Modified config.yml for CircleCI to troubleshoot

.circleci/config.yml

@@ -8,75 +8,4 @@ jobs:
     environment:
       PYTHON_VERSION: "3.8"
     steps:
-      - checkout
-
-      - run:
-          name: Show the system information and resource limits
-          command: |
-            uname -a
-            df -h
-            ulimit -a
-
-      - run:
-          name: Installing dependencies for GROMACS
-          command: |
-            sudo apt-get update
-            sudo apt install build-essential
-            sudo apt-get install ccache libblas-dev libfftw3-dev liblapack-dev libmpich-dev libxml2-dev mpich ninja-build
-            wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | sudo tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
-            sudo apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main' -y
-            sudo apt install cmake && cmake --version
-
-      - run:
-          name: Install the latest version of GROMACS
-          command: |
-            gcc --version
-            g++ --version 
-            export CC=`which gcc`
-            export CXX=`which g++`
-
-            cd $HOME && mkdir pkgs 
-            git clone https://gitlab.com/gromacs/gromacs.git
-            cd gromacs && mkdir build && cd build
-            cmake .. -DCMAKE_CXX_COMPILER=$CXX -DCMAKE_C_COMPILER=$CC -DCMAKE_INSTALL_PREFIX=$HOME/pkgs
-            make install 
-            source $HOME/pkgs/bin/GMXRC
-            gmx --version
-
-      - run:
-          name: Install the ensemble_md package
-          command: |
-            python3 -m pip install --upgrade pip
-            python3 -m pip install .
-
-      - run:
-          name: Run unit tests
-          command: |
-            source $HOME/pkgs/bin/GMXRC
-            pip3 install pytest
-            pip3 install pytest-mpi
-            pip3 install pytest-cov
-            
-            coverage run -m pytest -vv --disable-pytest-warnings --color=yes ensemble_md/tests
-            mpirun -np 4 coverage run --rcfile setup.cfg -m pytest ensemble_md/tests/test_mpi_func.py --with-mpi -vv --disable-pytest-warnings --color=yes  # this will generate multiple .coverage* files that can be combined
-            coverage combine  # This will combine multiple .coverage* files into a single .coverage file that will be uploaded and reported.
-
-            # Below are some old commands:
-            # pytest -vv --disable-pytest-warnings --cov=ensemble_md --cov-report=xml --color=yes ensemble_md/tests/
-            # COVERAGE_FILE=.coverage_1 pytest -vv --disable-pytest-warnings --cov=ensemble_md --cov-report=xml --color=yes ensemble_md/tests/
-            # COVERAGE_FILE=.coverage_2 mpirun -np 4 pytest -vv --disable-pytest-warnings --cov=ensemble_md --cov-report=xml --color=yes ensemble_md/tests/test_mpi_func.py --with-mpi
-
-      - run:
-          name: CodeCov
-          command: |
-            bash <(curl -s https://codecov.io/bash)
-
-      - store_test_results:
-          path: test-results
-
-workflows:
-  continuous-integration:
-    jobs:
-      - test
-
-
+      - run: echo hello