churchyard / rpms / psi4

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diff -up psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/chemps2/CMakeLists.txt.fedora psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/chemps2/CMakeLists.txt
--- psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/chemps2/CMakeLists.txt.fedora	2017-03-02 16:00:37.297422042 +0100
+++ psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/chemps2/CMakeLists.txt	2017-03-02 16:04:57.463421055 +0100
@@ -1,60 +1,5 @@
-if(${ENABLE_CheMPS2})
-    find_package(CheMPS2 1.8.3 CONFIG QUIET)
-
-    if(${CheMPS2_FOUND})
-        get_property(_loc TARGET CheMPS2::chemps2 PROPERTY LOCATION)
-        message(STATUS "${Cyan}Found CheMPS2${ColourReset}: ${_loc} (found version ${CheMPS2_VERSION})")
-        add_library(chemps2_external INTERFACE)  # dummy
-
-        # reset below necessary as find_package clears it. better solution sought
-        set(TargetHDF5_DIR ${STAGED_INSTALL_PREFIX}/share/cmake/TargetHDF5 CACHE PATH "path to externally detected CheMPS2Config.cmake" FORCE)
-    else()
-        include(ExternalProject)
-        message(STATUS "Suitable CheMPS2 could not be located, ${Magenta}Building CheMPS2${ColourReset} instead.")
-
-        if(${BUILD_SHARED_LIBS})
-            set(_a_only  OFF)
-            set(_so_only ON)
-        else()
-            set(_a_only  ON)
-            set(_so_only OFF)
-        endif()
-
-        ExternalProject_Add(chemps2_external
-            DEPENDS lapack_external
-                    hdf5_external
-            GIT_REPOSITORY https://github.com/loriab/CheMPS2
-            GIT_TAG config6
-            #GIT_REPOSITORY https://github.com/SebWouters/CheMPS2
-            #GIT_TAG v1.8.3
-            UPDATE_COMMAND ""
-            CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-                       -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-                       -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
-                       -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
-                       -DCMAKE_INSTALL_LIBDIR=${CMAKE_INSTALL_LIBDIR}
-                       -DCMAKE_INSTALL_BINDIR=${CMAKE_INSTALL_BINDIR}
-                       -DCMAKE_INSTALL_INCLUDEDIR=${CMAKE_INSTALL_INCLUDEDIR}
-                       -DSTATIC_ONLY=${_a_only}
-                       -DSHARED_ONLY=${_so_only}
-                       -DENABLE_OPENMP=${ENABLE_OPENMP}  # relevant
-                       -DENABLE_XHOST=${ENABLE_XHOST}
-                       -DBUILD_FPIC=${BUILD_FPIC}
-                       -DENABLE_GENERIC=${ENABLE_GENERIC}
-                       -DCMAKE_RANLIB=${CMAKE_RANLIB}
-                       -DCMAKE_AR=${CMAKE_AR}
-                       -DCMAKE_NM=${CMAKE_NM}
-                       -DENABLE_TESTS=OFF
-                       -DTargetLAPACK_DIR=${STAGED_INSTALL_PREFIX}/share/cmake/TargetLAPACK
-                       -DTargetHDF5_DIR=${STAGED_INSTALL_PREFIX}/share/cmake/TargetHDF5
-            CMAKE_CACHE_ARGS -DCMAKE_C_FLAGS:STRING=${CMAKE_C_FLAGS}
-                             -DCMAKE_CXX_FLAGS:STRING=${CMAKE_CXX_FLAGS}
-            INSTALL_COMMAND ${CMAKE_MAKE_PROGRAM} install
-            DESTDIR=${CMAKE_BINARY_DIR}/stage)
-
-        set(CheMPS2_DIR ${STAGED_INSTALL_PREFIX}/share/cmake/CheMPS2 CACHE PATH "path to internally built CheMPS2Config.cmake" FORCE)
-    endif()
-else()
-    add_library(chemps2_external INTERFACE)  # dummy
-endif()
-
+add_library(chemps2_external INTERFACE)  # dummy
+add_library(CheMPS2::chemps2 INTERFACE IMPORTED)
+set_property(TARGET CheMPS2::chemps2 PROPERTY INTERFACE_LINK_LIBRARIES "-lchemps2")
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DUSING_CheMPS2")
+set(CheMPS2_FOUND 1)
diff -up psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/libint/CMakeLists.txt.fedora psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/libint/CMakeLists.txt
--- psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/libint/CMakeLists.txt.fedora	2017-03-02 02:39:29.000000000 +0100
+++ psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/libint/CMakeLists.txt	2017-03-02 16:00:37.299422042 +0100
