Minor fixes and version specification

.github/workflows/test.yaml

@@ -38,7 +38,7 @@ jobs:
       - name: Run tests
         run: |
           cd tests
-          poetry run python -m pytest --cov=../glyles/ --cov-report=xml -m "not todo and not slow"
+          poetry run python -m pytest --cov=../glyles/ --cov-report=xml -m "not todo"
       - name: Upload coverage to Codecov
         uses: codecov/codecov-action@v3
         with:

glyles/__main__.py

@@ -1,10 +1,9 @@
 import os
 import sys
 import argparse
-import pkg_resources
-
 
 from glyles import convert
+from glyles.version import __version__
 
 
 def parse_args(args):
@@ -40,7 +39,7 @@ def parse_args(args):
         "-v",
         "--version",
         action="version",
-        version=f"%(prog)s {pkg_resources.get_distribution('glyles').version}"
+        version=f"%(prog)s {__version__}"
     )
     return vars(parser.parse_args(args))
 

glyles/version.py

@@ -0,0 +1 @@
+__version__ = "1.0.0"

pyproject.toml

@@ -1,13 +1,15 @@
 [tool.poetry]
 name = "glyles"
-version = "0.5.11"
+version = "1.0.0"
 repository = "https://github.com/kalininalab/GlyLES"
 readme = "README.md"
 description = "A tool to convert IUPAC representation of glycans into SMILES strings"
 authors = ["Roman Joeres <roman.joeres@helmholtz-hips.de>"]
 classifiers = [
-    "Development Status :: 3 - Alpha",
-    "Operating System :: OS Independent"
+    "Development Status :: 5 - Production/Stable",
+    "Operating System :: OS Independent",
+    "License :: OSI Approved :: MIT License",
+    "Programming Language :: Python :: 3",
 ]
 
 [tool.poetry.dependencies]

tests/test_derivatives.py

@@ -23,7 +23,6 @@ def compare_smiles(computed, solution):
 
 
 class TestDerivatives:
-    @pytest.mark.slow
     @pytest.mark.parametrize(
         "line",
         open("data/anhydro.tsv", "r").readlines() +
@@ -41,7 +40,6 @@ def test_smiles_databases(self, line):
         iupac, smiles = line.split("\t")[:2]
         compare_smiles(Glycan(iupac).get_smiles(), smiles)
 
-    @pytest.mark.slow
     @pytest.mark.parametrize("line", open("data/glycowork.txt", "r").readlines())
     def test_iupac_databases(self, line):
         if '0dHex' in line or 'en' in line or 'Ins' in line: