Merge branch 'master' into 'master'

Added unofficial support for python < 3.11 to biobb packages. Stability not...

See merge request technical-coordination/project-internal/devops/platform/ebrains-spack-builds!375

packages/biobb-analysis/package.py

@@ -20,6 +20,16 @@ class BiobbAnalysis(PythonPackage):
     depends_on('gromacs')
     depends_on('ambertools')
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+        filter_file(
+            "'Programming Language :: Python :: 3.9'",
+            "'Programming Language :: Python :: 3.9',\r\n        "
+            "'Programming Language :: Python :: 3.10'",
+            "setup.py",
+        )
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-chemistry/package.py

@@ -21,6 +21,16 @@ class BiobbChemistry(PythonPackage):
     depends_on('ambertools')
     depends_on('acpype')
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+        filter_file(
+            "'Programming Language :: Python :: 3.9'",
+            "'Programming Language :: Python :: 3.9',\r\n        "
+            "'Programming Language :: Python :: 3.10'",
+            "setup.py",
+        )
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-common/package.py

@@ -20,6 +20,10 @@ class BiobbCommon(PythonPackage):
     depends_on('py-requests', type=('build', 'run'))
     depends_on('py-biopython@1.78:1.80', type=('build', 'run'))
 
+    # Custom patch to enable python 3.10.8 for this package
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<=3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-gromacs/package.py

@@ -16,6 +16,10 @@ class BiobbGromacs(PythonPackage):
     depends_on('biobb-common')
     depends_on('gromacs')
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-io/package.py

@@ -15,6 +15,16 @@ class BiobbIo(PythonPackage):
     depends_on('biobb-common')
     depends_on('python@3.8:', type=('build', 'run'))
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+        filter_file(
+            "'Programming Language :: Python :: 3.9'",
+            "'Programming Language :: Python :: 3.9',\r\n        "
+            "'Programming Language :: Python :: 3.10'",
+            "setup.py",
+        )
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-model/package.py

@@ -16,6 +16,16 @@ class BiobbModel(PythonPackage):
     depends_on('biobb-common')
     depends_on('biobb-structure-checking')
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+        filter_file(
+            "'Programming Language :: Python :: 3.9'",
+            "'Programming Language :: Python :: 3.9',\r\n        "
+            "'Programming Language :: Python :: 3.10'",
+            "setup.py",
+        )
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)

packages/biobb-structure-utils/package.py

@@ -16,6 +16,16 @@ class BiobbStructureUtils(PythonPackage):
     depends_on('biobb-common')
     depends_on('biobb-structure-checking')
 
+    # Patching to enable python 3.10 (not official, might not be stable)
+    def patch(self):
+        filter_file("    python_requires='>=3.7,<3.10',", "    python_requires='>=3.7,<3.11',", "setup.py")
+        filter_file(
+            "'Programming Language :: Python :: 3.9'",
+            "'Programming Language :: Python :: 3.9',\r\n        "
+            "'Programming Language :: Python :: 3.10'",
+            "setup.py",
+        )
+
     # Test
     @run_after('install')
     @on_package_attributes(run_tests=True)