6 files changed, 432 insertions, 0 deletions

diff --git a/devel/Makefile b/devel/Makefile
index 72e875388568..2a875feab82f 100644
--- a/devel/Makefile
+++ b/devel/Makefile
@@ -2040,6 +2040,7 @@
     SUBDIR += py-babel
     SUBDIR += py-bison
     SUBDIR += py-boto
+    SUBDIR += py-cclib
     SUBDIR += py-celementtree
     SUBDIR += py-cfgparse
     SUBDIR += py-cheetah
diff --git a/devel/py-cclib/Makefile b/devel/py-cclib/Makefile
new file mode 100644
index 000000000000..6d1dd403efcd
--- /dev/null
+++ b/devel/py-cclib/Makefile
@@ -0,0 +1,20 @@
+# New ports collection makefile for:	py-cclib
+# Date created:				09 July 2008
+# Whom:					Wen Heping <wenheping@gmail.com>
+#
+# $FreeBSD$
+#
+
+PORTNAME=	cclib
+PORTVERSION=	0.9
+CATEGORIES=	devel python
+MASTER_SITES=	SF
+PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
+
+MAINTAINER=	wenheping@gmail.com
+COMMENT=	Parsers And Algorithms For Computational Chemistry
+
+USE_PYTHON=	yes
+USE_PYDISTUTILS=	yes
+
+.include <bsd.port.mk>
diff --git a/devel/py-cclib/distinfo b/devel/py-cclib/distinfo
new file mode 100644
index 000000000000..f75302fbacf0
--- /dev/null
+++ b/devel/py-cclib/distinfo
@@ -0,0 +1,3 @@
+MD5 (cclib-0.9.tar.gz) = 436187c0f388285cb0a7f7b83fab827d
+SHA256 (cclib-0.9.tar.gz) = 2ed8f8b0c5dd76d663e906bca07518f113edd7bf3f684259af64acf70da11866
+SIZE (cclib-0.9.tar.gz) = 4887705
diff --git a/devel/py-cclib/files/patch-setup.py b/devel/py-cclib/files/patch-setup.py
new file mode 100644
index 000000000000..ca00e9aa1c32
--- /dev/null
+++ b/devel/py-cclib/files/patch-setup.py
@@ -0,0 +1,13 @@
+--- setup.py.orig	2008-07-10 04:15:26.000000000 +0800
++++ setup.py	2008-07-10 04:15:53.000000000 +0800
+@@ -45,8 +45,8 @@
+     test_prefix = cclib_prefix + '/test'
+     data_prefix = cclib_prefix + '/data'
+     cclib_datafiles = [ (cclib_prefix, ['ANNOUNCE', 'CHANGELOG', 'INSTALL', 'LICENSE', 'README', 'THANKS']),
+-                        (test_prefix, ['test/testdata']),
+-                        (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])]
++                        (test_prefix, ['test/testdata'])]
++#                        (data_prefix, ['data/regressionfiles.txt', 'data/wget.sh'])]
+     for program in programs:
+         data_dirs = os.listdir('data/%s' %program)
+         for data_dir in data_dirs:
diff --git a/devel/py-cclib/pkg-descr b/devel/py-cclib/pkg-descr
new file mode 100644
index 000000000000..caa72a928b86
--- /dev/null
+++ b/devel/py-cclib/pkg-descr
@@ -0,0 +1,6 @@
+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/
diff --git a/devel/py-cclib/pkg-plist b/devel/py-cclib/pkg-plist
new file mode 100644
index 000000000000..cca28fe3908d
--- /dev/null
+++ b/devel/py-cclib/pkg-plist
@@ -0,0 +1,389 @@
+bin/ccget
+bin/cda
+%%PYTHON_SITELIBDIR%%/cclib/data.py
+%%PYTHON_SITELIBDIR%%/cclib/__init__.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/utils.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.py
+%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyc
+%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/gamessukparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/gaussianparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/jaguarparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/logfileparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/molproparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/orcaparser.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/utils.pyo
+%%PYTHON_SITELIBDIR%%/cclib/parser/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.py
+%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.py
+%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.py
+%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.py
+%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyc
+%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyc
+%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyc
+%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyc
+%%PYTHON_SITELIBDIR%%/cclib/progress/qt4progress.pyo
+%%PYTHON_SITELIBDIR%%/cclib/progress/qtprogress.pyo
+%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyo
+%%PYTHON_SITELIBDIR%%/cclib/progress/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.py
+%%PYTHON_SITELIBDIR%%/cclib/method/cda.py
+%%PYTHON_SITELIBDIR%%/cclib/method/cspa.py
+%%PYTHON_SITELIBDIR%%/cclib/method/density.py
+%%PYTHON_SITELIBDIR%%/cclib/method/fragments.py
+%%PYTHON_SITELIBDIR%%/cclib/method/lpa.py
+%%PYTHON_SITELIBDIR%%/cclib/method/mbo.py
+%%PYTHON_SITELIBDIR%%/cclib/method/mpa.py
+%%PYTHON_SITELIBDIR%%/cclib/method/opa.py
+%%PYTHON_SITELIBDIR%%/cclib/method/population.py
+%%PYTHON_SITELIBDIR%%/cclib/method/volume.py
+%%PYTHON_SITELIBDIR%%/cclib/method/__init__.py
+%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/density.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/population.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyc
+%%PYTHON_SITELIBDIR%%/cclib/method/calculationmethod.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/cda.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/cspa.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/density.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/fragments.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/lpa.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/mbo.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/mpa.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/opa.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/population.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/volume.pyo
+%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.py
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.py
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.py
+%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.py
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyc
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyc
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyc
+%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyc
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2biopython.pyo
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2openbabel.pyo
+%%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyo
+%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.py
+%%PYTHON_SITELIBDIR%%/cclib/test/methods.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testall.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testCC.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testcda.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testCI.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testCore.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testMP.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testSP.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testTD.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.py
