Mon Aug 10 16:39:01 UTC 2020 I: starting to build cod-tools/buster/i386 on jenkins on '2020-08-10 16:38' Mon Aug 10 16:39:01 UTC 2020 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/i386_13/5714/console.log Mon Aug 10 16:39:02 UTC 2020 I: Downloading source for buster/cod-tools=2.3+dfsg-3 --2020-08-10 16:39:02-- http://deb.debian.org/debian/pool/main/c/cod-tools/cod-tools_2.3+dfsg-3.dsc Connecting to 78.137.99.97:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 3496 (3.4K) Saving to: ‘cod-tools_2.3+dfsg-3.dsc’ 0K ... 100% 276M=0s 2020-08-10 16:39:02 (276 MB/s) - ‘cod-tools_2.3+dfsg-3.dsc’ saved [3496/3496] Mon Aug 10 16:39:02 UTC 2020 I: cod-tools_2.3+dfsg-3.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: cod-tools Binary: libcexceptions0, libcexceptions-dev, libgetoptions0, libgetoptions-dev, libcodcif2, libcodcif-dev, libcod-precision-perl, libcod-usermessage-perl, libcod-cif-parser-bison-perl, libcod-cif-parser-yapp-perl, python-pycodcif, python3-pycodcif, cod-tools Architecture: any all Version: 2.3+dfsg-3 Maintainer: Debian Science Maintainers Uploaders: Andrius Merkys Homepage: http://wiki.crystallography.net/cod-tools Standards-Version: 4.3.0 Vcs-Browser: https://salsa.debian.org/science-team/cod-tools Vcs-Git: https://salsa.debian.org/science-team/cod-tools.git Testsuite: autopkgtest Testsuite-Triggers: diffutils, findutils, libchemistry-openbabel-perl, libtext-diff-perl, perl, rsync, tree Build-Depends: bison, debhelper (>= 11), dh-python, flex, gawk, libcapture-tiny-perl, libcarp-assert-perl, libchemistry-openbabel-perl, libclone-perl, libdate-calc-perl, libdatetime-format-rfc3339-perl, libdbd-mysql-perl, libdbd-sqlite3-perl, libdbi-perl, libdigest-sha-perl, libhtml-parser-perl, libjson-perl, liblist-moreutils-perl, libmodule-scandeps-perl, libparse-yapp-perl, libtext-diff-perl, libsymspg-dev, libwww-curl-perl, libxml-simple-perl, moreutils, perl, python3-all-dev, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree Package-List: cod-tools deb science optional arch=any libcexceptions-dev deb libdevel optional arch=any libcexceptions0 deb libs optional arch=any libcod-cif-parser-bison-perl deb perl optional arch=any libcod-cif-parser-yapp-perl deb perl optional arch=all libcod-precision-perl deb perl optional arch=all libcod-usermessage-perl deb perl optional arch=all libcodcif-dev deb libdevel optional arch=any libcodcif2 deb libs optional arch=any libgetoptions-dev deb libdevel optional arch=any libgetoptions0 deb libs optional arch=any python-pycodcif deb python optional arch=any python3-pycodcif deb python optional arch=any Checksums-Sha1: 8cec4779f16954df22dc940ef1c71f7f0737fbc0 8443436 cod-tools_2.3+dfsg.orig.tar.xz da580aafd79b79f5b47897c2fc97dfd17ffaad66 12124 cod-tools_2.3+dfsg-3.debian.tar.xz Checksums-Sha256: ef958b55ee4596917fd281b709ddf23b97c941bbc903b5e3573ec78a1758ffc1 8443436 cod-tools_2.3+dfsg.orig.tar.xz 795211f2c5905552a6bb7e3b1a42e421505478121a50d02ac7fafa01947b1619 12124 cod-tools_2.3+dfsg-3.debian.tar.xz Files: 2d34c9c6f85d096b2d3587d6a7f20810 8443436 cod-tools_2.3+dfsg.orig.tar.xz cb066b1828a56b6a4bf07c39ec9377a5 12124 cod-tools_2.3+dfsg-3.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJNBAEBCgA3FiEEdyKS9veshfrgQdQe5fQ/nCc08ocFAlxWtaIZHGFuZHJpdXMu bWVya3lzQGdtYWlsLmNvbQAKCRDl9D+cJzTyhwDcEACavNXvndkyJcpzRRgkRBdb Sd1PYExEfAMGcEgKK0PAcj4b3lGpxXlyxLtOC1zXENYN+wirVY/LKTZ4JfYUCi6J O2rvpJ9/6yR2eQXSmTjH13pPG9lzyf7xiyWoDIezD2eltocfR5yMzPibuSg4Ja3S SOcKHiZ32nX5AoIeJikRO9KEKrin6llyk6Q8UDmFMKWnAbiMrMR0EoZJPAd4ljMV BsdwMfRuFieof7H7VdYfnnY7V/2ZMwDMhF3alYujEtHpnCCqALPw8IlzOq04Eny3 OBEvx0tPbukB91/UEuBwcLpbXDg2IfHJSHWxbLS5XecPeySWM6YPsA8qCImCJn07 oq746hOiLGyBiz98hnpaQ0r3aCwIgYonvDMHUYJQwbTm3daN580ojhraQrl3vnhR 1ZnPCyC3QXG4e1tG2Nni5+M55nr4LfuMWmT7Bu3BqKzY4lV+VoXyA4GlTcz3ihiX 6Tu/s9DqFXuUbEdQg4gWVYj59Y6Ui6l/EKM/vxc14Q+ME0vi2BIff1AhWD+FYWmV U98CvwQkJzcRJ4Dz+0aXkd+iSs7KZFkfLzqgf9XbVavMx5zsN4bB/hW8UWXX8K0h C2UI0B2GGQtto904GzvFF1ZUU66GzrL0/e/0aJsyaQT+IAe3L2/WgHzTc6HmwyzN dDR+mJj21sJSQuApMk6L2w== =/XSi -----END PGP SIGNATURE----- Mon Aug 10 16:39:02 UTC 2020 I: Checking whether the package is not for us Mon Aug 10 16:39:02 UTC 2020 I: Starting 1st build on remote node profitbricks-build12-i386.debian.net. Mon Aug 10 16:39:02 UTC 2020 I: Preparing to do remote build '1' on profitbricks-build12-i386.debian.net. Mon Aug 10 17:32:20 UTC 2020 I: Deleting $TMPDIR on profitbricks-build12-i386.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Mon Aug 10 04:39:09 -12 2020 I: pbuilder-time-stamp: 1597077549 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz] I: copying local configuration I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: using eatmydata during job I: Copying source file I: copying [cod-tools_2.3+dfsg-3.dsc] I: copying [./cod-tools_2.3+dfsg.orig.tar.xz] I: copying [./cod-tools_2.3+dfsg-3.debian.tar.xz] I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error gpgv: Signature made Sat Feb 2 21:34:26 2019 -12 gpgv: using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287 gpgv: issuer "andrius.merkys@gmail.com" gpgv: Can't check signature: No public key dpkg-source: warning: failed to verify signature on ./cod-tools_2.3+dfsg-3.dsc dpkg-source: info: extracting cod-tools in cod-tools-2.3+dfsg dpkg-source: info: unpacking cod-tools_2.3+dfsg.orig.tar.xz dpkg-source: info: unpacking cod-tools_2.3+dfsg-3.