm -fr "$HOME/opt/bin/$PROGRAM_NAME"
-    rm -fr "$HOME/opt/include/$PROGRAM_NAME"
-    rm -fr "$HOME"/opt/lib/lib$PROGRAM_NAME.so*
     cat <<EOF
     ./configure --prefix="$HOME/opt" \
         --enable-modules=all \
         --enable-boost_serialization \
-        --enable-fftw $SUFFIX \
+        --enable-fftw --program-suffix=$SUFFIX \
         --enable-libtorch LDFLAGS=-Wl,-rpath,$LD_LIBRARY_PATH
 
-
+./configure $plumed_options LDFLAGS=-Wl,-rpath,$LD_LIBRARY_PATH
     make -j 5
     make install
 
     touch "$HOME/opt/lib/$PROGRAM_NAME/$hash"
 EOF
 fi
+
+echo "plumed_path=${PREFIX}/bin" >>$GITHUB_OUTPUT