Merge pull request #206 from iomega/add_environment.yml

Set maximum ms2deepscore version

.github/workflows/CI_build.yml

@@ -99,4 +99,28 @@ jobs:
           pip list
       - name: Run tests
         run: |
-          pytest -m "integration"
+          pytest -m "integration"
+  yml_checks:
+    name: envionment.yml checks / python-${{ matrix.python-version }} / ${{ matrix.os }}
+    defaults:
+      run:
+        shell: bash -l {0}
+    runs-on: 'ubuntu-latest'
+    steps:
+      - uses: actions/checkout@v2
+      - name: Set up Miniconda
+        uses: conda-incubator/setup-miniconda@v2
+        with:
+          activate-environment: ms2query
+          environment-file: ./environment.yml
+          python-version: 3.8
+      - name: activate conda environment
+        run: |
+          conda activate ms2query
+      - name: Show conda list
+        run: |
+          conda info
+          conda list
+      - name: Run tests
+        run: |
+          pytest -m "not integration"

CHANGELOG.md

@@ -5,6 +5,10 @@ All notable changes to this project will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## unpublished
+### Added
+- environment.yml and CI_build test fur building a conda env from this file
+
 ## 1.2.2
 ### fixed
 - Set version of matchmsextras to 0.4.0, to fix dependency issue