DSQSS: Add test function, and Continuation of # 21666. (#22103)

var/spack/repos/builtin/packages/dsqss/package.py

@@ -26,6 +26,11 @@ class Dsqss(CMakePackage):
     depends_on('py-scipy', type=('build', 'run'))
     depends_on('py-toml', type=('build', 'run'))
 
+    depends_on('py-setuptools', type='build')
+    depends_on('py-pip', type='build')
+    depends_on('py-wheel', type='build')
+
+    patch('spackpip.patch')
     patch('ctest.patch')
 
     extends('python')
@@ -45,3 +50,23 @@ def cmake_args(self):
         ]
 
         return args
+
+    def test(self):
+        test01 = find(self.prefix.share, '01_spindimer')[0]
+        copy(join_path(test01, 'std.toml'), '.')
+        # prepare
+        pythonexe = self.spec['python'].command.path
+        opts = [self.spec.prefix.bin.dla_pre, 'std.toml']
+        self.run_test(pythonexe, options=opts)
+        # (mpi) run
+        opts = []
+        if self.spec.satisfies('+mpi'):
+            exe_name = self.spec['mpi'].prefix.bin.mpirun
+            opts.extend(['-n', '1'])
+            opts.append(join_path(self.prefix.bin, 'dla'))
+        else:
+            exe_name = 'dla'
+        opts.append('param.in')
+        expected = ['R ene = -3.74300000e-01 2.96344394e-03']
+        self.run_test(exe_name, options=opts)
+        self.run_test('cat', options=['sample.log'], expected=expected)

var/spack/repos/builtin/packages/dsqss/spackpip.patch

@@ -0,0 +1,30 @@
+--- a/tool/cmake/install.sh.in	2021-03-01 15:31:40.510128100 +0900
++++ b/tool/cmake/install.sh.in	2021-03-01 15:33:07.203367716 +0900
+@@ -1,16 +1,9 @@
+-export PYTHONPATH=@DSQSS_PYTHONPATH@
++export PYTHONPATH=$PYTHONPATH:@DSQSS_PYTHONPATH@
+ 
+ cd @CMAKE_CURRENT_BINARY_DIR@
+ 
+-if ! @PYTHON_EXECUTABLE@ -m pip --version >/dev/null 2>/dev/null ;then
+-  set -e
+-  wget https://bootstrap.pypa.io/get-pip.py -O get-pip.py
+-  PIP_USER=0 @PYTHON_EXECUTABLE@ get-pip.py --prefix=@CMAKE_INSTALL_PREFIX@
+-fi
+ 
+ set -e
+-PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install -U pip --prefix=@CMAKE_INSTALL_PREFIX@ 
+-PIP_USER=0 @PYTHON_EXECUTABLE@ -m pip install wheel --prefix=@CMAKE_INSTALL_PREFIX@ --no-warn-script-location
+ DSQSS_VERSION=$(@PYTHON_EXECUTABLE@ setup.py --version)
+ @PYTHON_EXECUTABLE@ setup.py bdist_wheel --universal
+ mkdir -p temp
+--- a/tool/setup.py	2021-03-01 15:34:16.242136754 +0900
++++ b/tool/setup.py	2021-03-01 15:34:36.381650889 +0900
+@@ -26,7 +26,6 @@
+     license="GPLv3",
+     packages=["dsqss", 'dsqss.lattice_factory'],
+     python_requires=">=2.7",
+-    install_requires=["numpy", "scipy", "toml"],
+     entry_points={
+         "console_scripts": [
+             "dla_hamgen = dsqss.std_model:main",