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All-electron Jastrow fixed #287

All-electron Jastrow fixed

All-electron Jastrow fixed #287

# This workflow will be executed when master is updated:
# it will run the configured tests and upload the results on vfc_ci_master.
name: "Verificarlo CI (master)"
on:
# Triggers the workflow when master is updated
push:
branches: [ master ]
workflow_dispatch:
permissions:
contents: read
jobs:
run_verificarlo_tests:
runs-on: ubuntu-latest
container: verificarlo/verificarlo
permissions:
contents: write
steps:
- uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
with:
fetch-depth: 0
- name: Install dependencies
run: |
ln -s /usr/bin/python3 /usr/bin/python
apt update
apt -y install emacs pkg-config wget libhdf5-dev libblas-dev liblapack-dev
- name: Install trexio
run: |
export VERSION=2.1.0
wget https://github.com/TREX-CoE/trexio/releases/download/v${VERSION}/trexio-${VERSION}.tar.gz
tar -zxf trexio-${VERSION}.tar.gz
cd trexio-${VERSION}
./configure --prefix=/usr CC="gcc-7" FC="gfortran-7"
# modify LDFLAGS to include -lhdf5_hl because autoconf sometime fails to detect the HL component
make LDFLAGS="-L/usr/lib/x86_64-linux-gnu/hdf5/serial -lhdf5_hl"
make install
- name: Run tests
run: |
git config --global --add safe.directory "$GITHUB_WORKSPACE"
vfc_ci test -g -r
- name: Commit test results
run: |
git_hash=$(git rev-parse --short "$GITHUB_SHA")
git config --local user.email "action@github.com"
git config --local user.name "GitHub Action"
git checkout vfc_ci_master
mkdir -p vfcruns
mv *.vfcrun.h5 vfcruns
git add vfcruns/*
git commit -m "[auto] New test results for commit ${git_hash}"
git push
- name: Upload raw results as artifacts
uses: actions/upload-artifact@v4
with:
name: ${{github.sha}}.vfcraw
path: ./*.vfcraw.h5