Changeset aae63a for ThirdParty/mpqc_open

Timestamp:

Mar 2, 2017, 12:28:36 PM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_levmar, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

8bb40e1

Parents:

e2a57d

git-author:

Frederik Heber <heber@…> (02/08/17 21:37:46)

git-committer:

Frederik Heber <heber@…> (03/02/17 12:28:36)

Message:

Fixed f77sym.h generation.

Location:

ThirdParty/mpqc_open/src/lib

Files:

• Makefile.am (modified) (1 diff)
• chemistry/qc/basis/Makefile.am (modified) (2 diffs)
• chemistry/qc/mbptr12/Makefile.am (modified) (3 diffs)
• math/scmat/Makefile.am (modified) (3 diffs)

ThirdParty/mpqc_open/src/lib/Makefile.am

@@ -10 +10 @@
 bin_PROGRAMS =
 EXTRA_DIST =
+
+# needed for generating f77sym.h
+MKF77SYM= $(PERL) $(top_builddir)/bin/mkf77sym.pl
 
 if CONDCCA

ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/Makefile.am

@@ -46 +46 @@
         chemistry/qc/basis/transform.h
 
+BUILT_SOURCES += $(LIBSCBASISBUILTHEADERS)
+
+chemistry/qc/basis/f77sym.h: chemistry/qc/basis/f77sym.in
+        $(MKF77SYM) $< $@
 
 lib_LTLIBRARIES +=
@@ -55 +59 @@
 
 nobase_libSCbasis_la_include_HEADERS = ${LIBSCBASISHEADERS}
+
+EXTRA_DIST += chemistry/qc/basis/f77sym.in
 
 ## Define the source file list for the "libexample-@MPQC_API_VERSION@.la"

ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/Makefile.am

@@ -40 +40 @@
         chemistry/qc/mbptr12/vxb_eval_info.cc
 
+LIBSCMBPTR12BUILTHEADERS = \
+        chemistry/qc/mbptr12/f77sym.h
 
 LIBSCMBPTR12HEADERS = \
@@ -69 +71 @@
         chemistry/qc/mbptr12/vxb_eval_info.h
 
+BUILT_SOURCES += $(LIBSCMBPTR12BUILTHEADERS)
+
+chemistry/qc/mbptr12/f77sym.h: chemistry/qc/mbptr12/f77sym.in
+        $(MKF77SYM) $< $@
 
 lib_LTLIBRARIES +=
@@ -78 +84 @@
 
 nobase_libSCmbptr12_la_include_HEADERS = ${LIBSCMBPTR12HEADERS}
+
+EXTRA_DIST += $(LIBSCMBPTR12BUILTHEADERS)
 
 ## Define the source file list for the "libexample-@MPQC_API_VERSION@.la"

ThirdParty/mpqc_open/src/lib/math/scmat/Makefile.am

@@ -36 +36 @@
         math/scmat/vector3_i.cc
 
+LIBSCSCMATBUILTHEADERS = \
+        math/scmat/f77sym.h
 
 LIBSCSCMATHEADERS = \
@@ -60 +62 @@
         math/scmat/vector3_i.h
 
+BUILT_SOURCES += $(LIBSCSCMATBUILTHEADERS)
+
+math/scmat/f77sym.h: math/scmat/f77sym.in
+        $(MKF77SYM) $< $@
 
 lib_LTLIBRARIES +=
@@ -69 +75 @@
 
 nobase_libSCscmat_la_include_HEADERS = ${LIBSCSCMATHEADERS}
+
+EXTRA_DIST += $(LIBSCSCMATBUILTHEADERS)
 
 ## Define the source file list for the "libexample-@MPQC_API_VERSION@.la"