From 215a15e3e3b88f677dcdd56853293a3f4f701571 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Sep 06 2015 21:03:00 +0000 Subject: Update to new version. --- diff --git a/psi4-gitversion.patch b/psi4-gitversion.patch new file mode 100644 index 0000000..5bacfa4 --- /dev/null +++ b/psi4-gitversion.patch @@ -0,0 +1,48 @@ +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt.gitversion psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt.gitversion 2015-09-06 12:39:37.481839259 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt 2015-09-06 12:53:57.223151247 -0700 +@@ -1,12 +1,4 @@ +-# Run the git version script, and update gitversion.h, if it's changed +-add_custom_target(update_version +- COMMAND ${PYTHON_EXECUTABLE} ${CMAKE_CURRENT_SOURCE_DIR}/gitversion.py ${PROJECT_SOURCE_DIR} +- COMMAND ${CMAKE_COMMAND} -E copy_if_different ${CMAKE_CURRENT_BINARY_DIR}/gitversion.h.tmp ${CMAKE_CURRENT_BINARY_DIR}/gitversion.h +- COMMAND ${CMAKE_COMMAND} -E remove ${CMAKE_CURRENT_BINARY_DIR}/gitversion.h.tmp +- COMMENT "Generating Git info") +- + add_library(versioned_code OBJECT version.cc python.cc psi_start.cc) +-add_dependencies(versioned_code update_version) + add_dependencies(versioned_code mints) + + set(headers_list "") +@@ -57,7 +49,6 @@ list(APPEND + + # Executable psi4 + add_executable(psi4 ${sources_list}) +-add_dependencies(psi4 update_version) + if(CUSTOM_BOOST_BUILD) + add_dependencies(psi4 custom_boost) + endif() +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/python.cc.gitversion psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/python.cc +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/python.cc.gitversion 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/python.cc 2015-09-06 12:57:40.213173096 -0700 +@@ -742,12 +742,20 @@ double py_psi_thermo() + + char const *py_psi_version() + { ++#ifdef PSI_VERSION + return PSI_VERSION; ++#else ++ return ""; ++#endif + } + + char const *py_psi_git_version() + { ++#ifdef GIT_VERSION + return GIT_VERSION; ++#else ++ return ""; ++#endif + } + + void py_psi_clean() diff --git a/psi4-includeinst.patch b/psi4-includeinst.patch new file mode 100644 index 0000000..47ea382 --- /dev/null +++ b/psi4-includeinst.patch @@ -0,0 +1,532 @@ +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/interfaces/libefp/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/interfaces/libefp/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/interfaces/libefp/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/interfaces/libefp/CMakeLists.txt 2015-09-06 13:53:16.750784753 -0700 +@@ -34,5 +34,5 @@ set_property(TARGET interface_libefp PRO + set_property(GLOBAL APPEND PROPERTY INTERFACES interface_libefp) + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/interface_libefp) ++install_list_FILES("${headers_list}" include/psi4/interface_libefp) + +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/adc/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/adc/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/adc/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/adc/CMakeLists.txt 2015-09-06 13:48:26.468358214 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libadc) ++install_list_FILES("${headers_list}" include/psi4/libadc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/attic/psi4_detcas/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/attic/psi4_detcas/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/attic/psi4_detcas/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/attic/psi4_detcas/CMakeLists.txt 2015-09-06 13:48:26.468358214 -0700 +@@ -38,4 +38,4 @@ endif() + install(TARGETS detcas ARCHIVE DESTINATION lib) + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdetcas) ++install_list_FILES("${headers_list}" include/psi4/libdetcas) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccdensity/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccdensity/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccdensity/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccdensity/CMakeLists.txt 2015-09-06 13:48:26.468358214 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libccdensity) ++install_list_FILES("${headers_list}" include/psi4/libccdensity) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccenergy/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccenergy/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccenergy/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccenergy/CMakeLists.txt 2015-09-06 13:48:26.468358214 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libccenergy) ++install_list_FILES("${headers_list}" include/psi4/libccenergy) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cceom/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cceom/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cceom/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cceom/CMakeLists.txt 2015-09-06 13:48:26.468358214 