# # ChangeLog for ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am # # Generated by Trac 1.4.4 # Apr 17, 2025, 2:18:30 PM Thu, 09 Mar 2017 09:43:23 GMT Frederik Heber [fbf005] * Makefile.am (modified) * ThirdParty/Makefile.am (modified) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (modified) * ThirdParty/mpqc_open/src/bin/mpqc/mpqc.cc (modified) * ThirdParty/mpqc_open/src/bin/mpqc/mpqc.h (added) * ThirdParty/mpqc_open/src/bin/mpqc/mpqc_extract.h (added) * ThirdParty/mpqc_open/src/bin/mpqc/mpqc_extract_dummy.cc (added) * ThirdParty/mpqc_open/src/bin/mpqc/mpqc_main.cc (added) * configure.ac (modified) * src/Jobs/MPQCJob_Work.cpp (modified) * src/Jobs/Makefile.am (modified) * src/Jobs/mpqc_extract.cc (added) * src/Makefile.am (modified) * src/poolworker.cpp (modified) * tests/Calculations/molecuilder_mpqc.in (deleted) * tests/Calculations/molecuilder_poolworker.in (added) * tests/Calculations/testsuite-calculations-jobmarket-1_2-dimethoxyethane.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-1_2-dimethylbenzene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-2-methylcyclohexanone.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-N_N-dimethylacetamide.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-anthracene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-benzene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-cholesterol.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-coronene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-cycloheptane.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-dimethyl_bromomalonate.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-glucose.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-heptan.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-isoleucine.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-mpqc.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-naphthalene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-neohexane.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-phenanthrene.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-proline.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-putrescine.at (modified) * tests/Calculations/testsuite-calculations-jobmarket-tartaric_acid.at (modified) * tests/CodeChecks/testsuite-memdebug.at (modified) * tests/Examples/PartialChargeFitting/testsuite-examples-partialchargefitting-h2o.at (modified) * tests/Examples/Simple/testsuite-examples-simple-h2o.at (modified) * tests/Examples/molecuilder_mpqc.in (deleted) * tests/Examples/molecuilder_poolworker.in (added) * tests/integration/molecuilder_mpqc.in (deleted) * tests/integration/molecuilder_poolworker.in (added) * tests/integration/testsuite-integration-mpqc-jobs.at (modified) * tests/integration/testsuite-integration-vmg-jobs.at (modified) HUGE: Extracted libmolecuilder_mpqc that is now linked to poolworker. ... Thu, 02 Mar 2017 12:28:37 GMT Frederik Heber [4f20e7] * ThirdParty/mpqc_open/Makefile.am (modified) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/misc/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/Makefile.am (modified) * tests/integration/Makefile.am (modified) Added missing files to EXTRA_DIST. Thu, 02 Mar 2017 12:28:37 GMT Frederik Heber [0035ea] * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (modified) * configure.ac (modified) * tests/integration/molecuilder_mpqc.in (added) * tests/integration/testsuite-integration-mpqc-jobs.at (modified) Renamed mpqc to molecuilder_mpqc to avoid install overlaps. - ... Thu, 02 Mar 2017 12:28:37 GMT Frederik Heber [6b1a6a] * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (modified) Fixed mpqc compilation and linking. Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber [5b2946] * ThirdParty/mpqc_open/.gitignore (modified) * ThirdParty/mpqc_open/AUTHORS (added) * ThirdParty/mpqc_open/INSTALL (added) * ThirdParty/mpqc_open/Makefile (deleted) * ThirdParty/mpqc_open/Makefile.am (added) * ThirdParty/mpqc_open/NEWS (added) * ThirdParty/mpqc_open/aclocal.m4 (deleted) * ThirdParty/mpqc_open/bin/Makefile (deleted) * ThirdParty/mpqc_open/bin/class2tex (deleted) * ThirdParty/mpqc_open/bin/config.guess (deleted) * ThirdParty/mpqc_open/bin/config.sub (deleted) * ThirdParty/mpqc_open/bin/convertbasis.pl (deleted) * ThirdParty/mpqc_open/bin/getnwbas.pl (deleted) * ThirdParty/mpqc_open/bin/incinstall (deleted) * ThirdParty/mpqc_open/bin/install-sh (deleted) * ThirdParty/mpqc_open/bin/ltmain.sh (deleted) * ThirdParty/mpqc_open/bin/parsenwbas.pl (deleted) * ThirdParty/mpqc_open/bin/rmdotdot (deleted) * ThirdParty/mpqc_open/bin/runc++ (deleted) * ThirdParty/mpqc_open/bin/sc-config.dox (deleted) * ThirdParty/mpqc_open/bin/sc-config.in (deleted) * ThirdParty/mpqc_open/bin/sc-libtool.dox (deleted) * ThirdParty/mpqc_open/bin/sc-mkf77sym.dox (deleted) * ThirdParty/mpqc_open/bootstrap (added) * ThirdParty/mpqc_open/configure (deleted) * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/m4/cca.m4 (added) * ThirdParty/mpqc_open/src/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/molrender/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/molrender/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/molrender/main.cc (deleted) * ThirdParty/mpqc_open/src/bin/molrender/molrender.dox (deleted) * ThirdParty/mpqc_open/src/bin/molrender/molrender.in (deleted) * ThirdParty/mpqc_open/src/bin/molrender/tkmolrender.in (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (added) * ThirdParty/mpqc_open/src/bin/mpqc/ccarun.in (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/ccarunproc (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/scdirlist.h (added) * ThirdParty/mpqc_open/src/bin/scls/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/scls/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/scls/scls.cc (deleted) * ThirdParty/mpqc_open/src/bin/scls/scls.dox (deleted) * ThirdParty/mpqc_open/src/bin/scpr/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/scpr/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/scpr/scpr.cc (deleted) * ThirdParty/mpqc_open/src/bin/scpr/scpr.dox (deleted) * ThirdParty/mpqc_open/src/lib/Makefile (deleted) * ThirdParty/mpqc_open/src/lib/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile (deleted) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (modified) configure.ac working, mpqc compiles, linking fails.