5 files changed, 431 insertions, 0 deletions

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
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+%%PYTHON_SITELIBDIR%%/cclib/bridge/__init__.pyo
+%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.py
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+%%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
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+%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.py
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+%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyc
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+%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyc
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+%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyc
+%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyo
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+%%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
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