+%%PYTHON_SITELIBDIR%%/cclib/test/testvib.py
+%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/testdata
+%%PYTHON_SITELIBDIR%%/cclib/data.pyc
+%%PYTHON_SITELIBDIR%%/cclib/__init__.pyc
+%%PYTHON_SITELIBDIR%%/cclib/data.pyo
+%%PYTHON_SITELIBDIR%%/cclib/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/ANNOUNCE
+%%PYTHON_SITELIBDIR%%/cclib/CHANGELOG
+%%PYTHON_SITELIBDIR%%/cclib/INSTALL
+%%PYTHON_SITELIBDIR%%/cclib/LICENSE
+%%PYTHON_SITELIBDIR%%/cclib/README
+%%PYTHON_SITELIBDIR%%/cclib/THANKS
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_gopt_b.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_ir.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_ir.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_b.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_c.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_sp_d.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_un_sp_c.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/MoOCl4-sp.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/mo_sp.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/mo_sp.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/NH3.adfin
+%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/NH3.adfout
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/C_bigbasis.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_gopt_a.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_td_trplet.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/nh3_ts_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccd.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccd.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd(t).out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_ccsd.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_dets.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_cis_saps.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_mp2.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/water_mp2.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/CN_ir.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/CN_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/C_bigbasis.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_a.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_gopt_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_raman.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_td_trplet.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp2.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp2.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp3.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp3.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_c.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_gopt_d.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_raman.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_sp_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp2.out
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.in
+%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/water_mp3.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/CO_TD_delta.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/C_bigbasis.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/C_bigbasis.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_gopt.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_gopt.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_ir.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_raman.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_raman.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_sp_basis_b.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_td.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.gjf
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/dvb_un_sp_b.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/Mo4OCl4-sp.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccd.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd(t).log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_ccsd.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cis.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_cisd.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp2.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp3.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp4sdq.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03/water_mp5.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_gopt_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_sp_b.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_cis.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.in
+%%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0/water_lmp2.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/C_bigbasis.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_gopt.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.log
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_sphf_un.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/dvb_spks.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccd.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd(t).out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_ccsd.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp2.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp3.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.com
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/h2o_mp4.out
+%%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006/metadata.txt
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_gopt.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_ir.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_raman.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_td.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/dvb_un_sp.out
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.inp
+%%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6/water_mp2.out
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/parser
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/progress
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/method
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/test
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ADF
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicPCGAMESS
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian03
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Gaussian
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar/basicJaguar7.0
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Jaguar
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro/basicMolpro2006
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/Molpro
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA/basicORCA2.6
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data/ORCA
+@dirrm %%PYTHON_SITELIBDIR%%/cclib/data
+@dirrm %%PYTHON_SITELIBDIR%%/cclib