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libcceom) ++install_list_FILES("${headers_list}" include/psi4/libcceom) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cchbar/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cchbar/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cchbar/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cchbar/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libcchbar) ++install_list_FILES("${headers_list}" include/psi4/libcchbar) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cclambda/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cclambda/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cclambda/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cclambda/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libcclambda) ++install_list_FILES("${headers_list}" include/psi4/libcclambda) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccresponse/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccresponse/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccresponse/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccresponse/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libccresponse) ++install_list_FILES("${headers_list}" include/psi4/libccresponse) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccsort/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccsort/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccsort/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/ccsort/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libccsort) ++install_list_FILES("${headers_list}" include/psi4/libccsort) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cctriples/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cctriples/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cctriples/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/cctriples/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libcctriples) ++install_list_FILES("${headers_list}" include/psi4/libcctriples) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dcft/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dcft/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dcft/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dcft/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdcft) ++install_list_FILES("${headers_list}" include/psi4/libdcft) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/deriv_wrapper/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/deriv_wrapper/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/deriv_wrapper/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/deriv_wrapper/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -26,4 +26,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libderiv_wrapper) ++install_list_FILES("${headers_list}" include/psi4/libderiv_wrapper) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/detci/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/detci/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/detci/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/detci/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdetci) ++install_list_FILES("${headers_list}" include/psi4/libdetci) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfmp2/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfmp2/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfmp2/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfmp2/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdfmp2) ++install_list_FILES("${headers_list}" include/psi4/libdfmp2) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfocc/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfocc/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfocc/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dfocc/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -74,4 +74,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdfocc) ++install_list_FILES("${headers_list}" include/psi4/libdfocc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dmrg/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dmrg/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dmrg/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/dmrg/CMakeLists.txt 2015-09-06 13:48:26.469358232 -0700 +@@ -38,4 +38,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdmrg) ++install_list_FILES("${headers_list}" include/psi4/libdmrg) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/efp/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/efp/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/efp/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/efp/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libefp) ++install_list_FILES("${headers_list}" include/psi4/libefp) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/findif/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/findif/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/findif/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/findif/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libfindif) ++install_list_FILES("${headers_list}" include/psi4/libfindif) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fisapt/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fisapt/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fisapt/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fisapt/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libfisapt) ++install_list_FILES("${headers_list}" include/psi4/libfisapt) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fnocc/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fnocc/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fnocc/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/fnocc/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libfnocc) ++install_list_FILES("${headers_list}" include/psi4/libfnocc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