From d7978912bd677d40be0026902569a11b9c3fa579 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 20 Feb 2020 19:33:42 +0100 Subject: [PATCH 1/3] Added the tgz of EZFIO for simplicity --- configure | 33 +++++++++++++++------------------ external/EZFIO.1.6.2.tar.gz | Bin 0 -> 26530 bytes 2 files changed, 15 insertions(+), 18 deletions(-) create mode 100644 external/EZFIO.1.6.2.tar.gz diff --git a/configure b/configure index dc0ca9f7..df953fa5 100755 --- a/configure +++ b/configure @@ -15,12 +15,12 @@ unset CCXX export CC=gcc -# When updating version, update also etc files +# /!\ When updating version, update also etc files +EZFIO_TGZ="EZFIO.1.6.2.tar.gz" BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" BUBBLE_URL="https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz" DOCOPT_URL="https://github.com/docopt/docopt/archive/0.6.2.tar.gz" -EZFIO_URL="https://gitlab.com/scemama/EZFIO/-/archive/v1.6.1/EZFIO-v1.6.1.tar.gz" F77ZMQ_URL="https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" GMP_URL="ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2" IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v1.7.6/irpf90-v1.7.6.tar.gz" @@ -177,6 +177,19 @@ function find_dir() { } +# Extract EZFIO if needed +EZFIO=$(find_dir "${QP_ROOT}"/external/ezfio) +if [[ ${EZFIO} = $(not_found) ]] ; then + execute << EOF + cd "\${QP_ROOT}"/external + tar --gunzip --extract --file ${EZFIO_TGZ} + rm -rf ezfio + mv EZFIO-* ezfio +EOF +fi + + + if [[ "${PACKAGES}.x" != ".x" ]] ; then printf "\e[0;31m" echo "" @@ -342,16 +355,6 @@ EOF fi - elif [[ ${PACKAGE} = ezfio ]] ; then - - download ${EZFIO_URL} "${QP_ROOT}"/external/ezfio.tar.gz - execute << EOF - cd "\${QP_ROOT}"/external - tar --gunzip --extract --file ezfio.tar.gz - rm -rf ezfio - mv EZFIO-* ezfio -EOF - elif [[ ${PACKAGE} = zlib ]] ; then @@ -458,12 +461,6 @@ if [[ ${OCAML} = $(not_found) ]] ; then fail fi -EZFIO=$(find_dir "${QP_ROOT}"/external/ezfio) -if [[ ${EZFIO} = $(not_found) ]] ; then - error "EZFIO (ezfio) is not installed." - fail -fi - ZLIB=$(find_lib -lz) if [[ ${ZLIB} = $(not_found) ]] ; then error "Zlib (zlib) is not installed." diff --git a/external/EZFIO.1.6.2.tar.gz b/external/EZFIO.1.6.2.tar.gz new file mode 100644 index 0000000000000000000000000000000000000000..f364f88f0df3da14ea1eac8f2bc5792f70b190a0 GIT binary patch literal 26530 zcmV)AK*YZviwFRB&rV(d1MFOFbK5qy&S(4zteaU|9a*;QINiq6nRODo^_?Wn*v@u( z+fD`|AqfpdY5~%Un&iLV^8%0{CE0GL>CU~knx?Tx;NalAKIZ_=>3^S{U+g{jte<`O ze06k$e-FPp+K>MZp9jOk#|MW;kG?v3{MCc~;qd6_;DJ2)ylnBOa;36TK5&VishQe1 z?ymR$OFyTi|G~tRW|9|He~vX!!H*w3+Nl3Wk7E79xZ&Z^;n4%R|2dfHe*T~9znZ72 z)B`saub1Vt$oKTGV^a*~OL38?S?0gaGVxToss9Fp2f4|AQEyW{cj4!