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying codcif-svnversion.diff dpkg-source: info: applying hardening.diff dpkg-source: info: applying distclean-tmp.diff dpkg-source: info: applying disable-test-network-access.diff dpkg-source: info: applying spglib.diff I: using fakeroot in build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/23084/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='i386' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10' DISTRIBUTION='' HOME='/root' HOST_ARCH='i386' IFS=' ' INVOCATION_ID='2e16941b8342405cab07e3c0ed92df75' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' LD_LIBRARY_PATH='/usr/lib/libeatmydata' LD_PRELOAD='libeatmydata.so' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='23084' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/pbuilderrc_voIn --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/b1 --logfile b1/build.log cod-tools_2.3+dfsg-3.dsc' SUDO_GID='112' SUDO_UID='107' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://78.137.99.97:3128' I: uname -a Linux profitbricks-build12-i386 4.19.0-10-686-pae #1 SMP Debian 4.19.132-1 (2020-07-24) i686 GNU/Linux I: ls -l /bin total 5476 -rwxr-xr-x 1 root root 1302248 Apr 17 2019 bash -rwxr-xr-x 3 root root 38280 Jul 10 2019 bunzip2 -rwxr-xr-x 3 root root 38280 Jul 10 2019 bzcat lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep -rwxr-xr-x 3 root root 38280 Jul 10 2019 bzip2 -rwxr-xr-x 1 root root 17768 Jul 10 2019 bzip2recover lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore -rwxr-xr-x 1 root root 38692 Feb 28 2019 cat -rwxr-xr-x 1 root root 75588 Feb 28 2019 chgrp -rwxr-xr-x 1 root root 63268 Feb 28 2019 chmod -rwxr-xr-x 1 root root 75588 Feb 28 2019 chown -rwxr-xr-x 1 root root 153732 Feb 28 2019 cp -rwxr-xr-x 1 root root 132820 Jan 17 2019 dash -rwxr-xr-x 1 root root 120676 Feb 28 2019 date -rwxr-xr-x 1 root root 92040 Feb 28 2019 dd -rwxr-xr-x 1 root root 100620 Feb 28 2019 df -rwxr-xr-x 1 root root 149736 Feb 28 2019 dir -rwxr-xr-x 1 root root 79412 Jan 9 2019 dmesg lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname -rwxr-xr-x 1 root root 34532 Feb 28 2019 echo -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep -rwxr-xr-x 1 root root 34532 Feb 28 2019 false -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep -rwxr-xr-x 1 root root 67700 Jan 9 2019 findmnt -rwsr-xr-x 1 root root 30112 Apr 22 07:38 fusermount -rwxr-xr-x 1 root root 206392 Jan 7 2019 grep -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe -rwxr-xr-x 1 root root 100952 Jan 5 2019 gzip -rwxr-xr-x 1 root root 21916 Sep 26 2018 hostname -rwxr-xr-x 1 root root 79752 Feb 28 2019 ln -rwxr-xr-x 1 root root 55400 Jul 26 2018 login -rwxr-xr-x 1 root root 149736 Feb 28 2019 ls -rwxr-xr-x 1 root root 112032 Jan 9 2019 lsblk -rwxr-xr-x 1 root root 87972 Feb 28 2019 mkdir -rwxr-xr-x 1 root root 79748 Feb 28 2019 mknod -rwxr-xr-x 1 root root 46916 Feb 28 2019 mktemp -rwxr-xr-x 1 root root 42348 Jan 9 2019 more -rwsr-xr-x 1 root root 50592 Jan 9 2019 mount -rwxr-xr-x 1 root root 13724 Jan 9 2019 mountpoint -rwxr-xr-x 1 root root 157832 Feb 28 2019 mv lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5 -rwxr-xr-x 1 root root 38660 Feb 28 2019 pwd lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash -rwxr-xr-x 1 root root 46852 Feb 28 2019 readlink -rwxr-xr-x 1 root root 75588 Feb 28 2019 rm -rwxr-xr-x 1 root root 42756 Feb 28 2019 rmdir -rwxr-xr-x 1 root root 22276 Jan 21 2019 run-parts -rwxr-xr-x 1 root root 125036 Dec 22 2018 sed lrwxrwxrwx 1 root root 4 Aug 9 20:25 sh -> dash -rwxr-xr-x 1 root root 34532 Feb 28 2019 sleep -rwxr-xr-x 1 root root 79652 Feb 28 2019 stty -rwsr-xr-x 1 root root 71072 Jan 9 2019 su -rwxr-xr-x 1 root root 34564 Feb 28 2019 sync -rwxr-xr-x 1 root root 504024 Apr 23 2019 tar -rwxr-xr-x 1 root root 13860 Jan 21 2019 tempfile -rwxr-xr-x 1 root root 104292 Feb 28 2019 touch -rwxr-xr-x 1 root root 34532 Feb 28 2019 true -rwxr-xr-x 1 root root 17768 Apr 22 07:38 ulockmgr_server -rwsr-xr-x 1 root root 30108 Jan 9 2019 umount -rwxr-xr-x 1 root root 34532 Feb 28 2019 uname -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress -rwxr-xr-x 1 root root 149736 Feb 28 2019 vdir -rwxr-xr-x 1 root root 34208 Jan 9 2019 wdctl -rwxr-xr-x 1 root root 946 Jan 21 2019 which lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew I: user script /srv/workspace/pbuilder/23084/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: i386 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: bison, debhelper (>= 11), dh-python, flex, gawk, libcapture-tiny-perl, libcarp-assert-perl, libchemistry-openbabel-perl, libclone-perl, libdate-calc-perl, libdatetime-format-rfc3339-perl, libdbd-mysql-perl, libdbd-sqlite3-perl, libdbi-perl, libdigest-sha-perl, libhtml-parser-perl, libjson-perl, liblist-moreutils-perl, libmodule-scandeps-perl, libparse-yapp-perl, libtext-diff-perl, libsymspg-dev, libwww-curl-perl, libxml-simple-perl, moreutils, perl, python3-all-dev, python-dev, python-setuptools, python3-dev, python3-setuptools, swig, tree dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19234 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on bison; however: Package bison is not installed. pbuilder-satisfydepends-dummy depends on debhelper (>= 11); however: Package debhelper is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on flex; however: Package flex is not installed. pbuilder-satisfydepends-dummy depends on gawk; however: Package gawk is not installed. pbuilder-satisfydepends-dummy depends on libcapture-tiny-perl; however: Package