MineralsCloud
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diff --git a/‎qha/calculator.py renamed to ‎src/qha/calculator.py b/‎qha/calculator.py renamed to ‎src/qha/calculator.py
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diff --git a/‎qha/fitting.py renamed to ‎src/qha/fitting.py b/‎qha/fitting.py renamed to ‎src/qha/fitting.py
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diff --git a/‎qha/multi_configurations/different_phonon_dos.py renamed to ‎src/qha/multi_configurations/different_phonon_dos.py b/‎qha/multi_configurations/different_phonon_dos.py renamed to ‎src/qha/multi_configurations/different_phonon_dos.py
diff --git a/‎qha/multi_configurations/same_phonon_dos.py renamed to ‎src/qha/multi_configurations/same_phonon_dos.py b/‎qha/multi_configurations/same_phonon_dos.py renamed to ‎src/qha/multi_configurations/same_phonon_dos.py
diff --git a/‎qha/plotting.py renamed to ‎src/qha/plotting.py b/‎qha/plotting.py renamed to ‎src/qha/plotting.py
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diff --git a/‎qha/tools.py renamed to ‎src/qha/tools.py b/‎qha/tools.py renamed to ‎src/qha/tools.py
diff --git a/‎qha/type_aliases.py renamed to ‎src/qha/type_aliases.py b/‎qha/type_aliases.py renamed to ‎src/qha/type_aliases.py
diff --git a/‎qha/unit_conversion.py renamed to ‎src/qha/unit_conversion.py b/‎qha/unit_conversion.py renamed to ‎src/qha/unit_conversion.py
diff --git a/‎qha/v2p.py renamed to ‎src/qha/v2p.py b/‎qha/v2p.py renamed to ‎src/qha/v2p.py
diff --git a/‎tests/__init__.py b/‎tests/__init__.py
diff --git a/‎qha/tests/test_different_phonon_dos.py renamed to ‎tests/test_different_phonon_dos.py b/‎qha/tests/test_different_phonon_dos.py renamed to ‎tests/test_different_phonon_dos.py
diff --git a/‎qha/tests/test_overall_run.py renamed to ‎tests/test_overall_run.py b/‎qha/tests/test_overall_run.py renamed to ‎tests/test_overall_run.py
diff --git a/‎qha/tests/test_read_input.py renamed to ‎tests/test_read_input.py b/‎qha/tests/test_read_input.py renamed to ‎tests/test_read_input.py
diff --git a/‎qha/tests/test_samevdos_overall.py renamed to ‎tests/test_samevdos_overall.py b/‎qha/tests/test_samevdos_overall.py renamed to ‎tests/test_samevdos_overall.py
diff --git a/‎qha/tests/test_single_configuration.py renamed to ‎tests/test_single_configuration.py b/‎qha/tests/test_single_configuration.py renamed to ‎tests/test_single_configuration.py
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@@ -0,0 +1,27 @@
+[project]
+name = "qha"
+version = "1.1.0"
+description = "A powerful tool for quasi-harmonic approximation"
+authors = [
+    {name = "Qi Zhang", email = "singularitti@outlook.com"},
+]
+dependencies = [
+    "lazy-property>=0.0.1",
+    "mpmath>=1.3.0",
+    "pandas>=2.1.4",
+    "scientific-string>=0.1.0",
+    "scipy>=1.11.4",
+    "text-stream>=0.2.0",
+    "pyyaml>=6.0.1",
+    "matplotlib>=3.8.2",
+]
+requires-python = ">=3.11"
+readme = "README.md"
+license = {text = "GNU General Public License 3"}
+
+[build-system]
+requires = ["pdm-backend"]
+build-backend = "pdm.backend"
+
+[tool.pdm]
+package-type = "library"