@@ -1,34 +1,4 @@
-find_package(libint CONFIG QUIET COMPONENTS ${MAX_AM_ERI})
-
-if(${libint_FOUND})
-    get_property(_loc TARGET libint::int PROPERTY LOCATION)
-    message(STATUS "${Cyan}Found libint ${libint_MAX_AM_ERI}${ColourReset}: ${_loc} (found version ${libint_VERSION})")
-    add_library(libint_external INTERFACE)  # dummy
-else()
-    include(ExternalProject)
-    message(STATUS "Suitable libint could not be located, ${Magenta}Building libint${ColourReset} instead.")
-    ExternalProject_Add(libint_external
-        GIT_REPOSITORY https://github.com/psi4/libint
-        #GIT_TAG v1.7.1  # TODO tag when stable
-        UPDATE_COMMAND ""
-        CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-                   -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-                   -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
-                   -DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
-                   -DCMAKE_INSTALL_LIBDIR=${CMAKE_INSTALL_LIBDIR}
-                   -DCMAKE_INSTALL_INCLUDEDIR=${CMAKE_INSTALL_INCLUDEDIR}
-                   -DMAX_AM_ERI=${MAX_AM_ERI}
-                   -DBUILD_SHARED_LIBS=${BUILD_SHARED_LIBS}
-                   # OpenMP irrelevant
-                   -DENABLE_XHOST=${ENABLE_XHOST}
-                   -DBUILD_FPIC=${BUILD_FPIC}
-                   -DENABLE_GENERIC=${ENABLE_GENERIC}
-                   -DLIBC_INTERJECT=${LIBC_INTERJECT}
-        CMAKE_CACHE_ARGS -DCMAKE_C_FLAGS:STRING=${CMAKE_C_FLAGS}
-                         -DCMAKE_CXX_FLAGS:STRING=${CMAKE_CXX_FLAGS}
-        INSTALL_COMMAND ${CMAKE_MAKE_PROGRAM} install
-        DESTDIR=${CMAKE_BINARY_DIR}/stage)
-
-    set(libint_DIR ${STAGED_INSTALL_PREFIX}/share/cmake/libint CACHE PATH "path to internally built libintConfig.cmake" FORCE)
-endif()
-
+add_library(libint_external INTERFACE)  # dummy
+add_library(libint::libint INTERFACE IMPORTED)
+set_property(TARGET libint::libint PROPERTY INTERFACE_LINK_LIBRARIES "-lderiv -lint")
+set(libint_FOUND 1)
diff -up psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/pybind11/CMakeLists.txt.fedora psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/pybind11/CMakeLists.txt
--- psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/pybind11/CMakeLists.txt.fedora	2017-03-02 02:39:29.000000000 +0100
+++ psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/external/upstream/pybind11/CMakeLists.txt	2017-03-02 16:00:37.315422039 +0100
@@ -1,22 +1,2 @@
-find_package(pybind11 2.0.0 CONFIG QUIET)
-
-if(${pybind11_FOUND})
-    message(STATUS "${Cyan}Found pybind11${ColourReset}: ${pybind11_INCLUDE_DIR} (found version ${pybind11_VERSION})")
-    add_library(pybind11_external INTERFACE)  # dummy
-else()
-    include(ExternalProject)
-    message(STATUS "Suitable pybind11 could not be located, ${Magenta}Building pybind11${ColourReset} instead.")
-    ExternalProject_Add(pybind11_external
-        GIT_REPOSITORY https://github.com/pybind/pybind11
-        GIT_TAG v2.0.0
-        UPDATE_COMMAND ""
-        CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
-                   -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-                   -DCMAKE_INSTALL_INCLUDEDIR=${CMAKE_INSTALL_INCLUDEDIR}
-                   -DPYBIND11_TEST=OFF
-        INSTALL_COMMAND ${CMAKE_MAKE_PROGRAM} install
-        DESTDIR=${CMAKE_BINARY_DIR}/stage)
-
-    set(pybind11_DIR ${STAGED_INSTALL_PREFIX}/share/cmake/pybind11 CACHE PATH "path to internally built pybind11Config.cmake" FORCE)
-endif()
-
+add_library(pybind11_external INTERFACE)  # dummy
+set(pybind11_FOUND 1)
diff -up psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/CMakeLists.txt.fedora psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/CMakeLists.txt
--- psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/CMakeLists.txt.fedora	2017-03-02 02:39:29.000000000 +0100
+++ psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/CMakeLists.txt	2017-03-02 16:00:37.316422041 +0100
@@ -56,10 +56,11 @@ find_package(DL)
 set_property(GLOBAL PROPERTY PSI4_MODULES "")
 