libcapture-tiny-perl is not installed. pbuilder-satisfydepends-dummy depends on libcarp-assert-perl; however: Package libcarp-assert-perl is not installed. pbuilder-satisfydepends-dummy depends on libchemistry-openbabel-perl; however: Package libchemistry-openbabel-perl is not installed. pbuilder-satisfydepends-dummy depends on libclone-perl; however: Package libclone-perl is not installed. pbuilder-satisfydepends-dummy depends on libdate-calc-perl; however: Package libdate-calc-perl is not installed. pbuilder-satisfydepends-dummy depends on libdatetime-format-rfc3339-perl; however: Package libdatetime-format-rfc3339-perl is not installed. pbuilder-satisfydepends-dummy depends on libdbd-mysql-perl; however: Package libdbd-mysql-perl is not installed. pbuilder-satisfydepends-dummy depends on libdbd-sqlite3-perl; however: Package libdbd-sqlite3-perl is not installed. pbuilder-satisfydepends-dummy depends on libdbi-perl; however: Package libdbi-perl is not installed. pbuilder-satisfydepends-dummy depends on libhtml-parser-perl; however: Package libhtml-parser-perl is not installed. pbuilder-satisfydepends-dummy depends on libjson-perl; however: Package libjson-perl is not installed. pbuilder-satisfydepends-dummy depends on liblist-moreutils-perl; however: Package liblist-moreutils-perl is not installed. pbuilder-satisfydepends-dummy depends on libmodule-scandeps-perl; however: Package libmodule-scandeps-perl is not installed. pbuilder-satisfydepends-dummy depends on libparse-yapp-perl; however: Package libparse-yapp-perl is not installed. pbuilder-satisfydepends-dummy depends on libtext-diff-perl; however: Package libtext-diff-perl is not installed. pbuilder-satisfydepends-dummy depends on libsymspg-dev; however: Package libsymspg-dev is not installed. pbuilder-satisfydepends-dummy depends on libwww-curl-perl; however: Package libwww-curl-perl is not installed. pbuilder-satisfydepends-dummy depends on libxml-simple-perl; however: Package libxml-simple-perl is not installed. pbuilder-satisfydepends-dummy depends on moreutils; however: Package moreutils is not installed. pbuilder-satisfydepends-dummy depends on python3-all-dev; however: Package python3-all-dev is not installed. pbuilder-satisfydepends-dummy depends on python-dev; however: Package python-dev is not installed. pbuilder-satisfydepends-dummy depends on python-setuptools; however: Package python-setuptools is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on tree; however: Package tree is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bison{a} bsdmainutils{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} dwz{a} file{a} flex{a} fontconfig-config{a} fonts-dejavu-core{a} gawk{a} gettext{a} gettext-base{a} groff-base{a} intltool-debian{a} libalgorithm-c3-perl{a} libalgorithm-diff-perl{a} libarchive-zip-perl{a} libb-hooks-endofscope-perl{a} libb-hooks-op-check-perl{a} libbison-dev{a} libbit-vector-perl{a} libbsd0{a} libcairo2{a} libcapture-tiny-perl{a} libcarp-assert-perl{a} libcarp-clan-perl{a} libchemistry-openbabel-perl{a} libclass-c3-perl{a} libclass-data-inheritable-perl{a} libclass-inspector-perl{a} libclass-method-modifiers-perl{a} libclass-singleton-perl{a} libclone-perl{a} libcroco3{a} libcurl3-gnutls{a} libdata-optlist-perl{a} libdate-calc-perl{a} libdatetime-format-rfc3339-perl{a} libdatetime-locale-perl{a} libdatetime-perl{a} libdatetime-timezone-perl{a} libdbd-mysql-perl{a} libdbd-sqlite3-perl{a} libdbi-perl{a} libdevel-callchecker-perl{a} libdevel-stacktrace-perl{a} libdynaloader-functions-perl{a} libelf1{a} libeval-closure-perl{a} libexception-class-perl{a} libexpat1{a} libexpat1-dev{a} libexporter-tiny-perl{a} libfile-sharedir-perl{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libglib2.0-0{a} libgssapi-krb5-2{a} libhtml-parser-perl{a} libhtml-tagset-perl{a} libicu63{a} libio-pty-perl{a} libipc-run-perl{a} libjson-perl{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} libldap-2.4-2{a} libldap-common{a} liblist-moreutils-perl{a} libmagic-mgc{a} libmagic1{a} libmariadb3{a} libmodule-implementation-perl{a} libmodule-runtime-perl{a} libmodule-scandeps-perl{a} libmpdec2{a} libmro-compat-perl{a} libnamespace-autoclean-perl{a} libnamespace-clean-perl{a} libncurses6{a} libnghttp2-14{a} libopenbabel5{a} libpackage-stash-perl{a} libparams-classify-perl{a} libparams-util-perl{a} libparams-validationcompiler-perl{a} libparse-yapp-perl{a} libpipeline1{a} libpixman-1-0{a} libpng16-16{a} libpsl5{a} libpython-dev{a} libpython-stdlib{a} libpython2-dev{a} libpython2-stdlib{a} libpython2.7{a} libpython2.7-dev{a} libpython2.7-minimal{a} libpython2.7-stdlib{a} libpython3-all-dev{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.7{a} libpython3.7-dev{a} libpython3.7-minimal{a} libpython3.7-stdlib{a} libreadline7{a} librole-tiny-perl{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsigsegv2{a} libspecio-perl{a} libssh2-1{a} libssl1.1{a} libsub-exporter-perl{a} libsub-exporter-progressive-perl{a} libsub-identify-perl{a} libsub-install-perl{a} libsub-name-perl{a} libsub-quote-perl{a} libsymspg-dev{a} libsymspg1{a} libtext-diff-perl{a} libtool{a} libtry-tiny-perl{a} libuchardet0{a} liburi-perl{a} libvariable-magic-perl{a} libwww-curl-perl{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxml-libxml-perl{a} libxml-namespacesupport-perl{a} libxml-sax-base-perl{a} libxml-sax-perl{a} libxml-simple-perl{a} libxml2{a} libxrender1{a} m4{a} man-db{a} mariadb-common{a} mime-support{a} moreutils{a} mysql-common{a} po-debconf{a} python{a} python-dev{a} python-minimal{a} python-pkg-resources{a} python-setuptools{a} python2{a} python2-dev{a} python2-minimal{a} python2.7{a} python2.7-dev{a} python2.7-minimal{a} python3{a} python3-all{a} python3-all-dev{a} python3-dev{a} python3-distutils{a} python3-lib2to3{a} python3-minimal{a} python3-pkg-resources{a} python3-setuptools{a} python3.7{a} python3.7-dev{a} python3.7-minimal{a} readline-common{a} sensible-utils{a} swig{a} swig3.0{a} tree{a} ucf{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl krb5-locales libalgorithm-diff-xs-perl libarchive-cpio-perl libclass-c3-xs-perl libclass-xsaccessor-perl libdate-calc-xs-perl libdevel-lexalias-perl libfl-dev libglib2.0-data libgpm2 libhttp-message-perl libjson-xs-perl libltdl-dev libmail-sendmail-perl libpackage-stash-xs-perl libref-util-perl libsasl2-modules libwww-perl libxml-sax-expat-perl lynx publicsuffix shared-mime-info wget xdg-user-dirs 0 packages upgraded, 190 newly installed, 0 to remove and 0 not upgraded. Need to get 136 MB of archives. After unpacking 340 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian buster/main i386 libbsd0 i386 0.9.1-2 [104 kB] Get: 2 http://deb.debian.org/debian buster/main i386 bsdmainutils i386 11.1.2+b1 [193 kB] Get: 3 http://deb.debian.org/debian buster/main i386 libuchardet0 i386 0.0.6-3 [65.2 kB] Get: 4 http://deb.debian.org/debian buster/main i386 groff-base i386 1.22.4-3 [935 kB] Get: 5 http://deb.debian.org/debian buster/main i386 libpipeline1 i386 1.5.1-2 [33.3 kB] Get: 6 http://deb.debian.org/debian buster/main i386 man-db i386 2.8.5-2 [1284 kB] Get: 7 http://deb.debian.org/debian buster/main i386 libpython2.7-minimal i386 2.7.16-2+deb10u1 [395 kB] Get: 8 http://deb.debian.org/debian buster/main i386 python2.7-minimal i386 2.7.16-2+deb10u1 [1381 kB] Get: 9 http://deb.debian.org/debian buster/main i386 python2-minimal i386 2.7.16-1 [41.4 kB] Get: 10 http://deb.debian.org/debian buster/main i386 python-minimal i386 2.7.16-1 [21.0 kB] Get: 11 http://deb.debian.org/debian buster/main i386 libssl1.1 i386 1.1.1d-0+deb10u3 [1537 kB] Get: 12 http://deb.debian.org/debian buster/main i386 mime-support all 3.62 [37.2 kB] Get: 13 http://deb.debian.org/debian buster/main i386 libexpat1 i386 2.2.6-2+deb10u1 [104 kB] Get: 14 http://deb.debian.org/debian buster/main i386 readline-common all 7.0-5 [70.6 kB] Get: 15 http://deb.debian.org/debian buster/main i386 libreadline7 i386 7.0-5 [156 kB] Get: 16 http://deb.debian.org/debian buster/main i386 libpython2.7-stdlib i386 2.7.16-2+deb10u1 [1934 kB] Get: 17 http://deb.debian.org/debian buster/main i386 python2.7 i386 2.7.16-2+deb10u1 [305 kB] Get: 18 http://deb.debian.org/debian buster/main i386 libpython2-stdlib i386 2.7.16-1 [20.8 kB] Get: 19 http://deb.debian.org/debian buster/main i386 libpython-stdlib i386 2.7.16-1 [20.8 kB] Get: 20 http://deb.debian.org/debian buster/main i386 python2 i386 2.7.16-1 [41.6 kB] Get: 21 http://deb.debian.org/debian buster/main i386 python i386 2.7.16-1 [22.8 kB] Get: 22 http://deb.debian.org/debian buster/main i386 libsigsegv2 i386 2.12-2 [33.2 kB] Get: 23 http://deb.debian.org/debian buster/main i386 m4 i386 1.4.18-2 [205 kB] Get: 24 http://deb.debian.org/debian buster/main i386 flex i386 2.6.4-6.2 [446 kB] Get: 25 http://deb.debian.org/debian buster/main i386 gawk i386 1:4.2.1+dfsg-1 [668 kB] Get: 26 http://deb.debian.org/debian buster/main i386 libpython3.7-minimal i386 3.7.3-2+deb10u2 [590 kB] Get: 27 http://deb.debian.org/debian buster/main i386 python3.7-minimal i386 3.7.3-2+deb10u2 [1746 kB] Get: 28 http://deb.debian.org/debian buster/main i386 python3-minimal i386 3.7.3-1 [36.6 kB] Get: 29 http://deb.debian.org/debian buster/main i386 libmpdec2 i386 2.4.2-2 [83.2 kB] Get: 30 http://deb.debian.org/debian buster/main i386 libpython3.7-stdlib i386 3.7.3-2+deb10u2 [1751 kB] Get: 31 http://deb.debian.org/debian buster/main i386 python3.7 i386 3.7.3-2+deb10u2 [330 kB] Get: 32 http://deb.debian.org/debian buster/main i386 libpython3-stdlib i386 3.7.3-1 [20.0 kB] Get: 33 http://deb.debian.org/debian buster/main i386 python3 i386 3.7.3-1 [61.5 kB] Get: 34 http://deb.debian.org/debian buster/main i386 sensible-utils all 0.0.12 [15.8 kB] Get: 35 http://deb.debian.org/debian buster/main i386 libmagic-mgc i386 1:5.35-4+deb10u1 [242 kB] Get: 36 http://deb.debian.org/debian buster/main i386 libmagic1 i386 1:5.35-4+deb10u1 [124 kB] Get: 37 http://deb.debian.org/debian buster/main i386 file i386 1:5.35-4+deb10u1 [66.3 kB] Get: 38 http://deb.debian.org/debian buster/main i386 gettext-base i386 0.19.8.1-9 [124 kB] Get: 39 http://deb.debian.org/debian buster/main i386 ucf all 3.0038+nmu1 [69.0 kB] Get: 40 http://deb.debian.org/debian buster/main i386 autoconf all 2.69-11 [341 kB] Get: 41 http://deb.debian.org/debian buster/main i386 autotools-dev all 20180224.1 [77.0 kB] Get: 42 http://deb.debian.org/debian buster/main i386 automake all 1:1.16.1-4 [771 kB] Get: 43 http://deb.debian.org/debian buster/main i386 autopoint all 0.19.8.1-9 [434 kB] Get: 44 http://deb.debian.org/debian buster/main i386 libbison-dev i386 2:3.3.2.dfsg-1 [500 kB] Get: 45 http://deb.debian.org/debian buster/main i386 bison i386 2:3.3.2.dfsg-1 [877 kB] Get: 46 http://deb.debian.org/debian buster/main i386 libtool all 2.4.6-9 [547 kB] Get: 47 http://deb.debian.org/debian buster/main i386 dh-autoreconf all 19 [16.9 kB] Get: 48 http://deb.debian.org/debian buster/main i386 libarchive-zip-perl