- Update to 1.0
- Update my email to FreeBSD
This commit is contained in:
parent
d01be48130
commit
0469c66dd8
Notes:
svn2git
2021-03-31 03:12:20 +00:00
svn path=/head/; revision=269309
@ -6,12 +6,12 @@
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#
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PORTNAME= cclib
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PORTVERSION= 0.91
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PORTVERSION= 1.0
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CATEGORIES= devel python
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MASTER_SITES= SF/${PORTNAME}/${PORTNAME}/${PORTNAME}-${PORTVERSION}
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PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
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MAINTAINER= wenheping@gmail.com
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MAINTAINER= wen@FreeBSD.org
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COMMENT= Parsers And Algorithms For Computational Chemistry
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BUILD_DEPENDS= ${PYNUMPY}
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@ -1,3 +1,2 @@
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MD5 (cclib-0.91.tar.gz) = 64dddde2cf1ab50cf8cb7f2882c88025
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SHA256 (cclib-0.91.tar.gz) = 2d33930179a29ee050d296011cfe8b672419baa2ed341234f557b1ae2bbc121c
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SIZE (cclib-0.91.tar.gz) = 4888037
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SHA256 (cclib-1.0.tar.gz) = 6f8bb6a3f442052163558a6b0581567f5f09b71558f89186d52c2ea6baf8d50a
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SIZE (cclib-1.0.tar.gz) = 5298558
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@ -1,5 +1,11 @@
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bin/ccget
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bin/cda
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@ -15,9 +21,242 @@ bin/cda
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%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_gopt.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_ir.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_ir.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_raman.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_raman.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis_b.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_sp_basis_b.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_td.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_td.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_un_sp.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_un_sp.log
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_un_sp_b.gjf
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/Gaussian/basicGaussian09/dvb_un_sp_b.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
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/regressionfiles.txt
|
||||
%%PYTHON_SITELIBDIR%%/cclib/data/wget.sh
|
||||
%%PYTHON_SITELIBDIR%%/cclib/method/__init__.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/method/__init__.pyo
|
||||
@ -60,6 +299,12 @@ bin/cda
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/adfparser.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/ccopen.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/ccopen.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/ccopen.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/data.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/data.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/data.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/parser/gamessparser.pyo
|
||||
@ -96,8 +341,75 @@ bin/cda
|
||||
%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/progress/textprogress.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/bettertest.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/methods.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/methods.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testBasis.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCC.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCC.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCI.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCI.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCore.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testCore.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testGeoOpt.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testMP.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testMP.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSP.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSP.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testSPun.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTD.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTD.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testTDun.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testall.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testall.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testcda.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testcda.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testdata
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testpopulation.pyo
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testvib.py
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyc
|
||||
%%PYTHON_SITELIBDIR%%/cclib/test/testvib.pyo
|
||||
@dirrm %%PYTHON_SITELIBDIR%%/cclib/bridge
|
||||
@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/basicGaussian09
|
||||
@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/method
|
||||
@dirrm %%PYTHON_SITELIBDIR%%/cclib/parser
|
||||
@dirrm %%PYTHON_SITELIBDIR%%/cclib/progress
|
||||
@dirrm %%PYTHON_SITELIBDIR%%/cclib/test
|
||||
@dirrm %%PYTHON_SITELIBDIR%%/cclib
|
||||
|
Loading…
Reference in New Issue
Block a user