 if(${ENABLE_CheMPS2})
-    find_package(CheMPS2 1.8.3 CONFIG REQUIRED)
-    get_property(_loc TARGET CheMPS2::chemps2 PROPERTY LOCATION)
-    list(APPEND _addons ${_loc})
-    message(STATUS "${Cyan}Using CheMPS2${ColourReset}: ${_loc} (version ${CheMPS2_VERSION})")
+  add_library(chemps2_external INTERFACE)  # dummy
+  add_library(CheMPS2::chemps2 INTERFACE IMPORTED)
+  set_property(TARGET CheMPS2::chemps2 PROPERTY INTERFACE_LINK_LIBRARIES "-lchemps2")
+  set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DUSING_CheMPS2")
+  set(CheMPS2_FOUND 1)
 else()
     message(STATUS "Disabled CheMPS2")
 endif ()
@@ -100,10 +101,10 @@ else()
     message(STATUS "Disabled gdma")
 endif()
 
-find_package(libint CONFIG REQUIRED COMPONENTS ${MAX_AM_ERI})
-get_property(_loc TARGET libint::int PROPERTY LOCATION)
-list(APPEND _addons ${_loc})
-message(STATUS "${Cyan}Using libint ${libint_MAX_AM_ERI}${ColourReset}: ${_loc} (version ${libint_VERSION})")
+add_library(libint_external INTERFACE)  # dummy
+add_library(libint::libint INTERFACE IMPORTED)
+set_property(TARGET libint::libint PROPERTY INTERFACE_LINK_LIBRARIES "-lderiv -lint")
+set(libint_FOUND 1)
 
 if(${ENABLE_PCMSolver})
     find_package(PCMSolver 1.1.9 CONFIG REQUIRED)
diff -up psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/src/psi4/libmints/eri.h.fedora psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/src/psi4/libmints/eri.h
--- psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/src/psi4/libmints/eri.h.fedora	2017-03-02 02:39:29.000000000 +0100
+++ psi4-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415/psi4/src/psi4/libmints/eri.h	2017-03-02 16:00:37.318422041 +0100
@@ -29,7 +29,7 @@
 #define _psi_src_lib_libmints_eri_h
 
 #include <libint/libint.h>
-#include <libint/libderiv.h>
+#include <libderiv/libderiv.h>
 #include "psi4/libmints/twobody.h"
 
 namespace psi {