From fdcd8c3a8f5a3b3eb0f9ed99acccd257d6f305dd Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 19 Aug 2019 17:42:54 +0200 Subject: [PATCH 01/13] Fixing opam installation --- configure | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/configure b/configure index 2599fbbc..368151f6 100755 --- a/configure +++ b/configure @@ -301,9 +301,9 @@ ${QP_ROOT}/bin EOF rm ${QP_ROOT}/external/opam_installer.sh - source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true - - opam switch create ocaml-base-compiler.4.07.1 +# source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true +# +# opam switch create ocaml-base-compiler.4.07.1 opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing eval $(opam env) @@ -322,8 +322,8 @@ EOF | sh \${QP_ROOT}/external/opam_installer.sh EOF rm ${QP_ROOT}/external/opam_installer.sh - source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true - opam switch create ocaml-base-compiler.4.07.1 || exit 1 +# source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true +# opam switch create ocaml-base-compiler.4.07.1 || exit 1 opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing eval $(opam env) EOF From 9f6cedde853c9b170b303bb902bbefcaa513993f Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 26 Sep 2019 11:00:31 +0200 Subject: [PATCH 02/13] Fixed 6-31 basis sets --- data/basis/6-31++g | 10 ++++++++++ data/basis/6-31++g_star_star | 25 +++++++++++++++++++------ data/basis/6-31+g_star | 16 ++++++++++++++++ data/basis/6-311++g_2d_2p | 12 ++++++++++++ data/basis/6-311+g_star | 20 ++++++++++++++++++++ data/basis/6-311G_star | 20 ++++++++++++++++++++ data/basis/6-31g_star | 16 ++++++++++++++++ 7 files changed, 113 insertions(+), 6 deletions(-) diff --git a/data/basis/6-31++g b/data/basis/6-31++g index 7e36d0f9..e1994202 100644 --- a/data/basis/6-31++g +++ b/data/basis/6-31++g @@ -8,6 +8,16 @@ S 1 S 1 1 0.0360000 1.0000000 +HELIUM +S 3 +1 0.3842163400E+02 0.4013973935E-01 +2 0.5778030000E+01 0.2612460970E+00 +3 0.1241774000E+01 0.7931846246E+00 +S 1 +1 0.2979640000E+00 1.0000000 +S 1 +1 0.8600000000E-01 0.1000000000E+01 + LITHIUM S 6 1 642.4189200 0.0021426 diff --git a/data/basis/6-31++g_star_star b/data/basis/6-31++g_star_star index ae124833..4f4ead25 100644 --- a/data/basis/6-31++g_star_star +++ b/data/basis/6-31++g_star_star @@ -1,14 +1,27 @@ + HYDROGEN S 3 - 1 18.7311370 0.03349460 - 2 2.8253937 0.23472695 - 3 0.6401217 0.81375733 +1 0.1873113696E+02 0.3349460434E-01 +2 0.2825394365E+01 0.2347269535E+00 +3 0.6401216923E+00 0.8137573261E+00 S 1 - 1 0.1612778 1.0000000 +1 0.1612777588E+00 1.0000000 S 1 - 1 0.0360000 1.0000000 +1 0.3600000000E-01 0.1000000000E+01 P 1 - 1 1.1000000 1.0000000 +1 0.1100000000E+01 1.0000000 + +HELIUM +S 3 +1 0.3842163400E+02 0.4013973935E-01 +2 0.5778030000E+01 0.2612460970E+00 +3 0.1241774000E+01 0.7931846246E+00 +S 1 +1 0.2979640000E+00 1.0000000 +S 1 +1 0.8600000000E-01 0.1000000000E+01 +P 1 +1 0.1100000000E+01 1.0000000 LITHIUM S 6 diff --git a/data/basis/6-31+g_star b/data/basis/6-31+g_star index 663f7af8..bc112c64 100644 --- a/data/basis/6-31+g_star +++ b/data/basis/6-31+g_star @@ -1,3 +1,19 @@ +HYDROGEN +S 3 +1 0.1873113696E+02 0.3349460434E-01 +2 0.2825394365E+01 0.2347269535E+00 +3 0.6401216923E+00 0.8137573261E+00 +S 1 +1 0.1612777588E+00 1.0000000 + +HELIUM +S 3 +1 0.3842163400E+02 0.4013973935E-01 +2 0.5778030000E+01 0.2612460970E+00 +3 0.1241774000E+01 0.7931846246E+00 +S 1 +1 0.2979640000E+00 1.0000000 + LITHIUM S 6 1 642.4189200 0.0021426 diff --git a/data/basis/6-311++g_2d_2p b/data/basis/6-311++g_2d_2p index 5cf54355..de8f54b4 100644 --- a/data/basis/6-311++g_2d_2p +++ b/data/basis/6-311++g_2d_2p @@ -14,6 +14,18 @@ P 1 P 1 1 0.3750000 1.0000000 +HELIUM +S 3 +1 98.12430 0.0287452 +2 14.76890 