(n23qawFP=9 zKNFc5?ZF?O*8cj|*f~6!sdsvi6#3XpgtN)s`Q_`gulL{1RK6E~FZFEB4`AB(>-_=F zi@v|rc?l-09X+epnAoD4yIo)lchq`Sl_rZ{dbtjB7jG_~oqpQt?F|M}9?SV6mAkKH zPl$1qCrC)X@TsT3&*#^tFY7@QUEV#& z-7-kZf1SK|b1LN%d6lRPZ1YBC6#$$2P4=HB^2A!T^mC=vDwShf%%m$*lZ%!xZnPa0 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zKK;S7KcU;1`;GmNoo^+)f}wm`^6adil2wcjlPM6sQotAYGsvd_RSnOFVXupd;usWg ziNS}4t0hYr`%TP1l$u_;5~=;x*4~?cz781#ujzO~(4Lb;B9s;=6KCpfUGlh5dk zin&k|`b`yAs(xiIVAaXdUmo1bYg0zegk zoh!suHR$*<_eBH*`LIS%m!&c^Arc}A(PeuTpcpATm(UILUe#=q$-h* z0>I5CpU?(x%+aLD(T_>Ya^aWO?q&G?vYzN2hF|bjm;(vg8kP|_jX?&Z0$59-e)SApKk3u3pOL#G%Ptn z+$_WL74Ua-R%~oSJ;8hUUf*othcLpbcMkMjpT@s$iHpNi#3?#n7CjQ+Mwn=!;~7}mlH|I<^TGl#|!y?C(mO4XR-gY*#G(K?*CA@F5dkS8z{Ya9*zFG{Zcm9v--UbOxS*C zeV5h4;Nq;+?w_BwgAF_NBp#l{9{482P_K3nRy-^KmXGG5Bq3)3wkK2Q2E z#A~V8IfB3sRW(v;ky?+SjYko@KaA9)NIj0!w?_cW{tpCNt&{<@QicL#frnOgDNJK$ z9lK}`TjP(z7M}XnsdG38T@lcBEOaWg8fmv8MgF0UF(0Nb$RC-k4DGncF(Pan7I=B% zTn>);Di#XbpYLJ)Pv)dARL6| Date: Thu, 20 Feb 2020 19:41:30 +0100 Subject: [PATCH 2/3] Fixed EZFIO installation --- configure | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/configure b/configure index df953fa5..91c02f05 100755 --- a/configure +++ b/configure @@ -184,7 +184,7 @@ if [[ ${EZFIO} = $(not_found) ]] ; then cd "\${QP_ROOT}"/external tar --gunzip --extract --file ${EZFIO_TGZ} rm -rf ezfio - mv EZFIO-* ezfio + mv EZFIO ezfio EOF fi From 38a92488f61e671af329f1f61419e6fe15862c7d Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 20 Feb 2020 12:49:34 -0600 Subject: [PATCH 3/3] Update occ_pattern.irp.f --- src/determinants/occ_pattern.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/determinants/occ_pattern.irp.f b/src/determinants/occ_pattern.irp.f index 6e6f9c9f..d4d8c42b 100644 --- a/src/determinants/occ_pattern.irp.f +++ b/src/determinants/occ_pattern.irp.f @@ -424,7 +424,7 @@ BEGIN_PROVIDER [ double precision, weight_occ_pattern_average, (N_occ_pattern) ] enddo END_PROVIDER - BEGIN_PROVIDER [ double precision, psi_occ_pattern_sorted, (N_int,2,N_occ_pattern) ] + BEGIN_PROVIDER [ integer(bit_kind), psi_occ_pattern_sorted, (N_int,2,N_occ_pattern) ] &BEGIN_PROVIDER [ double precision, weight_occ_pattern_average_sorted, (N_occ_pattern) ] &BEGIN_PROVIDER [ integer, psi_occ_pattern_sorted_order, (N_occ_pattern) ] &BEGIN_PROVIDER [ integer, psi_occ_pattern_sorted_order_reverse, (N_occ_pattern) ]