Repository: MDAnalysis/membrane-curvature (language: python)

Issue:
Version of MDA in `setup.py`
@ojeda-e 
Because it's relying on the `Results` class, could you raise an issue as a reminder that MDA should get pinned to >=2.0.0 in `setup.py`? (I wouldn't do it now, but it'd be a good thing to do before the first release)

_Originally posted by @IAlibay in https://github.com/MDAnalysis/membrane-curvature/pull/43#discussion_r667237549_
MDA>=2.0.0 version added to `install_requires`
This PR fixes #46 

- [x] In `setup.py`, three packages were added to install requires:
- 'numpy>=1.20.2',
- 'mdanalysis>=2.0.0',
- 'mdanalysistests>=2.0.0'.


- [x] For NumPy:
- Check if installed.
- Check `Python>=3.6`

@IAlibay, would you please confirm no more changes are needed here at the moment?


Discussion / hints:

Fix patch:
diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml
index dd34bf1..1aecd03 100644
--- a/.github/workflows/CI.yaml
+++ b/.github/workflows/CI.yaml
@@ -17,18 +17,25 @@ concurrency:
   group: "${{ github.ref }}-${{ github.head_ref }}"
   cancel-in-progress: true
 
+
 jobs:
   test:
-    name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
+    name: "Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}"
     runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
       matrix:
         os: [macOS-latest, ubuntu-latest, windows-latest]
         python-version: [3.7, 3.8, 3.9]
+        env_file: [env, ]
+        include:
+          - name: minimum_requirements
+            os: ubuntu-latest
+            python-version: 3.6
+            env_file: min
 
     steps:
-    - uses: actions/checkout@v1
+    - uses: actions/checkout@v2
 
     - name: Additional info about the build
       shell: bash
@@ -37,34 +44,28 @@ jobs:
         df -h
         ulimit -a
 
-
     # More info on options: https://github.com/conda-incubator/setup-miniconda
+    # An environment for the minimum versions 
     - uses: conda-incubator/setup-miniconda@v2
       with:
         python-version: ${{ matrix.python-version }}
-        environment-file: devtools/conda-envs/test_env.yaml
-        # mamba-version: "*"
+        environment-file: devtools/conda-envs/test_${{ matrix.env_file }}.yaml
         channels: conda-forge, defaults
-
         activate-environment: test
         auto-update-conda: false
         auto-activate-base: false
         show-channel-urls: true
-
+    
     - name: Install package
-
       # conda setup requires this special shell
       shell: bash -l {0}
       run: |
         python -m pip install . --no-deps
         conda list
 
-
     - name: Run tests
-
       # conda setup requires this special shell
       shell: bash -l {0}
-
       run: |
         pytest -v --cov=membrane_curvature --cov-report=xml --color=yes membrane_curvature/tests/
 
@@ -74,3 +75,5 @@ jobs:
         file: ./coverage.xml
         flags: unittests
         name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}
+        fail_ci_if_error: True
+
diff --git a/setup.py b/setup.py
index cfa1629..3b7d5a7 100644
--- a/setup.py
+++ b/setup.py
@@ -1,6 +1,6 @@
 """
-
-MDAkit for Membrane Curvature
+MembraneCurvature MDAkit
+A tool to calculate Membrane Curvature
 """
 import sys
 from setuptools import setup, find_packages
@@ -46,12 +46,20 @@
 
     # Additional entries you may want simply uncomment the lines you want and fill in the data
     # url='http://www.my_package.com',  # Website
-    # install_requires=[],              # Required packages, pulls from pip if needed; do not use for Conda deployment
+    install_requires=[
+        'numpy>=1.16.0',
+        'mdanalysis>=2.0.0b0',
+    ],
+
+    # packages required to run tests
+    tests_require=[
+        'pytest',
+    ],
     # platforms=['Linux',
     #            'Mac OS-X',
     #            'Unix',
     #            'Windows'],            # Valid platforms your code works on, adjust to your flavor
-    # python_requires=">=3.5",          # Python version restrictions
+    python_requires=">=3.6",          # Python version restrictions
 
     # Manual control if final package is compressible or not, set False to prevent the .egg from being made
     # zip_safe=False,


Test patch:
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index cf74e87..c89ab14 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -15,4 +15,3 @@ dependencies:
     # Pip-only installs
   - pip:
     - MDAnalysis==2.0.0b0
-
diff --git a/devtools/conda-envs/test_min.yaml b/devtools/conda-envs/test_min.yaml
new file mode 100644
index 0000000..a3fe95e
--- /dev/null
+++ b/devtools/conda-envs/test_min.yaml
@@ -0,0 +1,17 @@
+name: test
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  - python
+  - pip
+  - numpy==1.16.0
+  - sphinx
+     # Testing
+  - pytest
+  - pytest-cov
+  - codecov
+
+    # Pip-only installs
+  - pip:
+    - MDAnalysis==2.0.0b0