diff --git a/lib/python/Makefile.lammps b/lib/python/Makefile.lammps
index e4afa70456..bfde590a39 100644
--- a/lib/python/Makefile.lammps
+++ b/lib/python/Makefile.lammps
@@ -1,7 +1,14 @@
 # Settings that the LAMMPS build will import when this package library is used
 # See the README file for more explanation
-
-python_SYSINC = $(shell which python-config > /dev/null 2>&1 && python-config --includes || :)
-python_SYSLIB = $(shell which python-config > /dev/null 2>&1 && python-config --ldflags --embed > /dev/null 2>&1 && python-config --ldflags --embed || (which python-config > /dev/null 2>&1 && python-config --ldflags || :) )
-python_SYSPATH =
+ifeq ($(shell type python3 >/dev/null 2>&1; echo $$?), 0)
+PYTHON=python3
+PYTHONCONFIG = python3-config
+else
+PYTHONCONFIG = python-config
 PYTHON=python
+endif
+
+
+python_SYSINC = $(shell which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --includes || :)
+python_SYSLIB = $(shell which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags --embed > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags --embed || (which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags || :) )
+python_SYSPATH =
diff --git a/tools/singularity/ubuntu20.04.def b/tools/singularity/ubuntu20.04.def
index d62b4c9f86..91efd1b5fd 100644
--- a/tools/singularity/ubuntu20.04.def
+++ b/tools/singularity/ubuntu20.04.def
@@ -54,6 +54,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \
diff --git a/tools/singularity/ubuntu20.04_amd_rocm.def b/tools/singularity/ubuntu20.04_amd_rocm.def
index 6792322af0..28f35ef406 100644
--- a/tools/singularity/ubuntu20.04_amd_rocm.def
+++ b/tools/singularity/ubuntu20.04_amd_rocm.def
@@ -83,6 +83,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \
diff --git a/tools/singularity/ubuntu20.04_gpu.def b/tools/singularity/ubuntu20.04_gpu.def
index b746f92086..0044970b04 100644
--- a/tools/singularity/ubuntu20.04_gpu.def
+++ b/tools/singularity/ubuntu20.04_gpu.def
@@ -88,6 +88,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \
diff --git a/tools/singularity/ubuntu20.04_intel_opencl.def b/tools/singularity/ubuntu20.04_intel_opencl.def
index c8680a16c7..42cc1ab6fa 100644
--- a/tools/singularity/ubuntu20.04_intel_opencl.def
+++ b/tools/singularity/ubuntu20.04_intel_opencl.def
@@ -53,6 +53,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \
diff --git a/tools/singularity/ubuntu20.04_nvidia.def b/tools/singularity/ubuntu20.04_nvidia.def
index 3affc30b8b..aacaeec7b5 100644
--- a/tools/singularity/ubuntu20.04_nvidia.def
+++ b/tools/singularity/ubuntu20.04_nvidia.def
@@ -56,6 +56,7 @@ From: nvidia/cuda:11.6.2-devel-ubuntu20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \
diff --git a/tools/singularity/ubuntu20.04_oneapi.def b/tools/singularity/ubuntu20.04_oneapi.def
index 70d69c7d80..36677ec867 100644
--- a/tools/singularity/ubuntu20.04_oneapi.def
+++ b/tools/singularity/ubuntu20.04_oneapi.def
@@ -52,6 +52,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \
diff --git a/tools/singularity/ubuntu22.04.def b/tools/singularity/ubuntu22.04.def
index ef43347982..e14d448ce8 100644
--- a/tools/singularity/ubuntu22.04.def
+++ b/tools/singularity/ubuntu22.04.def
@@ -54,6 +54,7 @@ From: ubuntu:22.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \