n2p2: Add new package (#21709)

* n2p2: Add new package

* remove ,

* Resurrection of , and changed " to single

* changed example.command to example.co

* n2p2: Added v2.1.1

* n2p2: Changed the type of depends_on.

8 files changed, 768 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/n2p2/interface-makefile.patch b/var/spack/repos/builtin/packages/n2p2/interface-makefile.patch
new file mode 100644
index 0000000000..f987c9cb54
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/interface-makefile.patch
@@ -0,0 +1,18 @@
+--- a/src/interface/makefile
++++ b/src/interface/makefile
+@@ -45,10 +45,11 @@ lammps-nnp:
+ 	tar -xzf $(LAMMPS_VERSION).tar.gz && mv lammps-$(LAMMPS_VERSION) lammps-nnp
+ 	ln -s $(PROJECT_DIR)/../../ lammps-nnp/lib/nnp
+ 	cp -r ./LAMMPS/src/USER-NNP lammps-nnp/src/
+-	sed -i "s/^CC .*$$/CC      =       $(PROJECT_MPICC)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	sed -i "s/^CCFLAGS .*$$/CCFLAGS =       $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	sed -i "s/^LINK .*$$/LINK =          $(PROJECT_MPICC)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	sed -i "s/^LINKFLAGS .*$$/LINKFLAGS =     $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)/" lammps-nnp/src/MAKE/Makefile.mpi
++	sed -i "s/final(/final2(/g" lammps-nnp/src/hashlittle.cpp
++	sed -i "s|^CC .*$$|CC      =       $(PROJECT_MPICC)|" lammps-nnp/src/MAKE/Makefile.mpi
++	sed -i "s|^CCFLAGS .*$$|CCFLAGS =       $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)|" lammps-nnp/src/MAKE/Makefile.mpi
++	sed -i "s|^LINK .*$$|LINK =          $(PROJECT_MPICC)|" lammps-nnp/src/MAKE/Makefile.mpi
++	sed -i "s|^LINKFLAGS .*$$|LINKFLAGS =     $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)|" lammps-nnp/src/MAKE/Makefile.mpi
+ 	if [ "$(MODE)" = "test" ]; then \
+ 		sed -i "/^CCFLAGS =/   s/$$/ $(PROJECT_DEBUG) $(PROJECT_TEST)/" lammps-nnp/src/MAKE/Makefile.mpi; \
+ 		sed -i "/^LINKFLAGS =/ s/$$/ $(PROJECT_DEBUG) $(PROJECT_TEST)/" lammps-nnp/src/MAKE/Makefile.mpi; \
diff --git a/var/spack/repos/builtin/packages/n2p2/interface-makefile211.patch b/var/spack/repos/builtin/packages/n2p2/interface-makefile211.patch
new file mode 100644
index 0000000000..e4317b3c12
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/interface-makefile211.patch
@@ -0,0 +1,17 @@
+--- a/src/interface/makefile
++++ b/src/interface/makefile
+@@ -46,10 +46,10 @@ lammps-nnp:
+ 	tar -xzf $(LAMMPS_VERSION).tar.gz && mv lammps-$(LAMMPS_VERSION) lammps-nnp
+ 	ln -s $(PROJECT_DIR)/../../ lammps-nnp/lib/nnp
+ 	cp -r ./LAMMPS/src/USER-NNP lammps-nnp/src/
+-	@sed -i.bak "s/^CC .*$$/CC      =       $(PROJECT_MPICC)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	@sed -i.bak "s/^CCFLAGS .*$$/CCFLAGS =       $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	@sed -i.bak "s/^LINK .*$$/LINK =          $(PROJECT_MPICC)/" lammps-nnp/src/MAKE/Makefile.mpi
+-	@sed -i.bak "s/^LINKFLAGS .*$$/LINKFLAGS =     $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)/" lammps-nnp/src/MAKE/Makefile.mpi
++	@sed -i.bak "s|^CC .*$$|CC      =       $(PROJECT_MPICC)|" lammps-nnp/src/MAKE/Makefile.mpi
++	@sed -i.bak "s|^CCFLAGS .*$$|CCFLAGS =       $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)|" lammps-nnp/src/MAKE/Makefile.mpi
++	@sed -i.bak "s|^LINK .*$$|LINK =          $(PROJECT_MPICC)|" lammps-nnp/src/MAKE/Makefile.mpi
++	@sed -i.bak "s|^LINKFLAGS .*$$|LINKFLAGS =     $(PROJECT_CFLAGS) $(PROJECT_CFLAGS_MPI)|" lammps-nnp/src/MAKE/Makefile.mpi
+ 	if [ "$(MODE)" = "test" ]; then \
+ 		sed -i.bak "/^CCFLAGS =/   s/$$/ $(LAMMPS_DEBUG) $(PROJECT_TEST)/" lammps-nnp/src/MAKE/Makefile.mpi; \
+ 		sed -i.bak "/^LINKFLAGS =/ s/$$/ $(LAMMPS_DEBUG) $(PROJECT_TEST)/" lammps-nnp/src/MAKE/Makefile.mpi; \
diff --git a/var/spack/repos/builtin/packages/n2p2/libnnp-makefile.patch b/var/spack/repos/builtin/packages/n2p2/libnnp-makefile.patch
new file mode 100644
index 0000000000..0405845a34
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/libnnp-makefile.patch
@@ -0,0 +1,30 @@
+--- a/src/libnnp/makefile
++++ b/src/libnnp/makefile
+@@ -72,11 +72,11 @@ headers: version
+ 
+ version:
+ 	@$(eval GIT_VERSION = $(shell git describe --tags --always))
+-	@sed -i.bak -E "s/(NNP_GIT_VERSION) .*/\1 \"$(GIT_VERSION)\"/" version.h
++	@sed -i.bak -E "s|(NNP_GIT_VERSION) .*|\1 \"$(GIT_VERSION)\"|" version.h
+ 	@$(eval GIT_REV = $(shell git rev-parse HEAD))
+-	@sed -i.bak -E "s/(NNP_GIT_REV) .*/\1 \"$(GIT_REV)\"/" version.h
++	@sed -i.bak -E "s|(NNP_GIT_REV) .*|\1 \"$(GIT_REV)\"|" version.h
+ 	@$(eval GIT_BRANCH = $(shell git rev-parse --abbrev-ref HEAD))
+-	@sed -i.bak -E "s/(NNP_GIT_BRANCH) .*/\1 \"$(GIT_BRANCH)\"/" version.h
++	@sed -i.bak -E "s|(NNP_GIT_BRANCH) .*|\1 \"$(GIT_BRANCH)\"|" version.h
+ 	@rm version.h.bak
+ 
+ $(LIB).so: CFLAGS+= -fPIC
+@@ -97,9 +97,9 @@ clean: clean-version clean-headers
+ 	$(RM) $(PROJECT_LIB)/$(LIB).so $(PROJECT_LIB)/$(LIB).a
+ 
+ clean-version:
+-	@sed -i.bak -E "s/(NNP_GIT_VERSION) .*/\1 \"\"/" version.h
+-	@sed -i.bak -E "s/(NNP_GIT_REV) .*/\1 \"\"/" version.h
+-	@sed -i.bak -E "s/(NNP_GIT_BRANCH) .*/\1 \"\"/" version.h
++	@sed -i.bak -E "s|(NNP_GIT_VERSION) .*|\1 \"\"|" version.h
++	@sed -i.bak -E "s|(NNP_GIT_REV) .*|\1 \"\"|" version.h
++	@sed -i.bak -E "s|(NNP_GIT_BRANCH) .*|\1 \"\"|" version.h
+ 	@rm version.h.bak
+ 
+ clean-headers:
diff --git a/var/spack/repos/builtin/packages/n2p2/nnp_test.h.patch b/var/spack/repos/builtin/packages/n2p2/nnp_test.h.patch
new file mode 100644
index 0000000000..d5296ba1e4
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/nnp_test.h.patch
@@ -0,0 +1,10 @@
+--- a/test/cpp/nnp_test.h
++++ b/test/cpp/nnp_test.h
+@@ -7,6 +7,7 @@
+ #include <boost/process.hpp>
+ #include <boost/filesystem.hpp>
+ #include <iostream>
++#include <boost/asio.hpp>
+ #include "fileHelpers.h"
+ 
+ namespace bdata = boost::unit_test::data;
diff --git a/var/spack/repos/builtin/packages/n2p2/package.py b/var/spack/repos/builtin/packages/n2p2/package.py
new file mode 100644
index 0000000000..0d8ffda8e4
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/package.py
@@ -0,0 +1,138 @@
+# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack import *
+
+
+class N2p2(MakefilePackage):
