From 5777753d6bae28104b64c699eb06fff729b48fe0 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Tue, 12 May 2015 10:05:20 +0200 Subject: [PATCH] Add all.png to git --- scripts/module/module_handler.py | 2 +- scripts/module/pydot.py | 3 ++- scripts/run_Makefile_common.sh | 3 +++ scripts/update_README.py | 8 +------- src/AOs/AOs.png | Bin 0 -> 14703 bytes src/AOs/NEEDED_CHILDREN_MODULES | 2 +- src/AOs/README.rst | 1 + src/Bielec_integrals/Bielec_integrals.png | Bin 0 -> 48363 bytes src/Bitmask/Bitmask.png | Bin 0 -> 30815 bytes src/CAS_SD/CAS_SD.png | Bin 90383 -> 97241 bytes src/CID/CID.png | Bin 0 -> 85566 bytes src/CID_SC2_selected/CID_SC2_selected.png | Bin 0 -> 110947 bytes src/CID_selected/CID_selected.png | Bin 0 -> 104492 bytes src/CIS/CIS.png | Bin 0 -> 85602 bytes src/CISD/CISD.png | Bin 0 -> 85826 bytes src/CISD_SC2_selected/CISD_SC2_selected.png | Bin 105306 -> 111942 bytes src/CISD_selected/CISD_selected.png | Bin 0 -> 105348 bytes src/DDCI_selected/DDCI_selected.png | Bin 0 -> 97836 bytes src/Determinants/Determinants.png | Bin 0 -> 53663 bytes src/Electrons/Electrons.png | Bin 0 -> 7835 bytes src/Ezfio_files/Ezfio_files.png | Bin 0 -> 3686 bytes src/Ezfio_files/README.rst | 18 ++++++++++++++++++ src/FCIdump/FCIdump.png | Bin 0 -> 58414 bytes src/FCIdump/README.rst | 3 +++ src/Full_CI/Full_CI.png | Bin 93836 -> 101085 bytes src/Generators_CAS/Generators_CAS.png | Bin 0 -> 59651 bytes src/Generators_full/Generators_full.png | Bin 0 -> 70700 bytes src/Hartree_Fock/Hartree_Fock.png | Bin 0 -> 59377 bytes src/MOGuess/MOGuess.png | Bin 0 -> 42615 bytes src/MOs/MOs.png | Bin 0 -> 26392 bytes src/MP2/MP2.png | Bin 0 -> 100797 bytes src/MRCC/MRCC.png | Bin 93988 -> 101129 bytes src/Molden/Hartree_Fock.png | Bin 0 -> 63722 bytes src/Molden/Molden.png | Bin 27493 -> 32476 bytes src/MonoInts/MonoInts.png | Bin 0 -> 37718 bytes src/MonoInts/NEEDED_CHILDREN_MODULES | 2 +- src/MonoInts/README.rst | 4 +++- src/Nuclei/Nuclei.png | Bin 0 -> 7318 bytes src/Pseudo/Pseudo.png | Bin 0 -> 7428 bytes src/Pseudo_integrals/Molden.png | Bin 0 -> 34107 bytes src/Selectors_full/Selectors_full.png | Bin 0 -> 70472 bytes src/Utils/Utils.png | Bin 0 -> 2555 bytes 42 files changed, 34 insertions(+), 12 deletions(-) create mode 100644 src/AOs/AOs.png create mode 100644 src/Bielec_integrals/Bielec_integrals.png create mode 100644 src/Bitmask/Bitmask.png create mode 100644 src/CID/CID.png create mode 100644 src/CID_SC2_selected/CID_SC2_selected.png create mode 100644 src/CID_selected/CID_selected.png create mode 100644 src/CIS/CIS.png create mode 100644 src/CISD/CISD.png create mode 100644 src/CISD_selected/CISD_selected.png create mode 100644 src/DDCI_selected/DDCI_selected.png create mode 100644 src/Determinants/Determinants.png create mode 100644 src/Electrons/Electrons.png create mode 100644 src/Ezfio_files/Ezfio_files.png create mode 100644 src/FCIdump/FCIdump.png create mode 100644 src/Generators_CAS/Generators_CAS.png create mode 100644 src/Generators_full/Generators_full.png create mode 100644 src/Hartree_Fock/Hartree_Fock.png