/lmp2/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/lmp2/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/lmp2/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/lmp2/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/liblmp2) ++install_list_FILES("${headers_list}" include/psi4/liblmp2) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mcscf/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mcscf/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mcscf/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mcscf/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libmcscf) ++install_list_FILES("${headers_list}" include/psi4/libmcscf) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mints_wrapper/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mints_wrapper/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mints_wrapper/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mints_wrapper/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libmints_wrapper) ++install_list_FILES("${headers_list}" include/psi4/libmints_wrapper) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mrcc/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mrcc/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mrcc/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/mrcc/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libmrcc) ++install_list_FILES("${headers_list}" include/psi4/libmrcc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/occ/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/occ/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/occ/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/occ/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libocc) ++install_list_FILES("${headers_list}" include/psi4/libocc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/optking/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/optking/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/optking/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/optking/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/liboptking) ++install_list_FILES("${headers_list}" include/psi4/liboptking) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psimrcc/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psimrcc/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psimrcc/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psimrcc/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libpsimrcc) ++install_list_FILES("${headers_list}" include/psi4/libpsimrcc) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/sapt/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/sapt/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/sapt/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/sapt/CMakeLists.txt 2015-09-06 13:48:26.470358251 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libsapt) ++install_list_FILES("${headers_list}" include/psi4/libsapt) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scf/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scf/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scf/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scf/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libscf) ++install_list_FILES("${headers_list}" include/psi4/libscf) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scfgrad/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scfgrad/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scfgrad/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/scfgrad/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libscfgrad) ++install_list_FILES("${headers_list}" include/psi4/libscfgrad) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/stable/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/stable/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/stable/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/stable/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libstable) ++install_list_FILES("${headers_list}" include/psi4/libstable) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/thermo/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/thermo/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/thermo/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/thermo/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libthermo) ++install_list_FILES("${headers_list}" include/psi4/libthermo) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt2/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt2/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt2/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt2/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libtransqt2) ++install_list_FILES("${headers_list}" include/psi4/libtransqt2) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/transqt/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libtransqt) ++install_list_FILES("${headers_list}" include/psi4/libtransqt) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/lib3index/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/lib3index/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/lib3index/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/lib3index/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/lib3index) ++install_list_FILES("${headers_list}" include/psi4/lib3index) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libchkpt/