+    """N2p2 (The neural network potential package) provides ready-to-use
+       software for high-dimensional neural network potentials
+       in computational physics and chemistry."""
+
+    homepage = "https://github.com/CompPhysVienna/n2p2"
+    url = "https://github.com/CompPhysVienna/n2p2/archive/v2.1.0.tar.gz"
+
+    version(
+        "2.1.1",
+        sha256="90fbc0756132984d0d7e6d92d2f53358c120e75f148910d90c027158163251b9",
+    )
+    version(
+        "2.1.0",
+        sha256="283c00e9a5b964f4c84a70c5f1cef7167e9b881080b50a221da08799e5ede400",
+    )
+
+    variant("doc", default=False, description="build documentation with Doxygen")
+
+    patch("interface-makefile.patch", when="@2.1.0")
+    patch("interface-makefile211.patch", when="@2.1.1")
+    patch("libnnp-makefile.patch")
+    patch("nnp_test.h.patch")
+
+    depends_on("mpi")
+    depends_on("blas")
+    depends_on("gsl", type=("build", "run", "link"))
+    depends_on("eigen", type=("build", "run", "link"))
+    depends_on("doxygen", type="build", when="+doc")
+    depends_on("texlive", type="build", when="+doc")
+    depends_on("py-cython", type=("build", "run"))
+    depends_on("py-breathe", type="build", when="+doc")
+    depends_on("py-sphinx", type="build", when="+doc")
+    depends_on("py-sphinx-rtd-theme", type="build", when="+doc")
+
+    depends_on("boost", type="link")
+    depends_on("lcov", type=("build", "run"))
+    depends_on("py-pytest", type=("build", "run"))
+    depends_on("py-pytest-cov", type="run")
+    depends_on("py-coverage@4.5.4", type="run")
+    depends_on("py-packaging", type="run")
+    depends_on("python", type=("build", "run"))
+
+    test_requires_compiler = True
+
+    def edit(self, spec, prefix):
+        makefile = FileFilter(join_path("src", "makefile.gnu"))
+        blas_libs = self.spec["blas"].libs
+        makefile.filter("PROJECT_CC=.*", "PROJECT_CC={0}".format(spack_cxx))
+        makefile.filter(
+            "PROJECT_MPICC=.*", "PROJECT_MPICC={0}".format(self.spec["mpi"].mpicxx)
+        )
+        makefile.filter(
+            "PROJECT_CFLAGS=.*", "PROJECT_CFLAGS={0}".format(self.compiler.cxx11_flag)
+        )
+        makefile.filter(
+            "PROJECT_LDFLAGS_BLAS.*",
+            "PROJECT_LDFLAGS_BLAS={0} -lgsl -lgslcblas".format(blas_libs.ld_flags),
+        )
+
+    def build(self, spec, prefix):
+        with working_dir("src"):
+            make()
+            make("lammps-nnp")
+            make("pynnp")
+            if "+doc" in self.spec:
+                make("doc")
+
+    def install(self, spec, prefix):
+        install_tree("bin", prefix.bin)
+        if "+doc" in self.spec:
+            install_tree("doc", prefix.doc)
+        install_tree("examples", prefix.examples)
+        install_tree("include", prefix.include)
+        install_tree("lib", prefix.lib)
+        install_tree("tools", prefix.tools)
+
+    @run_after("install")
+    def setup_build_tests(self):
+        """Copy the build test files after the package is installed to an
+        install test subdirectory for use during `spack test run`."""
