update everything

Author: IAlibay

.github/workflows/ci.yaml

@@ -37,7 +37,8 @@ jobs:
       - name: "Setup Micromamba"
         uses: mamba-org/setup-micromamba@v2
         with:
-          environment-name: mdrg_env
+          environment-file: environment.yaml
+          environment-name: mdrg
           create-args: >-
             python=${{ matrix.python-version }}
           init-shell: bash
@@ -58,6 +59,10 @@ jobs:
         run: |
           python -m pip install . --no-deps
 
+      - name: version
+        run: |
+          python -Ic "import MDRestraintsGenerator; print(MDRestraintsGenerator.__version__)"
+
       - name: run_tests
         run: |
           pytest -n auto -v --cov=MDRestraintsGenerator --cov-report=xml MDRestraintsGenerator/tests/

.lgtm.yml

@@ -2,13 +2,6 @@
 MDRestraintsGenerator
 A framework for generating restraints for MD simulations
 """
-
-# Add imports here
-# from .restraints import *
-
-# Handle versioneer
-from ._version import get_versions
-versions = get_versions()
-__version__ = versions['version']
-__git_revision__ = versions['full-revisionid']
-del get_versions, versions
+# Handle version
+from importlib.metadata import version
+__version__ = version("MDRestraintsGenerator")