ports/125490: [NEW PORT]devel/py-cclib:Parsers And Algorithms For Computational Chemistry

Wen heping wenheping at gmail.com
Fri Jul 11 00:30:13 UTC 2008


>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 at 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 at dirrm %%PYTHON_SITELIBDIR%%/cclib/parser
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/progress
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/method
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/test
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA
X at dirrm %%PYTHON_SITELIBDIR%%/cclib/data
X at 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 at gmail.com>
X#
X# $FreeBSD$
X#
X
XPORTNAME=	cclib
XPORTVERSION=	0.9
XCATEGORIES=	devel python
XMASTER_SITES=	SF
XPKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
X
XMAINTAINER=	wenheping at 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:



More information about the freebsd-ports-bugs mailing list