+        self.cache_extra_test_sources(".")
+
+    def test(self):
+        with working_dir(join_path(self.install_test_root, "test"), create=False):
+            make("clean")
+
+        with working_dir(join_path(self.install_test_root, "src"), create=False):
+            make("clean")
+            make(
+                "MODE=test",
+                "PROJECT_GSL={0}".format(self.spec["gsl"].prefix.include),
+                "PROJECT_EIGEN={0}".format(self.spec["eigen"].prefix.include.eigen3),
+            )
+            make(
+                "MODE=test",
+                "lammps-nnp",
+                "PROJECT_GSL={0}".format(self.spec["gsl"].prefix.include),
+                "PROJECT_EIGEN={0}".format(self.spec["eigen"].prefix.include.eigen3),
+            )
+            make("pynnp", "MODE=test")
+
+        with working_dir(join_path(self.install_test_root, "test"), create=False):
+            if self.spec.satisfies("%fj"):
+                f = FileFilter(join_path("cpp", "nnp_test.h"))
+                f.filter(
+                    "(example.co",
+                    '("{0} -n 1 " + example.co'.format(
+                        self.spec["mpi"].prefix.bin.mpirun
+                    ),
+                    string=True,
+                )
+
+            f = FileFilter(join_path("cpp", "makefile"))
+            f.filter(
+                "log_level=.*", "log_level=$(LOG_LEVEL) 2>&1 | tee -a ../output_cpp.txt"
+            )
+
+            f = FileFilter(join_path("python", "makefile"))
+            f.filter("term\\s-v.*", "term -v | tee -a ../output_python.txt")
+
+            make("cpp", parallel=False)
+            make("python", parallel=False)
+
+            test_dir = self.test_suite.current_test_data_dir
+            expected_file = join_path(
+                test_dir, "expected-result-{0}.txt".format(self.version)
+            )
+            check_n2p2 = Executable(join_path(test_dir, "result-check.sh"))
+            check_n2p2("./output_cpp.txt", "./output_python.txt", expected_file)
diff --git a/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.0.txt b/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.0.txt
new file mode 100644
index 0000000000..8fabaf2abd
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.0.txt
@@ -0,0 +1,271 @@
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
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+test_Atom.py::Test___cinit__::test_empty_initialization PASSED           [  0%]
+test_Atom.py::Test_hasNeighborList::test_correct_type PASSED             [  1%]
+test_Atom.py::Test_hasNeighborList::test_set_and_get PASSED              [  1%]
+test_Atom.py::Test_hasSymmetryFunctions::test_correct_type PASSED        [  1%]
+test_Atom.py::Test_hasSymmetryFunctions::test_set_and_get PASSED         [  2%]
+test_Atom.py::Test_hasSymmetryFunctionDerivatives::test_correct_type PASSED [  2%]
+test_Atom.py::Test_hasSymmetryFunctionDerivatives::test_set_and_get PASSED [  3%]
+test_Atom.py::Test_index::test_correct_type PASSED                       [  3%]
+test_Atom.py::Test_index::test_set_and_get PASSED                        [  3%]
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+test_Atom.py::Test_tag::test_correct_type PASSED                         [  5%]
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+test_Atom.py::Test_element::test_set_and_get PASSED                      [  6%]
+test_Atom.py::Test_numNeighbors::test_correct_type PASSED                [  6%]
+test_Atom.py::Test_numNeighbors::test_set_and_get PASSED                 [  7%]
+test_Atom.py::Test_numNeighborsUnique::test_correct_type PASSED          [  7%]
+test_Atom.py::Test_numNeighborsUnique::test_set_and_get PASSED           [  7%]
+test_Atom.py::Test_numSymmetryFunctions::test_correct_type PASSED        [  8%]
+test_Atom.py::Test_numSymmetryFunctions::test_set_and_get PASSED         [  8%]