0.208061 +3 3.318830 0.837635 +S 1 +1 0.874047 1.000000 +S 1 +1 0.244564 1.000000 +P 1 +1 0.750 1.000000 + LITHIUM S 6 1 900.4600000 0.00228704 diff --git a/data/basis/6-311+g_star b/data/basis/6-311+g_star index 9a6bd86f..14ec3a44 100644 --- a/data/basis/6-311+g_star +++ b/data/basis/6-311+g_star @@ -1,3 +1,23 @@ +HYDROGEN +S 3 +1 33.86500 0.0254938 +2 5.094790 0.190373 +3 1.158790 0.852161 +S 1 +1 0.325840 1.000000 +S 1 +1 0.102741 1.000000 + +HELIUM +S 3 +1 98.12430 0.0287452 +2 14.76890 0.208061 +3 3.318830 0.837635 +S 1 +1 0.874047 1.000000 +S 1 +1 0.244564 1.000000 + LITHIUM S 6 1 900.4600000 0.00228704 diff --git a/data/basis/6-311G_star b/data/basis/6-311G_star index 21621a45..c9cb224c 100644 --- a/data/basis/6-311G_star +++ b/data/basis/6-311G_star @@ -1,3 +1,23 @@ +HYDROGEN +S 3 +1 33.86500 0.0254938 +2 5.094790 0.190373 +3 1.158790 0.852161 +S 1 +1 0.325840 1.000000 +S 1 +1 0.102741 1.000000 + +HELIUM +S 3 +1 98.12430 0.0287452 +2 14.76890 0.208061 +3 3.318830 0.837635 +S 1 +1 0.874047 1.000000 +S 1 +1 0.244564 1.000000 + LITHIUM S 6 1 900.4600000 0.00228704 diff --git a/data/basis/6-31g_star b/data/basis/6-31g_star index 2e79dff2..12291b80 100644 --- a/data/basis/6-31g_star +++ b/data/basis/6-31g_star @@ -1,3 +1,19 @@ +HYDROGEN +S 3 + 1 18.7311370 0.03349460 + 2 2.8253937 0.23472695 + 3 0.6401217 0.81375733 +S 1 + 1 0.1612778 1.0000000 + +HELIUM +S 3 + 1 38.4216340 0.0237660 + 2 5.7780300 0.1546790 + 3 1.2417740 0.4696300 +S 1 + 1 0.2979640 1.0000000 + LITHIUM S 6 1 642.4189200 0.0021426 From d91de1bc2b841cb69f19ed6f0c456948116de04a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 26 Sep 2019 12:48:43 +0200 Subject: [PATCH 03/13] Bug in quickstart --- docs/source/users_guide/quickstart.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/users_guide/quickstart.rst b/docs/source/users_guide/quickstart.rst index 2883ed96..f0620c5a 100644 --- a/docs/source/users_guide/quickstart.rst +++ b/docs/source/users_guide/quickstart.rst @@ -115,7 +115,7 @@ create an |EZFIO| database with the 6-31G basis set: .. code:: bash - qp create_ezfio -b "6-31G" hcn.xyz -o hcn + qp create_ezfio -b "6-31g" hcn.xyz -o hcn The EZFIO database now contains data relative to the nuclear coordinates and the atomic basis set: From 924d505d170c0bb11116daa9efe7834288cd806e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 21 Oct 2019 14:11:47 +0200 Subject: [PATCH 04/13] Use irpf90 v1.7.6 --- configure | 66 +++++++++++++++++++++++-------------------------------- 1 file changed, 27 insertions(+), 39 deletions(-) diff --git a/configure b/configure index 368151f6..f8160aef 100755 --- a/configure +++ b/configure @@ -9,6 +9,20 @@ eval set -- "$TEMP" export QP_ROOT="$( cd "$(dirname "$0")" ; pwd -P )" echo "QP_ROOT="$QP_ROOT +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/v1.4.0/EZFIO-v1.4.0.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" +LIBCAP_URL="https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" +NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" +OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" +RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" +ZEROMQ_URL="https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" +ZLIB_URL="https://www.zlib.net/zlib-1.2.11.tar.gz" + function help() { @@ -183,9 +197,7 @@ for PACKAGE in ${PACKAGES} ; do if [[ ${PACKAGE} = ninja ]] ; then - download \ - "https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" \ - "${QP_ROOT}"/external/ninja.zip + download ${NINJA_URL} "${QP_ROOT}"/external/ninja.zip execute << EOF rm -f "\${QP_ROOT}"/bin/ninja unzip "\${QP_ROOT}"/external/ninja.zip -d "\${QP_ROOT}"/bin @@ -194,9 +206,7 @@ EOF elif [[ ${PACKAGE} = gmp ]] ; then - download \ - "ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2" \ - "${QP_ROOT}"/external/gmp.tar.bz2 + download ${GMP_URL} "${QP_ROOT}"/external/gmp.tar.bz2 execute << EOF cd "\${QP_ROOT}"/external tar --bzip2 --extract --file gmp.tar.bz2 @@ -208,9 +218,7 @@ EOF elif [[ ${PACKAGE} = libcap ]] ; then - download \ - "https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" \ - "${QP_ROOT}"/external/libcap.tar.gz + download ${LIBCAP_URL} "${QP_ROOT}"/external/libcap.