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libchkpt/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libchkpt/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libchkpt/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libchkpt) ++install_list_FILES("${headers_list}" include/psi4/libchkpt) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libciomr/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libciomr/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libciomr/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libciomr/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libciomr) ++install_list_FILES("${headers_list}" include/psi4/libciomr) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libcubeprop/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libcubeprop/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libcubeprop/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libcubeprop/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libcubeprop) ++install_list_FILES("${headers_list}" include/psi4/libcubeprop) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdiis/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdiis/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdiis/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdiis/CMakeLists.txt 2015-09-06 13:48:26.471358270 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdiis) ++install_list_FILES("${headers_list}" include/psi4/libdiis) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdisp/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdisp/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdisp/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdisp/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdisp) ++install_list_FILES("${headers_list}" include/psi4/libdisp) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdpd/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdpd/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdpd/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libdpd/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libdpd) ++install_list_FILES("${headers_list}" include/psi4/libdpd) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libefp_solver/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libefp_solver/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libefp_solver/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libefp_solver/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libefp_solver) ++install_list_FILES("${headers_list}" include/psi4/libefp_solver) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfock/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfock/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfock/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfock/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -42,4 +42,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libfock) ++install_list_FILES("${headers_list}" include/psi4/libfock) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfunctional/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfunctional/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfunctional/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libfunctional/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libfunctional) ++install_list_FILES("${headers_list}" include/psi4/libfunctional) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libiwl/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libiwl/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libiwl/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libiwl/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libiwl) ++install_list_FILES("${headers_list}" include/psi4/libiwl) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt.includeinst 2015-09-06 13:48:26.465358158 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -39,4 +39,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libmints) ++install_list_FILES("${headers_list}" include/psi4/libmints) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmoinfo/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmoinfo/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmoinfo/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmoinfo/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libmoinfo) ++install_list_FILES("${headers_list}" include/psi4/libmoinfo) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/liboptions/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/liboptions/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/liboptions/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/liboptions/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/liboptions) ++install_list_FILES("${headers_list}" include/psi4/liboptions) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libparallel/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libparallel/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libparallel/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libparallel/CMakeLists.txt 2015-09-06 13:48:26.472358289 -0700 +@@ -43,4 +43,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libparallel) ++install_list_FILES("${headers_list}" include/psi4/libparallel) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libplugin/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libplugin/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libplugin/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libplugin/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libplugin) ++install_list_FILES("${headers_list}" include/psi4/libplugin) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsi4util/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsi4util/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsi4util/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsi4util/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -38,4 +38,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libpsi4util) ++install_list_FILES("${headers_list}" include/psi4/libpsi4util) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsio/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsio/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsio/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsio/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libpsio) ++install_list_FILES("${headers_list}" include/psi4/libpsio) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsipcm/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsipcm/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsipcm/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libpsipcm/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -90,4 +90,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libpsipcm) ++install_list_FILES("${headers_list}" include/psi4/libpsipcm) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libqt/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libqt/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libqt/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libqt/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libqt) ++install_list_FILES("${headers_list}" include/psi4/libqt) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libsapt_solver/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libsapt_solver/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libsapt_solver/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libsapt_solver/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libsapt_solver) ++install_list_FILES("${headers_list}" include/psi4/libsapt_solver) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libscf_solver/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libscf_solver/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libscf_solver/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libscf_solver/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -44,4 +44,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libscf_solver) ++install_list_FILES("${headers_list}" include/psi4/libscf_solver) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libthce/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libthce/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libthce/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libthce/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libthce) ++install_list_FILES("${headers_list}" include/psi4/libthce) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libtrans/CMakeLists.txt.includeinst psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libtrans/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libtrans/CMakeLists.txt.includeinst 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libtrans/CMakeLists.txt 2015-09-06 13:48:26.473358307 -0700 +@@ -37,4 +37,4 @@ if(BUILD_CUSTOM_BOOST) + endif() + + # Sets install directory for all the headers in the list +-install_list_FILES("${headers_list}" include/libtrans) ++install_list_FILES("${headers_list}" include/psi4/libtrans) diff --git a/psi4-systemboost.patch b/psi4-systemboost.patch index 497a5f2..f133d82 100644 --- a/psi4-systemboost.patch +++ b/psi4-systemboost.patch @@ -1,54 +1,12 @@ -diff -up psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/configure.ac.systemboost psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/configure.ac ---- psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/configure.ac.systemboost 2014-05-13 01:23:09.168802182 +0300 -+++ psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/configure.ac 2014-05-13 01:24:03.023429871 +0300 -@@ -615,28 +615,8 @@ BOOST_LDFLAGS='' - AC_SEARCH_LIBS(clock_gettime, rt, BOOST_LDFLAGS='-lrt') - - if test "x${have_boost}" == "x0"; then -- HAVE_BOOST=0 -- AC_SUBST(HAVE_BOOST) -- -- BOOSTVER='boost_1_55_0' -- AC_SUBST(BOOSTVER) -- -- BOOST_CPPFLAGS='-I$(top_objdir)/boost/$(BOOSTVER)' -- -- BOOST_FILESYSTEM_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_filesystem.a' -- BOOST_PYTHON_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_python.a' -- BOOST_REGEX_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_regex.a' -- BOOST_SERIALIZATION_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_serialization.a' -- BOOST_SYSTEM_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_system.a' -- BOOST_THREAD_LIB='../../../boost/$(BOOSTVER)/bin.v2/libs/libboost_thread.a' -- -- AC_SUBST(BOOST_CPPFLAGS) -- AC_SUBST(BOOST_LDFLAGS) -- AC_SUBST(BOOST_FILESYSTEM_LIB) -- AC_SUBST(BOOST_REGEX_LIB) -- AC_SUBST(BOOST_SERIALIZATION_LIB) -- AC_SUBST(BOOST_SYSTEM_LIB) -- AC_SUBST(BOOST_THREAD_LIB) -+ echo "Boost is too old." -+ exit 1 - fi - - PSICPPFLAGS='-I. $(BOOST_CPPFLAGS) -I$(top_objdir)/include -I$(top_srcdir)/include -I$(top_srcdir)/src/lib -I$(top_objdir)/src/lib' -@@ -891,7 +871,6 @@ FFLAGS='$(FDBG) $(FOPT) $(FOTH) $(FSTATI - ######## - - AC_CONFIG_FILES([ -- boost/Makefile - include/Makefile - Makefile lib/Makefile src/Makefile - src/lib/Makefile src/lib/MakeRules src/lib/MakeVars -diff -up psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/Makefile.in.systemboost psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/Makefile.in ---- psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/Makefile.in.systemboost 2014-05-13 01:23:09.171802105 +0300 -+++ psi4public-0c7ea92851e44ea5df8ac181200c6a277651a8fa/Makefile.in 2014-05-13 01:24:27.363810219 +0300 -@@ -4,7 +4,7 @@ SHELL = /bin/sh - - default: all - --subdirs = boost lib include src -+subdirs = lib include src - - top_srcdir = @top_srcdir@ - srcdir = @srcdir@ +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/cmake/ConfigBoost.cmake.orig psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/cmake/ConfigBoost.cmake +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/cmake/ConfigBoost.cmake.orig 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/cmake/ConfigBoost.cmake 2015-09-06 12:21:32.450430299 -0700 +@@ -11,7 +11,7 @@ list(APPEND needed_components filesystem + if(ENABLE_MPI) + list(APPEND needed_components mpi) + endif() +-set(Boost_USE_STATIC_LIBS ON) ++set(Boost_USE_STATIC_LIBS OFF) + set(Boost_USE_MULTITHREADED ON) + set(Boost_USE_STATIC_RUNTIME OFF) + if(ENABLE_UNIT_TESTS OR ENABLE_PCMSOLVER) diff --git a/psi4-systemlibint.patch b/psi4-systemlibint.patch index 9ae211f..57e134e 100644 --- a/psi4-systemlibint.patch +++ b/psi4-systemlibint.patch @@ -1,85 +1,35 @@ -diff -up psi4.0b5/configure.ac.systemlibint psi4.0b5/configure.ac ---- psi4.0b5/configure.ac.systemlibint 2013-07-02 00:11:05.000000000 +0300 -+++ psi4.0b5/configure.ac 2013-08-16 13:28:03.325520309 +0300 -@@ -88,32 +88,6 @@ CXXOTH='' AC_SUBST(CXXOTH) - CXXINC='$(CPPFLAGS) $(PSICPPFLAGS) $(PYTHON_INCLUDE)' AC_SUBST(CXXINC) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt.systemlibint psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt.systemlibint 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/bin/psi4/CMakeLists.txt 2015-09-06 12:30:12.275738359 -0700 +@@ -52,6 +52,7 @@ list(APPEND + "${PYTHON_LIBRARIES}" "${EXTERNAL_LIBS}" + "${LIBUTIL_LIBRARIES}" "${LIBDL_LIBRARIES}" + "${LIBRT_LIBRARIES}" "${LIBM_LIBRARIES}" ++ "-lderiv -lint" + ) - ######## --## PSI-specific options --######## -- --# Options for libint --LIBINT_NEW_AM=10 --LIBINT_OPT_AM=5 --AC_ARG_WITH(max-am-eri,[ --with-max-am-eri maximum AM in ERIs],[ -- LIBINT_NEW_AM=$((2*($withval))) -- LIBINT_OPT_AM=$(($withval)) --]) --AC_SUBST(LIBINT_NEW_AM) --AC_SUBST(LIBINT_OPT_AM) -- --# Options for libderiv --LIBDERIV_NEW_AM1=8 --AC_ARG_WITH(max-am-deriv1,[ --with-max-am-deriv1 maximum AM in ERI first derivatives],[ -- LIBDERIV_NEW_AM1=$((2*($withval))) --]) --AC_SUBST(LIBDERIV_NEW_AM1) --LIBDERIV_NEW_AM2=6 --AC_ARG_WITH(max-am-deriv2,[ --with-max-am-deriv2 maximum AM in ERI second derivatives],[ -- LIBDERIV_NEW_AM2=$((2*($withval))) --]) --AC_SUBST(LIBDERIV_NEW_AM2) -- --######## - ## Check for programs - ######## + # Executable psi4 +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/CMakeLists.txt.systemlibint psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/CMakeLists.txt.systemlibint 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/CMakeLists.txt 2015-09-06 12:28:03.539437168 -0700 +@@ -11,8 +11,6 @@ add_subdirectory(libmolecule) + add_subdirectory(libfunctional) + add_subdirectory(libiwl) + add_subdirectory(libmints) +-add_subdirectory(libderiv) +-add_subdirectory(libint) + add_subdirectory(libmoinfo) + add_subdirectory(liboptions) + add_subdirectory(libparallel) +diff -up psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt.systemlibint psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt +--- psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt.systemlibint 2015-08-05 10:37:14.000000000 -0700 ++++ psi4public-1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5/src/lib/libmints/CMakeLists.txt 2015-09-06 12:28:48.611242835 -0700 +@@ -33,8 +33,6 @@ write_to_cloc_list("${to_count}") -@@ -944,13 +918,7 @@ AC_CONFIG_FILES([ - src/lib/libqt/Makefile - src/lib/libciomr/Makefile - src/lib/libchkpt/Makefile -- src/lib/libderiv/Makefile -- src/lib/libderiv/MakeVars -- src/lib/libderiv/libderiv_config.h - src/lib/libdiis/Makefile -- src/lib/libint/Makefile -- src/lib/libint/MakeVars -- src/lib/libint/libint_config.h - src/lib/liboptions/Makefile - src/lib/libmoinfo/Makefile - src/lib/libmints/Makefile -diff -up psi4.0b5/src/bin/psi4/Makefile.in.systemlibint psi4.0b5/src/bin/psi4/Makefile.in ---- psi4.0b5/src/bin/psi4/Makefile.in.systemlibint 2013-07-02 00:11:05.000000000 +0300 -+++ psi4.0b5/src/bin/psi4/Makefile.in 2013-08-16 13:28:46.039429124 +0300 -@@ -11,7 +11,7 @@ LDLIBS += $(LAPACK) $(BLAS) $(BOOST_FILE - CXXINC += -DINSTALLEDPSIDATADIR=\"$(pkgdatadir)\" - - # gfortranbegin contains main, so we can't link it in or we'll get a linker freakout --FILTEREDLDLIBS = $(filter-out -lgfortranbegin,$(LDLIBS)) -+FILTEREDLDLIBS = $(filter-out -lgfortranbegin,$(LDLIBS)) -lint -lderiv - - # NOTE: Keep PSI_parallel last in the PSI library list (but before boost). It contains the fprintf override. - PSILIBS = \ -@@ -23,7 +23,7 @@ PSILIBS = \ - -lPSI_functional -lPSI_disp -lPSI_thce -lPSI_3index -lPSI_mints_deriv -lPSI_optking -lPSI_findif \ - -lPSI_mints -lPSI_trans -lPSI_dpd -lPSI_chkpt -lPSI_iwl -lPSI_psio -lPSI_qt \ - -lPSI_ciomr -lPSI_options -lPSI_moinfo -lPSI_util \ ---lPSI_stable -lPSI_deriv -lPSI_scfgrad -lPSI_int -lPSI_util -lPSI_diis \ -+-lPSI_stable -lPSI_scfgrad -lPSI_util -lPSI_diis \ - -lPSI_plugin -lPSI_parallel - - ifeq ($(HAVE_MADNESS),1) -diff -up psi4.0b5/src/lib/Makefile.in.systemlibint psi4.0b5/src/lib/Makefile.in ---- psi4.0b5/src/lib/Makefile.in.systemlibint 2013-08-16 13:28:03.326520283 +0300 -+++ psi4.0b5/src/lib/Makefile.in 2013-08-16 13:29:22.806489111 +0300 -@@ -1,9 +1,7 @@ - - .PHONY: default all install depend clean dclean targetclean - --subdirs = libint \ -- libderiv \ -- libciomr \ -+subdirs = libciomr \ - libchkpt \ - libqt \ - libpsio \ + # Build static library + add_library(mints STATIC ${sources_list} ${headers_list}) +-# Specify dependencies for the library (if any) +-add_dependencies(mints int deriv) + set_property(GLOBAL APPEND PROPERTY LIBLIST mints) + if(BUILD_CUSTOM_BOOST) + add_dependencies(mints custom_boost) diff --git a/psi4.spec b/psi4.spec index d07203a..400c21d 100644 --- a/psi4.spec +++ b/psi4.spec @@ -1,5 +1,5 @@ # Run tests? -%bcond_with tests +%bcond_without tests # git snapshot %global commit 1881450f30d3bd2ac91dbc4fc6a4eaa5c9f03ae5 @@ -23,10 +23,12 @@ Source0: https://github.com/psi4/psi4public/archive/%{commit}/psi4public- Patch0: psi4-systemlibint.patch # Force system boost Patch1: psi4-systemboost.patch +# Use custom version instead of getting it from git +Patch2: psi4-gitversion.patch +# Install headers into psi4 specific directory +Patch3: psi4-includeinst.patch -BuildRequires: autoconf -BuildRequires: automake - +BuildRequires: cmake BuildRequires: atlas-devel BuildRequires: bison-devel BuildRequires: boost-devel >= 1.46 @@ -37,6 +39,9 @@ BuildRequires: libint-devel >= 1.1.5-3 BuildRequires: perl-devel BuildRequires: python2-devel >= 2.6 BuildRequires: numpy +BuildRequires: gsl-devel +BuildRequires: hdf5-devel +BuildRequires: zlib-devel # For the documentation BuildRequires: python-sphinx >= 1.1 @@ -55,6 +60,9 @@ Requires: numpy # Libint can break the api between releases Requires: libint(api)%{?_isa} = %{_libint_apiversion} +# Don't have documentation in the cmake version yet.. +Obsoletes: psi4-doc < 1:0.3-1 + %description PSI4 is an open-source suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations of a variety of @@ -80,67 +88,57 @@ Provides: %{name}-static = %{version}-%{release} %description devel This package contains static libraries and development headers for psi. - -%package doc -Summary: User's and programmer's manuals for psi -Group: Documentation -%if 0%{?fedora}>10 || 0%{?rhel} > 5 -BuildArch: noarch -%endif - -%description doc -This package contains the user's and programmer's manual for psi. - %prep %setup -q -n psi4public-%{commit} %patch0 -p1 -b .systemlibint %patch1 -p1 -b .systemboost - +%patch2 -p1 -b .gitversion +%patch3 -p1 -b .includeinst # Get rid of bundled boost rm -rf boost/ # Get rid of bundled libint rm -rf src/lib/{libint,libderiv}/ -# Get rid of bundled madness -rm -rf madness/ + +# Generate git version header +cat > src/bin/psi4/gitversion.h <20 ---with-blas='-L%{_libdir}/atlas -ltatlas' --with-lapack='-L%{_libdir}/atlas -ltatlas' -%else ---with-blas='-L%{_libdir}/atlas -lf77blas -latlas' --with-lapack='-L%{_libdir}/atlas -llapack -lcblas -latlas' -%endif -cd .. +%cmake .. \ + -DENABLE_DKH=ON -DPCMSOLVER=ON -DENABLE_OMP=ON -DENABLE_MPI=OFF \ + -DEXPLICIT_BLAS_LIB='%{_libdir}/atlas/libtatlas.so' -DENABLE_AUTO_BLAS=OFF \ + -DEXPLICIT_LAPACK_LIB='%{_libdir}/atlas/libtatlas.so' -DENABLE_AUTO_LAPACK=OFF \ + -DCMAKE_Fortran_COMPILER=gfortran -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ \ + -DCUSTOM_C_FLAGS='%{optflags} -DNDEBUG' -DCUSTOM_CXX_FLAGS='%{optflags} -std=c++11 -DNDEBUG' \ + -DCUSTOM_Fortran_FLAGS='-I%{_libdir}/gfortran/modules %{optflags} -DNDEBUG' \ + -DCMAKE_BUILD_TYPE=Release # Build program -make -C objdir-%{_target_platform} %{?_smp_mflags} -# Build documentation -make -C objdir-%{_target_platform} doc +make %{?_smp_mflags} %install make -C objdir-%{_target_platform} install DESTDIR=%{buildroot} - # Install libraries, too. -mkdir -p %{buildroot}%{_libdir} -install -p -m 644 objdir-%{_target_platform}/lib/*.a %{buildroot}%{_libdir}/ - -# .. and the documentation -make -C objdir-%{_target_platform} install-doc DESTDIR=%{buildroot} -# .. but move it back from the buildroot -mv %{buildroot}%{_docdir}/html htmldoc +mkdir -p %{buildroot}%{_libdir}/psi4 +install -p -m 644 objdir-%{_target_platform}/lib/*.a %{buildroot}%{_libdir}/psi4/ %if %{with tests} %check -# Full blown tests - take a long time to complete -#make -C objdir-%{_target_platform} tests -make -C objdir-%{_target_platform} quicktests +# Run quick tests +cd objdir-%{_target_platform}/test +ctest -L quicktests %endif %files @@ -154,14 +152,11 @@ make -C objdir-%{_target_platform} quicktests %files devel %doc COPYING LICENSE %{_includedir}/psi4/ -%{_libdir}/libPSI_*.a - -%files doc -%doc COPYING LICENSE htmldoc/* +%{_libdir}/psi4/ %changelog -* Sun Aug 30 2015 Susi Lehtola - 1:0.3-1.1881450fgit -- Switch to using github release tags. +* Sun Sep 06 2015 Susi Lehtola - 1:0.3-1.1881450fgit +- Update to newest release, switched to using github release tags. * Wed Jul 29 2015 Fedora Release Engineering - 4.0-0.21.c7deee9git.1 - Rebuilt for https://fedoraproject.org/wiki/Changes/F23Boost159