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+test_Atom.py::Test_r::test_correct_type PASSED                           [ 10%]
+test_Atom.py::Test_r::test_set_and_get PASSED                            [ 10%]
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+test_Atom.py::Test_fRef::test_correct_type PASSED                        [ 12%]
+test_Atom.py::Test_fRef::test_set_and_get PASSED                         [ 12%]
+test_Atom.py::Test_neighborsUnique::test_correct_type PASSED             [ 12%]
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+test_Atom.py::Test_G::test_correct_type PASSED                           [ 13%]
+test_Atom.py::Test_dEdG::test_correct_type PASSED                        [ 14%]
+test_Atom.py::Test_dGdr::test_correct_type PASSED                        [ 14%]
+test_Atom.py::Test_neighbors::test_correct_type PASSED                   [ 14%]
+test_Atom.py::Test_info::test_return_list PASSED                         [ 15%]
+test_CutoffFunction.py::Test___cinit__::test_skeleton_initialization PASSED [ 15%]
+test_CutoffFunction.py::Test___cinit__::test_empty_initialization PASSED [ 16%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[0] PASSED [ 16%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[1] PASSED [ 16%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[2] PASSED [ 17%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[3] PASSED [ 17%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[4] PASSED [ 18%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[5] PASSED [ 18%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[6] PASSED [ 18%]
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+test_CutoffFunction.py::Test_setCutoffType::test_set_correct_type[8] PASSED [ 19%]
+test_CutoffFunction.py::Test_setCutoffType::test_set_unknown_type PASSED [ 20%]
+test_CutoffFunction.py::Test_setCutoffRadius::test_set_float_value PASSED [ 20%]
+test_CutoffFunction.py::Test_setCutoffRadius::test_set_wrong_argument PASSED [ 20%]
+test_CutoffFunction.py::Test_setCutoffParameter::test_set_float_value PASSED [ 21%]
+test_CutoffFunction.py::Test_setCutoffParameter::test_set_wrong_float_value PASSED [ 21%]
+test_CutoffFunction.py::Test_setCutoffParameter::test_set_wrong_argument PASSED [ 21%]
+test_CutoffFunction.py::Test_f::test_boundaries[0] PASSED                [ 22%]
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+test_CutoffFunction.py::Test_f::test_boundaries[2] PASSED                [ 23%]
+test_CutoffFunction.py::Test_f::test_boundaries[3] PASSED                [ 23%]
+test_CutoffFunction.py::Test_f::test_boundaries[4] PASSED                [ 23%]
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+test_CutoffFunction.py::Test_f::test_boundaries[6] PASSED                [ 24%]
+test_CutoffFunction.py::Test_f::test_boundaries[7] PASSED                [ 25%]
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+test_CutoffFunction.py::Test_f::test_nonzero_radius[7-0.07055664062499914] PASSED [ 28%]
+test_CutoffFunction.py::Test_f::test_nonzero_radius[8-0.04892730712890944] PASSED [ 29%]
+test_CutoffFunction.py::Test_f::test_nonfloat_argument PASSED            [ 29%]
+test_CutoffFunction.py::Test_df::test_boundaries[0] PASSED               [ 29%]
+test_CutoffFunction.py::Test_df::test_boundaries[1] PASSED               [ 30%]
+test_CutoffFunction.py::Test_df::test_boundaries[2] PASSED               [ 30%]
+test_CutoffFunction.py::Test_df::test_boundaries[3] PASSED               [ 30%]
+test_CutoffFunction.py::Test_df::test_boundaries[4] PASSED               [ 31%]
+test_CutoffFunction.py::Test_df::test_boundaries[5] PASSED               [ 31%]
+test_CutoffFunction.py::Test_df::test_boundaries[6] PASSED               [ 32%]
+test_CutoffFunction.py::Test_df::test_boundaries[7] PASSED               [ 32%]