create mode 100644 src/MOGuess/MOGuess.png create mode 100644 src/MOs/MOs.png create mode 100644 src/MP2/MP2.png create mode 100644 src/Molden/Hartree_Fock.png create mode 100644 src/MonoInts/MonoInts.png create mode 100644 src/Nuclei/Nuclei.png create mode 100644 src/Pseudo/Pseudo.png create mode 100644 src/Pseudo_integrals/Molden.png create mode 100644 src/Selectors_full/Selectors_full.png create mode 100644 src/Utils/Utils.png diff --git a/scripts/module/module_handler.py b/scripts/module/module_handler.py index a35dbe2c..6e694ffa 100755 --- a/scripts/module/module_handler.py +++ b/scripts/module/module_handler.py @@ -155,7 +155,7 @@ def create_png(l_module): # Save path = '{0}.png'.format("_".join(l_module)) - print "png saved in {0}".format(path) + # print "png saved in {0}".format(path) graph.write_png(path) if __name__ == '__main__': diff --git a/scripts/module/pydot.py b/scripts/module/pydot.py index c788c137..c4a84bb6 100644 --- a/scripts/module/pydot.py +++ b/scripts/module/pydot.py @@ -31,7 +31,8 @@ import sys try: import dot_parser except Exception as e: - print >> sys.stderr, "Couldn't import dot_parser, loading of dot files will not be possible." + pass + # print >> sys.stderr, "Couldn't import dot_parser, loading of dot files will not be possible." GRAPH_ATTRIBUTES = set(['Damping', 'K', 'URL', 'aspect', 'bb', 'bgcolor', diff --git a/scripts/run_Makefile_common.sh b/scripts/run_Makefile_common.sh index 859cc8d0..8673611e 100755 --- a/scripts/run_Makefile_common.sh +++ b/scripts/run_Makefile_common.sh @@ -66,3 +66,6 @@ ${QPACKAGE_ROOT}/scripts/module/create_Makefile_depend.sh # Update EZFIO interface ${QPACKAGE_ROOT}/scripts/ezfio_interface/ei_handler.py + +# Create png +${QPACKAGE_ROOT}/scripts/module/module_handler.py create_png \ No newline at end of file diff --git a/scripts/update_README.py b/scripts/update_README.py index 177d57a4..49077a01 100755 --- a/scripts/update_README.py +++ b/scripts/update_README.py @@ -2,7 +2,7 @@ """Updates the README.rst file as the include directive is disabled on GitHub.""" __date__ = "Thu Apr 3 23:06:18 CEST 2014" -__author__ = "Anthony Scemama " +__author__ = "Anthony Scemama & TApplencourt" README = "README.rst" @@ -21,12 +21,6 @@ header = """ """ -try: - # subprocess.check_output("git status".split()) - has_git = True -except OSError: - has_git = False - def fetch_splitted_data(): """Read the README.rst file and split it in strings: diff --git a/src/AOs/AOs.png b/src/AOs/AOs.png new file mode 100644 index 0000000000000000000000000000000000000000..41a281a53729b474c0de4536a63b3c4e77f07d04 GIT binary patch literal 14703 zcmd6Oha;8$`}Z-DWG7^&LPWAx2-$mQkL+DmMo3o3COez#Ey~_|Z&{I%G7A~cb$`FV zXZ#7zXMZ^7KKK28U+?RBtrMcGD20bZfrCP!@MNSVRN>!q@b^D#EcoZ@!(~_a7nX^f zlmzM$`Sat~yciUU4kaV;MBP1QC-s${`o!g>At!D_xA23^pY-f?M$FjO*>!#yfzJvO zle~+A;{S{kMdY5mJh3cc)zR7PQVP766lc!-J+L=3xOb(MxdK1*=N$XN#d%B6NpPm` z;Jje-D`6TTU(equ2la02+&||3^8fY5l#noDC*NYw>#jw|%4%rt?=*76 zU*^?c@#f5^)X?5u*|Vc5!{dLyn}}}S44A8R5N9H3{q~LK{Pf7bp+WHH&W^Ez1A(BR z;NjN9bpZi^;`oW-Vc(P#s_);w(+LVvA|E9yi}P##vwu<1145$tg@s2Z?bu;7k11BW zB7&l#h`KE1&9E)Zw=u^jCs%%?