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file libcap.tar.gz @@ -221,9 +229,7 @@ EOF elif [[ ${PACKAGE} = bwrap ]] ; then - download \ - "https://github.com/projectatomic/bubblewrap/releases/download/v0.3.3/bubblewrap-0.3.3.tar.xz" \ - "${QP_ROOT}"/external/bwrap.tar.xz + download ${BUBBLE_URL} "${QP_ROOT}"/external/bwrap.tar.xz execute << EOF cd "\${QP_ROOT}"/external tar --xz --extract --file bwrap.tar.xz @@ -236,9 +242,7 @@ EOF elif [[ ${PACKAGE} = irpf90 ]] ; then # When changing version of irpf90, don't forget to update etc/irpf90.rc - download \ - "https://gitlab.com/scemama/irpf90/-/archive/v1.7.5/irpf90-v1.7.5.tar.gz" \ - "${QP_ROOT}"/external/irpf90.tar.gz + download ${IRPF90_URL} "${QP_ROOT}"/external/irpf90.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file irpf90.tar.gz @@ -250,9 +254,7 @@ EOF elif [[ ${PACKAGE} = zeromq ]] ; then - download \ - "https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" \ - "${QP_ROOT}"/external/zeromq.tar.gz + download ${ZEROMQ_URL} "${QP_ROOT}"/external/zeromq.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file zeromq.tar.gz @@ -266,9 +268,7 @@ EOF elif [[ ${PACKAGE} = f77zmq ]] ; then - download \ - "https://github.com/scemama/f77_zmq/archive/v4.2.5.tar.gz" \ - "${QP_ROOT}"/external/f77_zmq.tar.gz + download ${F77ZMQ_URL} "${QP_ROOT}"/external/f77_zmq.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file f77_zmq.tar.gz @@ -284,9 +284,7 @@ EOF elif [[ ${PACKAGE} = ocaml ]] ; then - download \ - "https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" \ - "${QP_ROOT}"/external/opam_installer.sh + download ${OCAML_URL} "${QP_ROOT}"/external/opam_installer.sh if [[ -n ${TRAVIS} ]] ; then # Special commands for Travis CI @@ -335,9 +333,7 @@ EOF elif [[ ${PACKAGE} = ezfio ]] ; then - download \ - "https://gitlab.com/scemama/EZFIO/-/archive/v1.4.0/EZFIO-v1.4.0.tar.gz" \ - "${QP_ROOT}"/external/ezfio.tar.gz + download ${EZFIO_URL} "${QP_ROOT}"/external/ezfio.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file ezfio.tar.gz @@ -348,9 +344,7 @@ EOF elif [[ ${PACKAGE} = zlib ]] ; then - download \ - "https://www.zlib.net/zlib-1.2.11.tar.gz" \ - "${QP_ROOT}"/external/zlib.tar.gz + download ${ZLIB_URL} "${QP_ROOT}"/external/zlib.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file zlib.tar.gz @@ -363,9 +357,7 @@ EOF elif [[ ${PACKAGE} = docopt ]] ; then - download \ - "https://github.com/docopt/docopt/archive/0.6.2.tar.gz" \ - "${QP_ROOT}"/external/docopt.tar.gz + download ${DOCOPT_URL} "${QP_ROOT}"/external/docopt.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file docopt.tar.gz @@ -376,9 +368,7 @@ EOF elif [[ ${PACKAGE} = resultsFile ]] ; then - download \ - "https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" \ - "${QP_ROOT}"/external/resultsFile.tar.gz + download ${RESULTS_URL} "${QP_ROOT}"/external/resultsFile.