all 1.64-1 [96.8 kB] Get: 49 http://deb.debian.org/debian buster/main i386 libfile-stripnondeterminism-perl all 1.1.2-1 [19.8 kB] Get: 50 http://deb.debian.org/debian buster/main i386 dh-strip-nondeterminism all 1.1.2-1 [13.0 kB] Get: 51 http://deb.debian.org/debian buster/main i386 libelf1 i386 0.176-1.1 [166 kB] Get: 52 http://deb.debian.org/debian buster/main i386 dwz i386 0.12-3 [81.4 kB] Get: 53 http://deb.debian.org/debian buster/main i386 libglib2.0-0 i386 2.58.3-2+deb10u2 [1334 kB] Get: 54 http://deb.debian.org/debian buster/main i386 libicu63 i386 63.1-6+deb10u1 [8451 kB] Get: 55 http://deb.debian.org/debian buster/main i386 libxml2 i386 2.9.4+dfsg1-7+b3 [721 kB] Get: 56 http://deb.debian.org/debian buster/main i386 libcroco3 i386 0.6.12-3 [151 kB] Get: 57 http://deb.debian.org/debian buster/main i386 libncurses6 i386 6.1+20181013-2+deb10u2 [109 kB] Get: 58 http://deb.debian.org/debian buster/main i386 gettext i386 0.19.8.1-9 [1314 kB] Get: 59 http://deb.debian.org/debian buster/main i386 intltool-debian all 0.35.0+20060710.5 [26.8 kB] Get: 60 http://deb.debian.org/debian buster/main i386 po-debconf all 1.0.21 [248 kB] Get: 61 http://deb.debian.org/debian buster/main i386 debhelper all 12.1.1 [1016 kB] Get: 62 http://deb.debian.org/debian buster/main i386 python3-lib2to3 all 3.7.3-1 [76.7 kB] Get: 63 http://deb.debian.org/debian buster/main i386 python3-distutils all 3.7.3-1 [142 kB] Get: 64 http://deb.debian.org/debian buster/main i386 dh-python all 3.20190308 [99.3 kB] Get: 65 http://deb.debian.org/debian buster/main i386 fonts-dejavu-core all 2.37-1 [1068 kB] Get: 66 http://deb.debian.org/debian buster/main i386 fontconfig-config all 2.13.1-2 [280 kB] Get: 67 http://deb.debian.org/debian buster/main i386 libalgorithm-c3-perl all 0.10-1 [12.0 kB] Get: 68 http://deb.debian.org/debian buster/main i386 libalgorithm-diff-perl all 1.19.03-2 [47.9 kB] Get: 69 http://deb.debian.org/debian buster/main i386 libb-hooks-op-check-perl i386 0.22-1+b1 [11.5 kB] Get: 70 http://deb.debian.org/debian buster/main i386 libdynaloader-functions-perl all 0.003-1 [12.6 kB] Get: 71 http://deb.debian.org/debian buster/main i386 libdevel-callchecker-perl i386 0.008-1 [15.7 kB] Get: 72 http://deb.debian.org/debian buster/main i386 libparams-classify-perl i386 0.015-1+b1 [26.1 kB] Get: 73 http://deb.debian.org/debian buster/main i386 libmodule-runtime-perl all 0.016-1 [19.4 kB] Get: 74 http://deb.debian.org/debian buster/main i386 libtry-tiny-perl all 0.30-1 [23.3 kB] Get: 75 http://deb.debian.org/debian buster/main i386 libmodule-implementation-perl all 0.09-1 [12.9 kB] Get: 76 http://deb.debian.org/debian buster/main i386 libsub-exporter-progressive-perl all 0.001013-1 [7588 B] Get: 77 http://deb.debian.org/debian buster/main i386 libvariable-magic-perl i386 0.62-1+b1 [46.7 kB] Get: 78 http://deb.debian.org/debian buster/main i386 libb-hooks-endofscope-perl all 0.24-1 [18.6 kB] Get: 79 http://deb.debian.org/debian buster/main i386 libcarp-clan-perl all 6.07-1 [15.3 kB] Get: 80 http://deb.debian.org/debian buster/main i386 libbit-vector-perl i386 7.4-1+b5 [150 kB] Get: 81 http://deb.debian.org/debian buster/main i386 libpng16-16 i386 1.6.36-6 [301 kB] Get: 82 http://deb.debian.org/debian buster/main i386 libfreetype6 i386 2.9.1-3+deb10u1 [395 kB] Get: 83 http://deb.debian.org/debian buster/main i386 libfontconfig1 i386 2.13.1-2 [357 kB] Get: 84 http://deb.debian.org/debian buster/main i386 libpixman-1-0 i386 0.36.0-1 [541 kB] Get: 85 http://deb.debian.org/debian buster/main i386 libxau6 i386 1:1.0.8-1+b2 [20.3 kB] Get: 86 http://deb.debian.org/debian buster/main i386 libxdmcp6 i386 1:1.1.2-3 [26.7 kB] Get: 87 http://deb.debian.org/debian buster/main i386 libxcb1 i386 1.13.1-2 [141 kB] Get: 88 http://deb.debian.org/debian buster/main i386 libx11-data all 2:1.6.7-1 [298 kB] Get: 89 http://deb.debian.org/debian buster/main i386 libx11-6 i386 2:1.6.7-1 [778 kB] Get: 90 http://deb.debian.org/debian buster/main i386 libxcb-render0 i386 1.13.1-2 [110 kB] Get: 91 http://deb.debian.org/debian buster/main i386 libxcb-shm0 i386 1.13.1-2 [99.4 kB] Get: 92 http://deb.debian.org/debian buster/main i386 libxext6 i386 2:1.3.3-1+b2 [55.2 kB] Get: 93 http://deb.debian.org/debian buster/main i386 libxrender1 i386 1:0.9.10-1 [34.1 kB] Get: 94 http://deb.debian.org/debian buster/main i386 libcairo2 i386 1.16.0-4 [744 kB] Get: 95 http://deb.debian.org/debian buster/main i386 libcapture-tiny-perl all 0.48-1 [26.0 kB] Get: 96 http://deb.debian.org/debian buster/main i386 libcarp-assert-perl all 0.21-1 [18.2 kB] Get: 97 http://deb.debian.org/debian buster/main i386 libopenbabel5 i386 2.4.1+dfsg-3 [3144 kB] Get: 98 http://deb.debian.org/debian buster/main i386 libchemistry-openbabel-perl i386 2.4.1+dfsg-3 [676 kB] Get: 99 http://deb.debian.org/debian buster/main i386 libclass-c3-perl all 0.34-1 [22.4 kB] Get: 100 http://deb.debian.org/debian buster/main i386 libclass-data-inheritable-perl all 0.08-3 [8588 B] Get: 101 http://deb.debian.org/debian buster/main i386 libclass-inspector-perl all 1.32-1 [19.1 kB] Get: 102 http://deb.debian.org/debian buster/main i386 libclass-method-modifiers-perl all 2.12-1 [18.6 kB] Get: 103 http://deb.debian.org/debian buster/main i386 libclass-singleton-perl all 1.5-1 [13.5 kB] Get: 104 http://deb.debian.org/debian buster/main i386 libclone-perl i386 0.41-1+b1 [14.8 kB] Get: 105 http://deb.debian.org/debian buster/main i386 libkeyutils1 i386 1.6-6 [15.4 kB] Get: 106 