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Fixes in Fortran interface #867

Fixes in Fortran interface

Fixes in Fortran interface #867

Workflow file for this run

name: test-build
on:
push:
pull_request:
permissions:
contents: read
jobs:
standard:
runs-on: ubuntu-latest
name: Standard
steps:
- uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
- name: Install dependencies
run: sudo apt-get install emacs autoconf libhdf5-dev
- name: Install the latest TREXIO from the GitHub clone
run: |
git clone https://github.com/TREX-CoE/trexio.git
cd trexio
./autogen.sh
./configure --prefix=/usr
make -j 4
sudo make install
- name: Build QMCkl
run: |
./autogen.sh
mkdir _build
cd _build
../configure --enable-silent-rules --enable-python
make -j 4
sudo make install
- name: Run test
run: make -j 4 check
working-directory: _build
- name: Archive test log file
if: failure()
uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2
with:
name: test-report-ubuntu
path: test-suite.log
- name: Dist test
run: make distcheck
working-directory: _build
- name: Setup the virtual environment
run: |
python3 -m venv --clear pyqmckl
source pyqmckl/bin/activate
- name: Install the Python requirements
run: pip install -r requirements.txt
working-directory: python
- name: Install the Python API
run: make python-install
working-directory: _build
- name: Test the Python API
run: make python-test
working-directory: _build
debug:
runs-on: ubuntu-latest
name: Debug
steps:
- uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
- name: Install dependencies
run: sudo apt-get install emacs autoconf libhdf5-dev
- name: Install the latest TREXIO from the GitHub clone
run: |
git clone https://github.com/TREX-CoE/trexio.git
cd trexio
./autogen.sh
./configure --prefix=/usr
make -j 4
sudo make install
- name: Build QMCkl in debug mode
run: |
./autogen.sh
mkdir _build_debug
cd _build_debug
../configure --enable-debug --enable-silent-rules
make -j2
- name: Run test
run: make -j2 check
working-directory: _build_debug
- name: Archive test log file
if: failure()
uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2
with:
name: test-report-ubuntu-debug
path: _build_debug/test-suite.log
hpc:
runs-on: ubuntu-latest
name: HPC
steps:
- uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
- name: Install dependencies
run: sudo apt-get install emacs autoconf libhdf5-dev
- name: Install the latest TREXIO from the GitHub clone
run: |
git clone https://github.com/TREX-CoE/trexio.git
cd trexio
./autogen.sh
./configure --prefix=/usr
make -j 4
sudo make install
- name: Compile QMCkl in HPC mode
run: |
./autogen.sh
mkdir _build_hpc
cd _build_hpc
../configure --enable-hpc
make -j2
- name: Run test
run: make -j2 check
working-directory: _build_hpc
- name: Archive test log file
if: failure()
uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2
with:
name: test-report-ubuntu-debug
path: _build_hpc/test-suite.log
# x86_macos:
#
# runs-on: macos-latest
# name: x86 MacOS latest
#
# steps:
# - uses: actions/checkout@e2f20e631ae6d7dd3b768f56a5d2af784dd54791
# - name: install dependencies
# run: brew install emacs hdf5 automake pkg-config
#
# - name: Symlink gfortran (macOS)
# if: runner.os == 'macOS'
# run: |
# # make sure gfortran is available
# # https://github.com/actions/virtual-environments/issues/2524
# # https://github.com/cbg-ethz/dce/blob/master/.github/workflows/pkgdown.yaml
# sudo ln -s /usr/local/bin/gfortran-10 /usr/local/bin/gfortran
# sudo mkdir /usr/local/gfortran
# sudo ln -s /usr/local/Cellar/gcc@10/*/lib/gcc/10 /usr/local/gfortran/lib
# gfortran --version
#
# - name: Install the latest TREXIO from the GitHub clone
# run: |
# git clone https://github.com/TREX-CoE/trexio.git
# cd trexio
# ./autogen.sh
# ./configure --prefix=${PWD}/_install --enable-silent-rules
# make -j 4
# make install
#
# - name: Test TREXIO
# run: make -j 4 check
# working-directory: trexio
#
# - name: Archive TREXIO test log file
# if: failure()
# uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2
# with:
# name: test-report-trexio-macos
# path: trexio/test-suite.log
#
# - name: Build QMCkl
# run: |
# export PKG_CONFIG_PATH=${PWD}/trexio/_install/lib/pkgconfig:$PKG_CONFIG_PATH
# ./autogen.sh
# ./configure CC=gcc-10 FC=gfortran-10 --enable-silent-rules
# make -j 4
#
# - name: Run test
# run: make -j 4 check
#
# - name: Archive test log file
# if: failure()
# uses: actions/upload-artifact@82c141cc518b40d92cc801eee768e7aafc9c2fa2
# with:
# name: test-report-macos
# path: test-suite.log