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file resultsFile.tar.gz @@ -388,9 +378,7 @@ EOF elif [[ ${PACKAGE} = bats ]] ; then - download \ - "https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" \ - "${QP_ROOT}"/external/bats.tar.gz + download ${BATS_URL} "${QP_ROOT}"/external/bats.tar.gz execute << EOF cd "\${QP_ROOT}"/external tar -zxf bats.tar.gz From 8732c2176580b25f664cc3506abc8e2eb6551f60 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 21 Oct 2019 14:32:17 +0200 Subject: [PATCH 05/13] Fix IRPF90 Path --- etc/irpf90.rc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/etc/irpf90.rc b/etc/irpf90.rc index 474af1a2..42ec4502 100644 --- a/etc/irpf90.rc +++ b/etc/irpf90.rc @@ -1,7 +1,7 @@ # Configuration of IRPF90 package # Set the path of IRPF90 here: -export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.5 +export IRPF90_PATH=${QP_ROOT}/external/irpf90-v1.7.6 export PATH=${PATH}:${IRPF90_PATH}/bin export IRPF90=${IRPF90_PATH}/bin/irpf90 From e61cf32ea3df4839288b8850e3b706acb1398868 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 21 Oct 2019 17:40:54 +0200 Subject: [PATCH 06/13] Force GCC for dependencies --- configure | 3 +++ 1 file changed, 3 insertions(+) diff --git a/configure b/configure index 21df1b71..3b17f8ac 100755 --- a/configure +++ b/configure @@ -3,6 +3,9 @@ # Quantum Package configuration script # +# Force GCC instead of ICC for dependencies +export CC=gcc + TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1 eval set -- "$TEMP" From 4dde03bf3828c7b14f909d261990939899ee10c9 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 26 Nov 2019 14:27:48 +0100 Subject: [PATCH 07/13] Allow negative charges in qp_create_ezfio --- ocaml/qp_create_ezfio.ml | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/ocaml/qp_create_ezfio.ml b/ocaml/qp_create_ezfio.ml index 083db4de..b4a78bde 100644 --- a/ocaml/qp_create_ezfio.ml +++ b/ocaml/qp_create_ezfio.ml @@ -644,7 +644,7 @@ If a file with the same name as the basis set exists, this file will be read. O { opt=Optional ; short='c'; long="charge"; arg=With_arg ""; - doc="Total charge of the molecule. Default is 0."} ; + doc="Total charge of the molecule. Default is 0. For negative values, use m instead of -, for ex m1"} ; { opt=Optional ; short='d'; long="dummy"; arg=With_arg ""; @@ -686,7 +686,10 @@ If a file with the same name as the basis set exists, this file will be read. O let charge = match Command_line.get "charge" with | None -> 0 - | Some x -> int_of_string x + | Some x -> ( if x.[0] = 'm' then + ~- (int_of_string (String.sub x 1 (String.length x - 1))) + else + int_of_string x ) in let dummy = From aded338cc5103bd29eaa7ff483846fe52b7585fa Mon Sep 17 00:00:00 2001 From: Anouar Benali Date: Thu, 2 Jan 2020 13:17:17 -0600 Subject: [PATCH 08/13] Fix for save_for_qmcpack (#72) --- src/determinants/determinants.irp.f | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/src/determinants/determinants.irp.f b/src/determinants/determinants.irp.f index 71ee3d89..f1aab1dc 100644 --- a/src/determinants/determinants.irp.f +++ b/src/determinants/determinants.irp.f @@ -489,6 +489,25 @@ subroutine save_wavefunction endif end +subroutine save_wavefunction_qmcpack + implicit none + use bitmasks + BEGIN_DOC + ! Save the wave function into the |EZFIO| file + END_DOC + + ! Trick to avoid re-reading the wave function every time N_det changes + ! This Trick destroys determinants when saving for qmcpack + !read_wf = .False. + + if (N_det < N_states) then + return + endif + if (mpi_master) then + call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) + endif +end + subroutine save_wavefunction_unsorted implicit none From 39be892bfe6e36b7f570ca3edab5d6d8883572a1 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 7 Jan 2020 09:25:00 +0100 Subject: [PATCH 09/13] Fixed sexplib version in configure --- configure | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/configure b/configure index 685cccfd..e8c22483 100755 --- a/configure +++ b/configure @@ -82,7 +82,7 @@ function execute () { } PACKAGES="" -OCAML_PACKAGES="ocamlbuild cryptokit zmq sexplib.v0.11.0 ppx_sexp_conv ppx_deriving getopt" +OCAML_PACKAGES="ocamlbuild cryptokit zmq sexplib ppx_sexp_conv ppx_deriving