+test_CutoffFunction.py::Test_df::test_boundaries[8] PASSED               [ 32%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[0-0.0] PASSED       [ 33%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[1--0.46280030605816297] PASSED [ 33%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[2--0.0374393678577051] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[3--0.08475351107871792] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[4--0.9027038257291898] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[5--0.4687499999999999] PASSED [ 35%]
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diff --git a/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.1.txt b/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.1.txt
new file mode 100644
index 0000000000..26fb530a38
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/test/expected-result-2.1.1.txt
@@ -0,0 +1,272 @@
+*** No errors detected
+*** No errors detected
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+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
+*** No errors detected
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+test_CutoffFunction.py::Test_df::test_nonzero_radius[1--0.46280030605816297] PASSED [ 33%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[2--0.0374393678577051] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[3--0.08475351107871792] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[4--0.9027038257291898] PASSED [ 34%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[5--0.4687499999999999] PASSED [ 35%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[6--0.43945312499999917] PASSED [ 35%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[7--0.38452148437500033] PASSED [ 36%]
+test_CutoffFunction.py::Test_df::test_nonzero_radius[8--0.32444000244141674] PASSED [ 36%]
+test_CutoffFunction.py::Test_df::test_nonfloat_argument PASSED           [ 36%]
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+test_CutoffFunction.py::Test_fdf::test_boundaries[2] PASSED              [ 38%]
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+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[0-1.0-0.0] PASSED  [ 40%]
+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[1-0.1464466094067261--0.46280030605816297] PASSED [ 41%]
+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[2-0.00768915371206977--0.0374393678577051] PASSED [ 41%]
+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[3-0.01740635089776903--0.08475351107871792] PASSED [ 41%]
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+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[5-0.1562499999999999--0.4687499999999999] PASSED [ 42%]
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+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[7-0.07055664062499914--0.38452148437500033] PASSED [ 43%]
+test_CutoffFunction.py::Test_fdf::test_nonzero_radius[8-0.04892730712890944--0.32444000244141674] PASSED [ 43%]
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+test_Settings.py::Test___getitem__::test_nonexisting_key[setups/Settings] PASSED [ 71%]
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+test_Settings.py::Test_getSettingsLines::test_return_list[setups/Settings] PASSED [ 75%]
+test_Vec3D.py::Test___cinit__::test_skeleton_initialization PASSED       [ 75%]
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+test_Vec3D.py::Test_r::test_setter_correct_assignment PASSED             [ 99%]
+test_Vec3D.py::Test_r::test_setter_correct_assignment_to_Vec3D PASSED    [ 99%]
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diff --git a/var/spack/repos/builtin/packages/n2p2/test/result-check.sh b/var/spack/repos/builtin/packages/n2p2/test/result-check.sh
new file mode 100755
index 0000000000..cc7acd780a
--- /dev/null
+++ b/var/spack/repos/builtin/packages/n2p2/test/result-check.sh
@@ -0,0 +1,12 @@
+#!/bin/bash
+
+grep -e "No errors detected" "$1" > test-result.txt
+grep -e "PASSED" "$2" >> test-result.txt
+
+if cmp -s $3 test-result.txt; then
+    echo "Test of n2p2 PASSED !"
+else
+    echo "Test of n2p2 Failed !"
+fi
+
+rm $1 $2 test-result.txt