diff options
Diffstat (limited to 'devel/py-cclib')
| -rw-r--r-- | devel/py-cclib/Makefile | 4 | ||||
| -rw-r--r-- | devel/py-cclib/distinfo | 5 | ||||
| -rw-r--r-- | devel/py-cclib/pkg-plist | 318 |
3 files changed, 319 insertions, 8 deletions
diff --git a/devel/py-cclib/Makefile b/devel/py-cclib/Makefile index c67f8dcae621..fd1bee1c1a21 100644 --- a/devel/py-cclib/Makefile +++ b/devel/py-cclib/Makefile @@ -6,12 +6,12 @@ # PORTNAME= cclib -PORTVERSION= 0.91 +PORTVERSION= 1.0 CATEGORIES= devel python MASTER_SITES= SF/${PORTNAME}/${PORTNAME}/${PORTNAME}-${PORTVERSION} PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} -MAINTAINER= wenheping@gmail.com +MAINTAINER= wen@FreeBSD.org COMMENT= Parsers And Algorithms For Computational Chemistry BUILD_DEPENDS= ${PYNUMPY} diff --git a/devel/py-cclib/distinfo b/devel/py-cclib/distinfo index bc6d5eaed7b7..d503fd8dd0b5 100644 --- a/devel/py-cclib/distinfo +++ b/devel/py-cclib/distinfo @@ -1,3 +1,2 @@ -MD5 (cclib-0.91.tar.gz) = 64dddde2cf1ab50cf8cb7f2882c88025 -SHA256 (cclib-0.91.tar.gz) = 2d33930179a29ee050d296011cfe8b672419baa2ed341234f557b1ae2bbc121c -SIZE (cclib-0.91.tar.gz) = 4888037 +SHA256 (cclib-1.0.tar.gz) = 6f8bb6a3f442052163558a6b0581567f5f09b71558f89186d52c2ea6baf8d50a +SIZE (cclib-1.0.tar.gz) = 5298558 diff --git a/devel/py-cclib/pkg-plist b/devel/py-cclib/pkg-plist index 904fc6bfd5af..34d70e4f246c 100644 --- a/devel/py-cclib/pkg-plist +++ b/devel/py-cclib/pkg-plist @@ -1,5 +1,11 @@ bin/ccget bin/cda +%%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/__init__.py %%PYTHON_SITELIBDIR%%/cclib/__init__.pyc %%PYTHON_SITELIBDIR%%/cclib/__init__.pyo @@ -15,9 +21,242 @@ bin/cda %%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.py %%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyc %%PYTHON_SITELIBDIR%%/cclib/bridge/cclib2pyquante.pyo -%%PYTHON_SITELIBDIR%%/cclib/data.py -%%PYTHON_SITELIBDIR%%/cclib/data.pyc -%%PYTHON_SITELIBDIR%%/cclib/data.pyo +%%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/NH3.adfin +%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/NH3.adfout +%%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_td.adfin +%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/dvb_td.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/mo_sp.adfin +%%PYTHON_SITELIBDIR%%/cclib/data/ADF/basicADF2007.01/mo_sp.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/MoOCl4-sp.inp +%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS/basicGAMESS-US/MoOCl4-sp.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/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/MoOCl4-sp.in +%%PYTHON_SITELIBDIR%%/cclib/data/GAMESS-UK/basicGAMESS-UK/MoOCl4-sp.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 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+%%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/Gaussian/basicGaussian09/dvb_gopt.gjf +%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_gopt.log +%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_ir.gjf 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