Date: Fri, 11 Jul 2008 00:26:56 GMT From: Wen heping <wenheping@gmail.com> To: freebsd-gnats-submit@FreeBSD.org Subject: ports/125490: [NEW PORT]devel/py-cclib:Parsers And Algorithms For Computational Chemistry Message-ID: <200807110026.m6B0QuIs095003@www.freebsd.org> Resent-Message-ID: <200807110030.m6B0UDEJ052480@freefall.freebsd.org>
next in thread | raw e-mail | index | archive | help
>Number: 125490 >Category: ports >Synopsis: [NEW PORT]devel/py-cclib:Parsers And Algorithms For Computational Chemistry >Confidential: no >Severity: non-critical >Priority: low >Responsible: freebsd-ports-bugs >State: open >Quarter: >Keywords: >Date-Required: >Class: change-request >Submitter-Id: current-users >Arrival-Date: Fri Jul 11 00:30:12 UTC 2008 >Closed-Date: >Last-Modified: >Originator: Wen heping >Release: FreeBSD 7.0 release >Organization: ChangAn Middle School >Environment: FreeBSD tinderbox.wenjing.com 7.0-RELEASE FreeBSD 7.0-RELEASE #0: Sun Feb 24 19:59:52 UTC 2008 root@logan.cse.buffalo.edu:/usr/obj/usr/src/sys/GENERIC i386 >Description: Py-cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. The current version, cclib 0.9, parses output files from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar, Molpro, ORCA and PC GAMESS. WWW: http://cclib.sourceforge.net/ >How-To-Repeat: >Fix: Patch attached with submission follows: # This is a shell archive. Save it in a file, remove anything before # this line, and then unpack it by entering "sh file". Note, it may # create directories; files and directories will be owned by you and # have default permissions. # # This archive contains: # # py-cclib # py-cclib/pkg-plist # py-cclib/pkg-descr # py-cclib/distinfo # py-cclib/Makefile # py-cclib/files # py-cclib/files/patch-setup.py # echo c - py-cclib mkdir -p py-cclib > /dev/null 2>&1 echo x - py-cclib/pkg-plist sed 's/^X//' >py-cclib/pkg-plist << 'END-of-py-cclib/pkg-plist' Xbin/ccget Xbin/cda X%%PYTHON_SITELIBDIR%%/cclib/data.py X%%PYTHON_SITELIBDIR%%/cclib/__init__.py X%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.py X%%PYTHON_SITELIBDIR%%/cclib/parser/utils.py X%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.py X%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyc X%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyo X%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyo X%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.py X%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.py X%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.py X%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.py X%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyc X%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyc X%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyc X%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyc X%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyo X%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyo X%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyo X%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.py X%%PYTHON_SITELIBDIR%%/cclib/method/cda.py X%%PYTHON_SITELIBDIR%%/cclib/method/cspa.py X%%PYTHON_SITELIBDIR%%/cclib/method/density.py X%%PYTHON_SITELIBDIR%%/cclib/method/fragments.py X%%PYTHON_SITELIBDIR%%/cclib/method/lpa.py X%%PYTHON_SITELIBDIR%%/cclib/method/mbo.py X%%PYTHON_SITELIBDIR%%/cclib/method/mpa.py X%%PYTHON_SITELIBDIR%%/cclib/method/opa.py X%%PYTHON_SITELIBDIR%%/cclib/method/population.py X%%PYTHON_SITELIBDIR%%/cclib/method/volume.py X%%PYTHON_SITELIBDIR%%/cclib/method/__init__.py X%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/density.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/population.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyc X%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/density.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/population.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyo X%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyo X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.py X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.py X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.py X%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.py X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyc X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyc X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyc X%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyc X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyo X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyo X%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyo X%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.py X%%PYTHON_SITELIBDIR%%/cclib/test/methods.py X%%PYTHON_SITELIBDIR%%/cclib/test/testall.py X%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.py X%%PYTHON_SITELIBDIR%%/cclib/test/testCC.py X%%PYTHON_SITELIBDIR%%/cclib/test/testcda.py X%%PYTHON_SITELIBDIR%%/cclib/test/testCI.py X%%PYTHON_SITELIBDIR%%/cclib/test/testCore.py X%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.py X%%PYTHON_SITELIBDIR%%/cclib/test/testMP.py X%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.py X%%PYTHON_SITELIBDIR%%/cclib/test/testSP.py X%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.py X%%PYTHON_SITELIBDIR%%/cclib/test/testTD.py X%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.py X%%PYTHON_SITELIBDIR%%/cclib/test/testvib.py X%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyc X%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyo X%%PYTHON_SITELIBDIR%%/cclib/test/testdata X%%PYTHON_SITELIBDIR%%/cclib/data.pyc X%%PYTHON_SITELIBDIR%%/cclib/__init__.pyc X%%PYTHON_SITELIBDIR%%/cclib/data.pyo X%%PYTHON_SITELIBDIR%%/cclib/__init__.pyo X%%PYTHON_SITELIBDIR%%/cclib/ANNOUNCE X%%PYTHON_SITELIBDIR%%/cclib/CHANGELOG X%%PYTHON_SITELIBDIR%%/cclib/INSTALL X%%PYTHON_SITELIBDIR%%/cclib/LICENSE X%%PYTHON_SITELIBDIR%%/cclib/README X%%PYTHON_SITELIBDIR%%/cclib/THANKS X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/mo_sp.