getopt" while true ; do case "$1" in From 0e29b1c264c0e0db42a5e8ab9eab04f1a0411f67 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 4 Feb 2020 16:49:16 +0100 Subject: [PATCH 10/13] Basis warning --- data/basis/00_README.rst | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/data/basis/00_README.rst b/data/basis/00_README.rst index 9d3510c3..19b9ecf3 100644 --- a/data/basis/00_README.rst +++ b/data/basis/00_README.rst @@ -1,4 +1,11 @@ -# Basis sets obtained from EMSL Basis Set Exchange : https://bse.pnl.gov/bse/portal +# IMPORTANT NOTICE: +# Basis sets were obtained from the old EMSL Basis Set Exchange web site +# (https://bse.pnl.gov/bse/portal) in 2015. Today, the new web site +# https://www.basissetexchange.org contains updated versions of the basis +# sets with eventually the same name, but different data. +# +# Users are advised to use data from www.basissetexchange.org instead of the +# file provided in this directory. # File Name on EMSL BSE Description From 82e68255b2c496f807152d8c83f83cae433678cb Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 12 Feb 2020 13:08:05 -0600 Subject: [PATCH 11/13] Removed qmcpack specific function --- src/determinants/determinants.irp.f | 19 ------------------- 1 file changed, 19 deletions(-) diff --git a/src/determinants/determinants.irp.f b/src/determinants/determinants.irp.f index f1aab1dc..71ee3d89 100644 --- a/src/determinants/determinants.irp.f +++ b/src/determinants/determinants.irp.f @@ -489,25 +489,6 @@ subroutine save_wavefunction endif end -subroutine save_wavefunction_qmcpack - implicit none - use bitmasks - BEGIN_DOC - ! Save the wave function into the |EZFIO| file - END_DOC - - ! Trick to avoid re-reading the wave function every time N_det changes - ! This Trick destroys determinants when saving for qmcpack - !read_wf = .False. - - if (N_det < N_states) then - return - endif - if (mpi_master) then - call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) - endif -end - subroutine save_wavefunction_unsorted implicit none From 6d10e4f0ccdf56b10b40498815e7c9dd89d4a59c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 12 Feb 2020 21:14:12 +0100 Subject: [PATCH 12/13] Fix resultsFile Python2 download --- configure | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/configure b/configure index e8c22483..3f9b7b99 100755 --- a/configure +++ b/configure @@ -27,7 +27,7 @@ IRPF90_URL="https://gitlab.com/scemama/irpf90/-/archive/v1.7.6/irpf90-v1.7.6.tar LIBCAP_URL="https://git.kernel.org/pub/scm/linux/kernel/git/morgan/libcap.git/snapshot/libcap-2.25.tar.gz" NINJA_URL="https://github.com/ninja-build/ninja/releases/download/v1.8.2/ninja-linux.zip" OCAML_URL="https://raw.githubusercontent.com/ocaml/opam/master/shell/install.sh" -RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz" +RESULTS_URL="https://gitlab.com/scemama/resultsFile/-/archive/v1.0/resultsFile-v1.0.tar.gz" ZEROMQ_URL="https://github.com/zeromq/libzmq/releases/download/v4.2.5/zeromq-4.2.5.tar.gz" ZLIB_URL="https://www.zlib.net/zlib-1.2.11.tar.gz" From 978c0e5b3caf273d2c498d947ea55e0bacece28a Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 12 Feb 2020 21:42:49 +0100 Subject: [PATCH 13/13] Fixed wrong path --- configure | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/configure b/configure index 3f9b7b99..dc0ca9f7 100755 --- a/configure +++ b/configure @@ -383,8 +383,8 @@ EOF execute << EOF cd "\${QP_ROOT}"/external tar --gunzip --extract --file resultsFile.tar.gz - mv resultsFile-master/resultsFile "\${QP_ROOT}/external/Python/" - rm --recursive --force resultsFile-master resultsFile.tar.gz + mv resultsFile-*/resultsFile "\${QP_ROOT}/external/Python/" + rm --recursive --force resultsFile-* resultsFile.tar.gz EOF elif [[ ${PACKAGE} = bats ]] ; then