http://deb.debian.org/debian buster/main i386 libkrb5support0 i386 1.17-3 [68.6 kB] Get: 107 http://deb.debian.org/debian buster/main i386 libk5crypto3 i386 1.17-3 [126 kB] Get: 108 http://deb.debian.org/debian buster/main i386 libkrb5-3 i386 1.17-3 [396 kB] Get: 109 http://deb.debian.org/debian buster/main i386 libgssapi-krb5-2 i386 1.17-3 [168 kB] Get: 110 http://deb.debian.org/debian buster/main i386 libsasl2-modules-db i386 2.1.27+dfsg-1+deb10u1 [70.1 kB] Get: 111 http://deb.debian.org/debian buster/main i386 libsasl2-2 i386 2.1.27+dfsg-1+deb10u1 [110 kB] Get: 112 http://deb.debian.org/debian buster/main i386 libldap-common all 2.4.47+dfsg-3+deb10u2 [89.7 kB] Get: 113 http://deb.debian.org/debian buster/main i386 libldap-2.4-2 i386 2.4.47+dfsg-3+deb10u2 [236 kB] Get: 114 http://deb.debian.org/debian buster/main i386 libnghttp2-14 i386 1.36.0-2+deb10u1 [90.3 kB] Get: 115 http://deb.debian.org/debian buster/main i386 libpsl5 i386 0.20.2-2 [54.4 kB] Get: 116 http://deb.debian.org/debian buster/main i386 librtmp1 i386 2.4+20151223.gitfa8646d.1-2 [64.2 kB] Get: 117 http://deb.debian.org/debian buster/main i386 libssh2-1 i386 1.8.0-2.1 [147 kB] Get: 118 http://deb.debian.org/debian buster/main i386 libcurl3-gnutls i386 7.64.0-4+deb10u1 [355 kB] Get: 119 http://deb.debian.org/debian buster/main i386 libparams-util-perl i386 1.07-3+b4 [23.7 kB] Get: 120 http://deb.debian.org/debian buster/main i386 libsub-install-perl all 0.928-1 [11.4 kB] Get: 121 http://deb.debian.org/debian buster/main i386 libdata-optlist-perl all 0.110-1 [10.6 kB] Get: 122 http://deb.debian.org/debian buster/main i386 libdate-calc-perl all 6.4-1 [194 kB] Get: 123 http://deb.debian.org/debian buster/main i386 libfile-sharedir-perl all 1.116-2 [16.7 kB] Get: 124 http://deb.debian.org/debian buster/main i386 libpackage-stash-perl all 0.38-1 [21.7 kB] Get: 125 http://deb.debian.org/debian buster/main i386 libsub-identify-perl i386 0.14-1+b1 [12.2 kB] Get: 126 http://deb.debian.org/debian buster/main i386 libsub-name-perl i386 0.21-1+b3 [13.9 kB] Get: 127 http://deb.debian.org/debian buster/main i386 libnamespace-clean-perl all 0.27-1 [17.3 kB] Get: 128 http://deb.debian.org/debian buster/main i386 libnamespace-autoclean-perl all 0.28-1 [14.7 kB] Get: 129 http://deb.debian.org/debian buster/main i386 libsub-exporter-perl all 0.987-1 [47.2 kB] Get: 130 http://deb.debian.org/debian buster/main i386 libeval-closure-perl all 0.14-1 [11.5 kB] Get: 131 http://deb.debian.org/debian buster/main i386 libdevel-stacktrace-perl all 2.0300-1 [28.0 kB] Get: 132 http://deb.debian.org/debian buster/main i386 libexception-class-perl all 1.44-1 [32.3 kB] Get: 133 http://deb.debian.org/debian buster/main i386 libparams-validationcompiler-perl all 0.30-1 [31.6 kB] Get: 134 http://deb.debian.org/debian buster/main i386 libmro-compat-perl all 0.13-1 [12.2 kB] Get: 135 http://deb.debian.org/debian buster/main i386 librole-tiny-perl all 2.000006-1 [19.4 kB] Get: 136 http://deb.debian.org/debian buster/main i386 libsub-quote-perl all 2.005001-1 [17.9 kB] Get: 137 http://deb.debian.org/debian buster/main i386 libspecio-perl all 0.43-1 [142 kB] Get: 138 http://deb.debian.org/debian buster/main i386 libdatetime-locale-perl all 1:1.23-1 [2351 kB] Get: 139 http://deb.debian.org/debian buster/main i386 libdatetime-timezone-perl all 1:2.23-1+2020a [279 kB] Get: 140 http://deb.debian.org/debian buster/main i386 libdatetime-perl i386 2:1.50-1+b1 [120 kB] Get: 141 http://deb.debian.org/debian buster/main i386 libdatetime-format-rfc3339-perl all 1.2.0-1 [10.4 kB] Get: 142 http://deb.debian.org/debian buster/main i386 libdbi-perl i386 1.642-1+b1 [779 kB] Get: 143 http://deb.debian.org/debian buster/main i386 mysql-common all 5.8+1.0.5 [7324 B] Get: 144 http://deb.debian.org/debian buster/main i386 mariadb-common all 1:10.3.23-0+deb10u1 [32.0 kB] Get: 145 http://deb.debian.org/debian buster/main i386 libmariadb3 i386 1:10.3.23-0+deb10u1 [170 kB] Get: 146 http://deb.debian.org/debian buster/main i386 libdbd-mysql-perl i386 4.050-2 [125 kB] Get: 147 http://deb.debian.org/debian buster/main i386 libdbd-sqlite3-perl i386 1.62-3 [180 kB] Get: 148 http://deb.debian.org/debian buster/main i386 libexpat1-dev i386 2.2.6-2+deb10u1 [156 kB] Get: 149 http://deb.debian.org/debian buster/main i386 libexporter-tiny-perl all 1.002001-1 [36.9 kB] Get: 150 http://deb.debian.org/debian buster/main i386 libhtml-tagset-perl all 3.20-3 [12.7 kB] Get: 151 http://deb.debian.org/debian buster/main i386 liburi-perl all 1.76-1 [89.9 kB] Get: 152 http://deb.debian.org/debian buster/main i386 libhtml-parser-perl i386 3.72-3+b3 [106 kB] Get: 153 http://deb.debian.org/debian buster/main i386 libio-pty-perl i386 1:1.08-1.1+b5 [34.4 kB] Get: 154 http://deb.debian.org/debian buster/main i386 libipc-run-perl all 20180523.0-1 [101 kB] Get: 155 http://deb.debian.org/debian buster/main i386 libjson-perl all 4.02000-1 [88.8 kB] Get: 156 http://deb.debian.org/debian buster/main i386 liblist-moreutils-perl i386 0.416-1+b4 [64.6 kB] Get: 157 http://deb.debian.org/debian buster/main i386 libmodule-scandeps-perl all 1.27-1 [44.0 kB] Get: 158 http://deb.debian.org/debian buster/main i386 libparse-yapp-perl all 1.21-2 [46.9 kB] Get: 159 http://deb.debian.org/debian buster/main i386 libpython2.7 i386 2.7.16-2+deb10u1 [1059 kB] Get: 160 http://deb.debian.org/debian buster/main i386 libpython2.7-dev i386 2.7.16-2+deb10u1 [31.4 MB] Get: 161 http://deb.debian.org/debian buster/main i386 