From d6c9b8348625ad8ffdbbc5fd22ea0520bb76db4a Mon Sep 17 00:00:00 2001
From: Fionn Malone <fionn.malone@gmail.com>
Date: Wed, 11 Sep 2019 11:30:58 -0700
Subject: [PATCH] Add PYSCF_BIN variable to guard afqmc workflow tests.

---
 CMakeLists.txt       | 11 +++++++++++
 tests/CMakeLists.txt |  7 ++++++-
 2 files changed, 17 insertions(+), 1 deletion(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 6e1d7ec52..8d54b83a9 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -49,6 +49,17 @@ IF ( DEFINED QE_BIN )
   VERIFY_QE_PRESENT( ${QE_BIN} )
 ENDIF()
 
+######################################################################
+# Verify PYSCF package is present
+######################################################################
+IF ( DEFINED PYSCF_BIN )
+  INCLUDE(CMake/python.cmake)
+  TEST_PYTHON_MODULE(pyscf HAVE_PYSCF)
+  IF (NOT HAVE_PYSCF)
+    MESSAGE( FATAL_ERROR "PYSCF_BIN was specified but could not import pyscf." )
+  ENDIF()
+ENDIF()
+
 ######################################################################
 # CTest
 ######################################################################
diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt
index 782d545ea..07825ff9c 100644
--- a/tests/CMakeLists.txt
+++ b/tests/CMakeLists.txt
@@ -41,7 +41,12 @@ ELSE()
 ENDIF()
 
 IF(BUILD_AFQMC)
-  SUBDIRS("afqmc/workflow")
+  IF(PYSCF_BIN)
+    MESSAGE("PYSCF path specified as: ${PYSCF_BIN}.")
+    SUBDIRS("afqmc/workflow")
+  ELSE()
+    MESSAGE("PYSCF_BIN is not set. AFQMC workflow tests will not be performed.")
+  ENDIF()
 ENDIF()
 
 #