Dependencies: Restrict dependency version requirements

Packages that have a major release of v1 or higher are expected to
maintain semantic versioning and so packages are pinned to the major
version. Packages that haven't seen a v1 release yet, are pinned to the
minor version instead, as they are more likely to break backwards
compatibility in minor releases.

Author: sphuber

pyproject.toml

@@ -23,17 +23,17 @@ requires-python = '>=3.8,<3.10'
 dependencies = [
     'abipy==0.9.6',
     'aiida-abinit~=0.4.0',
-    'aiida-bigdft>=0.2.6',
-    'aiida-castep>=1.2.0a5',
+    'aiida-bigdft~=0.2.6',
+    'aiida-castep~=1.2',
     'aiida-core[atomic_tools]~=1.6',
     'aiida-cp2k~=1.6',
-    'aiida-fleur>=1.3.0',
+    'aiida-fleur~=1.3',
     'aiida-gaussian',
-    'aiida-nwchem>=2.1.0',
+    'aiida-nwchem~=2.1',
     'aiida-orca',
     'aiida-pseudo==0.6.5',
     'aiida-quantumespresso~=3.4,>=3.4.1',
-    'aiida-siesta>=1.2.0',
+    'aiida-siesta~=1.2',
     'aiida-vasp~=2.2',
     'aiida-wien2k~=0.1.1',
     'aiida-ase',