libpython2-dev i386 2.7.16-1 [20.9 kB] Get: 162 http://deb.debian.org/debian buster/main i386 libpython-dev i386 2.7.16-1 [20.9 kB] Get: 163 http://deb.debian.org/debian buster/main i386 libpython3.7 i386 3.7.3-2+deb10u2 [1508 kB] Get: 164 http://deb.debian.org/debian buster/main i386 libpython3.7-dev i386 3.7.3-2+deb10u2 [47.7 MB] Get: 165 http://deb.debian.org/debian buster/main i386 libpython3-dev i386 3.7.3-1 [20.2 kB] Get: 166 http://deb.debian.org/debian buster/main i386 libpython3-all-dev i386 3.7.3-1 [1068 B] Get: 167 http://deb.debian.org/debian buster/main i386 libsymspg1 i386 1.12.2-1 [87.0 kB] Get: 168 http://deb.debian.org/debian buster/main i386 libsymspg-dev i386 1.12.2-1 [95.6 kB] Get: 169 http://deb.debian.org/debian buster/main i386 libtext-diff-perl all 1.45-1 [27.7 kB] Get: 170 http://deb.debian.org/debian buster/main i386 libwww-curl-perl i386 4.17-5 [61.3 kB] Get: 171 http://deb.debian.org/debian buster/main i386 libxml-namespacesupport-perl all 1.12-1 [14.8 kB] Get: 172 http://deb.debian.org/debian buster/main i386 libxml-sax-base-perl all 1.09-1 [20.4 kB] Get: 173 http://deb.debian.org/debian buster/main i386 libxml-sax-perl all 1.00+dfsg-1 [58.6 kB] Get: 174 http://deb.debian.org/debian buster/main i386 libxml-libxml-perl i386 2.0134+dfsg-1 [362 kB] Get: 175 http://deb.debian.org/debian buster/main i386 libxml-simple-perl all 2.25-1 [72.0 kB] Get: 176 http://deb.debian.org/debian buster/main i386 moreutils i386 0.62-1 [73.5 kB] Get: 177 http://deb.debian.org/debian buster/main i386 python2.7-dev i386 2.7.16-2+deb10u1 [295 kB] Get: 178 http://deb.debian.org/debian buster/main i386 python2-dev i386 2.7.16-1 [1208 B] Get: 179 http://deb.debian.org/debian buster/main i386 python-dev i386 2.7.16-1 [1184 B] Get: 180 http://deb.debian.org/debian buster/main i386 python-pkg-resources all 40.8.0-1 [182 kB] Get: 181 http://deb.debian.org/debian buster/main i386 python-setuptools all 40.8.0-1 [382 kB] Get: 182 http://deb.debian.org/debian buster/main i386 python3-all i386 3.7.3-1 [1068 B] Get: 183 http://deb.debian.org/debian buster/main i386 python3.7-dev i386 3.7.3-2+deb10u2 [509 kB] Get: 184 http://deb.debian.org/debian buster/main i386 python3-dev i386 3.7.3-1 [1260 B] Get: 185 http://deb.debian.org/debian buster/main i386 python3-all-dev i386 3.7.3-1 [1068 B] Get: 186 http://deb.debian.org/debian buster/main i386 python3-pkg-resources all 40.8.0-1 [153 kB] Get: 187 http://deb.debian.org/debian buster/main i386 python3-setuptools all 40.8.0-1 [306 kB] Get: 188 http://deb.debian.org/debian buster/main i386 swig3.0 i386 3.0.12-2 [1456 kB] Get: 189 http://deb.debian.org/debian buster/main i386 swig i386 3.0.12-2 [310 kB] Get: 190 http://deb.debian.org/debian buster/main i386 tree i386 1.8.0-1 [51.3 kB] Fetched 136 MB in 47s (2928 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libbsd0:i386. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19234 files and directories currently installed.) Preparing to unpack .../00-libbsd0_0.9.1-2_i386.deb ... Unpacking libbsd0:i386 (0.9.1-2) ... Selecting previously unselected package bsdmainutils. Preparing to unpack .../01-bsdmainutils_11.1.2+b1_i386.deb ... Unpacking bsdmainutils (11.1.2+b1) ... Selecting previously unselected package libuchardet0:i386. Preparing to unpack .../02-libuchardet0_0.0.6-3_i386.deb ... Unpacking libuchardet0:i386 (0.0.6-3) ... Selecting previously unselected package groff-base. Preparing to unpack .../03-groff-base_1.22.4-3_i386.deb ... Unpacking groff-base (1.22.4-3) ... Selecting previously unselected package libpipeline1:i386. Preparing to unpack .../04-libpipeline1_1.5.1-2_i386.deb ... Unpacking libpipeline1:i386 (1.5.1-2) ... Selecting previously unselected package man-db. Preparing to unpack .../05-man-db_2.8.5-2_i386.deb ... Unpacking man-db (2.8.5-2) ... Selecting previously unselected package libpython2.7-minimal:i386. Preparing to unpack .../06-libpython2.7-minimal_2.7.16-2+deb10u1_i386.deb ... Unpacking libpython2.7-minimal:i386 (2.7.16-2+deb10u1) ... Selecting previously unselected package python2.7-minimal. Preparing to unpack .../07-python2.7-minimal_2.7.16-2+deb10u1_i386.deb ... Unpacking python2.7-minimal (2.7.16-2+deb10u1) ... Selecting previously unselected package python2-minimal. Preparing to unpack .../08-python2-minimal_2.7.16-1_i386.deb ... Unpacking python2-minimal (2.7.16-1) ... Selecting previously unselected package python-minimal. Preparing to unpack .../09-python-minimal_2.7.16-1_i386.deb ... Unpacking python-minimal (2.7.16-1) ... Selecting previously unselected package libssl1.1:i386. Preparing to unpack .../10-libssl1.1_1.1.1d-0+deb10u3_i386.deb ... Unpacking libssl1.1:i386 (1.1.1d-0+deb10u3) ... Selecting previously unselected package mime-support. Preparing to unpack .../11-mime-support_3.62_all.deb ... Unpacking mime-support (3.62) ... Selecting previously unselected package libexpat1:i386. Preparing to unpack .../12-libexpat1_2.2.6-2+deb10u1_i386.deb ... Unpacking libexpat1:i386 (2.2.6-2+deb10u1) ... Selecting previously unselected package readline-common. Preparing to unpack .../13-readline-common_7.0-5_all.deb ... Unpacking readline-common (7.0-5) ... Selecting previously unselected package libreadline7:i386. Preparing to unpack .../14-libreadline7_7.0-5_i386.deb ... Unpacking libreadline7:i386 (7.0-5) ... Selecting previously unselected package libpython2.7-stdlib:i386. Preparing to unpack .../15-libpython2.7-stdlib_2.7.16-2+deb10u1_i386.deb ... Unpacking libpython2.7-stdlib:i386 (2.7.16-2+deb10u1) ... Selecting previously unselected package python2.7. Preparing to unpack .../16-python2.7_2.7.16-2+deb10u1_i386.deb ... Unpacking python2.7 (2.7.16-2+deb10u1) ... Selecting previously unselected package libpython2-stdlib:i386. Preparing to unpack .../17-libpython2-stdlib_2.7.16-1_i386.deb ... Unpacking libpython2-stdlib:i386 (2.7.16-1) ... Selecting previously unselected package libpython-stdlib:i386. Preparing to unpack .../18-libpython-stdlib_2.7.16-1_i386.deb ... Unpacking libpython-stdlib:i386 (2.7.16-1) ... Setting up libpython2.7-minimal:i386 (2.7.16-2+deb10u1) ... Setting up python2.7-minimal (2.7.16-2+deb10u1) ... Setting up python2-minimal (2.7.16-1) ... Selecting previously unselected package python2. (Reading database ... 