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/mo_sp.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/NH3.adfin X%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/NH3.adfout X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccd.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccd.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_mp2.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_mp2.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/CN_ir.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/CN_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp2.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp2.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp3.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp3.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.inp X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.out X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.in X%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/C_bigbasis.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/C_bigbasis.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_gopt.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_gopt.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_ir.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_raman.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_raman.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.gjf X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.log X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.com X%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.log X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.out X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.in X%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.log X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.log X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.com X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.out X%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/metadata.txt X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.out X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.inp X%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.out X@dirrm %%PYTHON_SITELIBDIR%%/cclib/parser X@dirrm %%PYTHON_SITELIBDIR%%/cclib/progress X@dirrm %%PYTHON_SITELIBDIR%%/cclib/method X@dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge X@dirrm %%PYTHON_SITELIBDIR%%/cclib/test X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01 X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03 X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0 X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006 X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6 X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA X@dirrm %%PYTHON_SITELIBDIR%%/cclib/data X@dirrm %%PYTHON_SITELIBDIR%%/cclib END-of-py-cclib/pkg-plist echo x - py-cclib/pkg-descr sed 's/^X//' >py-cclib/pkg-descr << 'END-of-py-cclib/pkg-descr' XPy-cclib is an open source library, written Xin Python, for parsing and interpreting the Xresults of computational chemistry packages. XThe current version, cclib 0.9, parses output Xfiles from ADF, GAMESS (US), GAMESS-UK, Gaussian, XJaguar, Molpro, ORCA and PC GAMESS. X XWWW: http://cclib.sourceforge.net/ END-of-py-cclib/pkg-descr echo x - py-cclib/distinfo sed 's/^X//' >py-cclib/distinfo << 'END-of-py-cclib/distinfo' XMD5 (cclib-0.9.tar.gz) = 436187c0f388285cb0a7f7b83fab827d XSHA256 (cclib-0.9.tar.gz) = 2ed8f8b0c5dd76d663e906bca07518f113edd7bf3f684259af64acf70da11866 XSIZE (cclib-0.9.tar.gz) = 4887705 END-of-py-cclib/distinfo echo x - py-cclib/Makefile sed 's/^X//' >py-cclib/Makefile << 'END-of-py-cclib/Makefile' X# New ports collection makefile for: py-cclib X# Date created: 09 July 2008 X# Whom: Wen Heping <wenheping@gmail.com> X# X# $FreeBSD$ X# X XPORTNAME= cclib XPORTVERSION= 0.9 XCATEGORIES= devel python XMASTER_SITES= SF XPKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} X XMAINTAINER= wenheping@gmail.com XCOMMENT= Parsers And Algorithms For Computational Chemistry X XUSE_PYTHON= yes XUSE_PYDISTUTILS= yes X X.include <bsd.port.mk> END-of-py-cclib/Makefile echo c - py-cclib/files mkdir -p py-cclib/files > /dev/null 2>&1 echo x - py-cclib/files/patch-setup.py sed 's/^X//' >py-cclib/files/patch-setup.py << 'END-of-py-cclib/files/patch-setup.py' X--- setup.py.orig 2008-07-10 04:15:26.000000000 +0800 X+++ setup.py 2008-07-10 04:15:53.000000000 +0800 X@@ -45,8 +45,8 @@ X test_prefix = cclib_prefix + '/test' X data_prefix = cclib_prefix + '/data' X cclib_datafiles = [ (cclib_prefix, ['ANNOUNCE', 'CHANGELOG', 'INSTALL', 'LICENSE', 'README', 'THANKS']), X- (test_prefix, ['test/testdata']), X- (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])] X+ (test_prefix, ['test/testdata'])] X+# (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])] X for program in programs: X data_dirs = os.listdir('data/%s' %program) X for data_dir in data_dirs: END-of-py-cclib/files/patch-setup.py exit >Release-Note: >Audit-Trail: >Unformatted:
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?200807110026.m6B0QuIs095003>