added pymatgen minimum dependencies

wolearyc · Oct 1, 2024 · b57e4d4 · b57e4d4
1 parent 082c251
commit b57e4d4
Show file tree

Hide file tree

Showing 3 changed files with 22 additions and 2 deletions.
diff --git a/= b/=
diff --git a/deps/pymatgen_requirements.txt b/deps/pymatgen_requirements.txt
@@ -1 +1,11 @@
-pymatgen == 2024.9.17.1 # temporarily fixed for development
+matplotlib >= 3.7.0 # min recommended
+pandas >= 2.0.0 # min recommended
+pillow >= 8.3.2 # min recommended
+pymatgen >= 2022.2.10;python_version=='3.10' # min recommended
+pymatgen >= 2022.2.10;python_version=='3.11' # min recommended
+pymatgen >= 2022.2.10;python_version=='3.12' # min recommended
+pyparsing >= 3.0.0 # min working
+ruamel-yaml >= 0.17.2
+sympy >= 1.10;python_version=='3.10' # min working
+sympy >= 1.11;python_version=='3.11' # min working
+sympy >= 1.13.1;python_version=='3.12' # min working
diff --git a/pyproject.toml b/pyproject.toml
@@ -46,7 +46,17 @@ torch = [
     "torch_geometric >= 2.3.0", # min working
 ]
 pymatgen = [
-    "pymatgen == 2024.9.17.1",
+    "matplotlib >= 3.7.0", # min recommended
+    "pandas >= 2.0.0", # min recommended
+    "pillow >= 8.3.2", # min recommended
+    "pymatgen >= 2022.2.10;python_version=='3.10'", # min recommended
+    "pymatgen >= 2022.2.10;python_version=='3.11'", # min recommended
+    "pymatgen >= 2022.2.10;python_version=='3.12'", # min recommended
+    "pyparsing >= 3.0.0", # min working
+    "ruamel-yaml >= 0.17.2",
+    "sympy >= 1.10;python_version=='3.10'", # min working
+    "sympy >= 1.11;python_version=='3.11'", # min working
+    "sympy >= 1.13.1;python_version=='3.12'", # min working
 ]
 
 [project.urls]