`$)RG^9`o(V+4r#Ew=@kj_0e8b6b;md3hNb8GRfT zu(7r#q^1tPPR6!0|M_L``}cv$Ozj&ZS&!^yx#ZJ@Q(YblVsR!j#3Uw$qzby3EH--Q zfBMvVytlg7%Tj7Ink~c5&Ap~BXJvK&J+)xq9jW(A;{|H$92~81wY_hizgt>b{M1-e zV;u>_SLc$MFmHr+5P)0ELjT;ZZUazjMoChaPaYS-@e6c zG_w*2`Y^*4934%3+I0C(gg8XvZj|)KQj7oHguavbBMAyh%FVp=*YpGg1n|4VUk$%i z;Wid4xNe&BC>UQ}oZlr4El^4qcHS7i9nLe8)xGvYz}50T4d-Drl^ z{!ZSUoE$EfE%njK$y~F(cohwen~TwDiLhBZ_0IQ0B<ykTZ^Q2`THajA&dZY;85x1!Uniwoeg~C~OU{l;OH1Q({Yn0|^_NS- zgM_|EPAd}GIXSm)-$r}v`RBVX@l+Y=n$`oIDr^@Qm+4vu!&*)Xl%wm_RaJfy>5{`G*DN%@`8Wq zH$lqd>l>So&!=0(jCOSB81ptSGwGWbsI|+{9i7!98l?!aF{jInG0@S`9oKqq;@;wT z8{@%^HW{wYx#)BG7z>{YTSP?UNZs)#IpGZqD!$#r)xlH@EL_y-A=>Nno5wr6ORZO$ z$8PNIqbsIsMl@==?{$zpGHOP7{atWNnJ6IIrNG@;;o{+m4hgwtw@|O)9Vee8G2Xx% z)gU+$gVoK#9BgYF{Kj8*QN#j2D(4h4VI$CaS^JH-`?G)9ATU_}^=L4rS_}bao zDAO*Ug&|g5EbIVLvz*>+PY;jQ?r!Yz@^WStwJ~EfV(#d;xGQ92WJh6zH*a!ZkvcuJ zI=x(Q^TVU`-JbIE!_cKkjz-tkL06KUG_}V0kc{E>>&#)U%1ZPJn&TD;9U-cqK-6w0 zrf-7|D%R1->4~Ohyln3_ZdtrScx-HJ^ZdNt$CEv zo_{mXR{dB-a=da~G{f?pNzKijpLC?8q)cpVnpTNPxSYup1;xc0uO?YgqT(23FD=w+ zmFX-`%gfQWw*At5E(|T3Zn^!Z##D0iA-KlT+<~ZV>vtmN%~qo5MS{!K9<( z#$n~=R`ltw4QA}7GZnd>HMFlSzxL}lBZRjgr1w_wolmvj%yGxHh?wIaU=&Ep_?GajH7BEi=lx zeQJvA#b+w5QiG?WqRj_n$J?dNqd5u;Cx3K}THeI}i=erZ)K$!5Z;NBeRjY}HrV!QZ zvhAy7fF_Zd>-pHmhVFhr!J6lX=;&O}YW|l=^1Rk0yK4zUKKPewy>TqcOeFfu)DpU7 zA>G!U0|R(4i@L}Ry;^EX!cCT21NdI9=%d{P~K$?)&Ke;0jdMJ~@c zM@L8NO$B^OV-phEIy$aYnh&(r1o`vn)5441++@-GSW<#d$z!{ui}Slkw-%ox5jWjy z{~C0|pu}*DqN1WQvp!PWZ(ly^iWGaV_usOetHGPAvGZTc8X2-jZA-rBE-Y<)_u&J1 zduL~BXJ?=Te@b*r3#gK8Vo{rfF%uia4A*AKtJ zsOYSfg=X~EHf5|(>!E~%1f7To?H$Q5QCC-<#prQKO-)j0p2~W9VZp({_ERpeNz8d@ zHs)#{W@cp>8yWd#hzHTr)4y?$Vg3PAn4HI!JS;ri33_Q=UEMBgh}(x5_txHCoF9X! z;>yZ|oe{JV5h54lM@L6qeIE8(TU)y$QnbdcZ?9oryVf#OY0=iKr-{OC@ zr@j5Ho}S(Yyk$vukn>>9p(!dR=0@U&55o_e&RT1!6#UJmMllUMcev;4U9O7<;lIh|I*qME#)OfGiNt+JJB?Qp<13|M|;Q(V>7dkkia)@&{O!F(3>t!S?KTF$;itK;{E21 z@%zgGK9+D2PsHBcY24^RF$D!Y#S}h2@gV%=A(2Z7_}`S26n3v;M_fuC-1C2bgAx+R z$45SvtI!4?no(L>n#sA%!(QnkX>Dy? 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NEEDED_MODULES file. * `Nuclei `_ +* `Utils `_ Documentation ============= diff --git a/src/Bielec_integrals/Bielec_integrals.png b/src/Bielec_integrals/Bielec_integrals.png new file mode 100644 index 0000000000000000000000000000000000000000..c7b29381af8f98bdacc674066fcf438d931c3c82 GIT binary patch literal 48363 zcmYg&2RN2(|NpIogpeY8MI|#UTV%9UDnewGRI(*o%8pPfTUIJsb|_gXg=CkVnIb|G z|IgX;{*L4SzQ=n!&s*I0b)DCFe!rjfy+RKi)McdSq^D3QjQV=oM<^63R|;hn7aa}$ zeo;=CH!J)BlUwCX;!^Ggz z!x9WFhfbd4k&%&^T9~%Z$jIOq7iYxh>KPd5Uc4xQKfe(h8#q3Gu3qM3scS%1mWZsJ zTv}S1K*`FtL5Y*48hiGv;pF5z^xv%vRfL7ne`;+t-QtH^eDL7Gp~Hs*Vq#d29y^wX zJFWaXFkr>T&Yqr;q3yiVS$FH!t(afi#Kg2LEck+gf|^=d0;8i@T;1F(&z+-padEkm zkWkgp!SVCw&)k@l%Px;ncP1SSSe(0dl zr(I93d~iK0Cnpzj{rVm=Gj3K^)*Cl&_%AGYsQ4~%>`r6GWlPD)UBiDem|Is0o;>jn z2%z#%;cb^pKPf0^bNY1u^k7|#>EGK{d-u{Ot6W|ctw(+N@?~RV<5wR(FclUSJ}D@; zR$i{UI5*kdUqM$=ORv;odGzQ}ei<3o%F0SQdivek+SFK93gz6nbEEB#`Mym~TH4yu zdU<)xjyA8(%F61SIbjqdiw7bgC%3V_zCI*8T+7>AWnf@{nTO~4&!5f|jVNAKDVsOU 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