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(Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20732 files and directories currently installed.) Preparing to unpack .../python_2.7.16-1_i386.deb ... Unpacking python (2.7.16-1) ... Selecting previously unselected package libsigsegv2:i386. Preparing to unpack .../libsigsegv2_2.12-2_i386.deb ... Unpacking libsigsegv2:i386 (2.12-2) ... Selecting previously unselected package m4. Preparing to unpack .../archives/m4_1.4.18-2_i386.deb ... Unpacking m4 (1.4.18-2) ... Selecting previously unselected package flex. Preparing to unpack .../flex_2.6.4-6.2_i386.deb ... Unpacking flex (2.6.4-6.2) ... Setting up readline-common (7.0-5) ... Setting up libreadline7:i386 (7.0-5) ... Setting up libsigsegv2:i386 (2.12-2) ... Selecting previously unselected package gawk. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20913 files and directories currently installed.) Preparing to unpack .../gawk_1%3a4.2.1+dfsg-1_i386.deb ... Unpacking gawk (1:4.2.1+dfsg-1) ... Selecting previously unselected package libpython3.7-minimal:i386. Preparing to unpack .../libpython3.7-minimal_3.7.3-2+deb10u2_i386.deb ... Unpacking libpython3.7-minimal:i386 (3.7.3-2+deb10u2) ... Selecting previously unselected package python3.7-minimal. Preparing to unpack .../python3.7-minimal_3.7.3-2+deb10u2_i386.deb ... Unpacking python3.7-minimal (3.7.3-2+deb10u2) ... Setting up libssl1.1:i386 (1.1.1d-0+deb10u3) ... Setting up libpython3.7-minimal:i386 (3.7.3-2+deb10u2) ... Setting up libexpat1:i386 (2.2.6-2+deb10u1) ... Setting up python3.7-minimal (3.7.3-2+deb10u2) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21322 files and directories currently installed.) Preparing to unpack .../python3-minimal_3.7.3-1_i386.deb ... Unpacking python3-minimal (3.7.3-1) ... Selecting previously unselected package libmpdec2:i386. Preparing to unpack .../libmpdec2_2.4.2-2_i386.deb ... Unpacking libmpdec2:i386 (2.4.2-2) ... Selecting previously unselected package libpython3.7-stdlib:i386. Preparing to unpack .../libpython3.7-stdlib_3.7.3-2+deb10u2_i386.deb ... Unpacking libpython3.7-stdlib:i386 (3.7.3-2+deb10u2) ... Selecting previously unselected package python3.7. Preparing to unpack .../python3.7_3.7.3-2+deb10u2_i386.deb ... Unpacking python3.7 (3.7.3-2+deb10u2) ... Selecting previously unselected package libpython3-stdlib:i386. Preparing to unpack .../libpython3-stdlib_3.7.3-1_i386.deb ... Unpacking libpython3-stdlib:i386 (3.7.3-1) ... Setting up python3-minimal (3.7.3-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21734 files and directories currently installed.) Preparing to unpack .../000-python3_3.7.3-1_i386.deb ... Unpacking python3 (3.7.3-1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../001-sensible-utils_0.0.12_all.deb ... Unpacking sensible-utils (0.0.12) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../002-libmagic-mgc_1%3a5.35-4+deb10u1_i386.deb ... Unpacking libmagic-mgc (1:5.35-4+deb10u1) ... Selecting previously unselected package libmagic1:i386. Preparing to unpack .../003-libmagic1_1%3a5.35-4+deb10u1_i386.deb ... Unpacking libmagic1:i386 (1:5.35-4+deb10u1) ... Selecting previously unselected package file. Preparing to unpack .../004-file_1%3a5.35-4+deb10u1_i386.deb ... Unpacking file (1:5.35-4+deb10u1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../005-gettext-base_0.19.8.1-9_i386.deb ... Unpacking gettext-base (0.19.8.1-9) ... Selecting previously unselected package ucf. Preparing to unpack .../006-ucf_3.0038+nmu1_all.deb ... Moving old data out of the way Unpacking ucf (3.0038+nmu1) ... Selecting previously unselected package autoconf. Preparing to unpack .../007-autoconf_2.69-11_all.deb ... Unpacking autoconf (2.69-11) ... Selecting previously unselected package autotools-dev. Preparing to unpack .../008-autotools-dev_20180224.1_all.deb ... Unpacking autotools-dev (20180224.1) ... Selecting previously unselected package automake. Preparing to unpack .../009-automake_1%3a1.16.1-4_all.deb ... Unpacking automake (1:1.16.1-4) ... Selecting previously unselected package autopoint. Preparing to unpack .../010-autopoint_0.19.8.1-9_all.deb ... Unpacking autopoint (0.19.8.1-9) ... Selecting previously unselected package libbison-dev:i386. Preparing to unpack .../011-libbison-dev_2%3a3.3.2.dfsg-1_i386.deb ... Unpacking libbison-dev:i386 (2:3.3.2.dfsg-1) ... Selecting previously unselected package bison. Preparing to unpack .../012-bison_2%3a3.3.2.dfsg-1_i386.deb ... Unpacking bison (2:3.3.2.dfsg-1) ... Selecting previously unselected package libtool. Preparing to unpack .../013-libtool_2.4.6-9_all.deb ... Unpacking libtool (2.4.6-9) ... Selecting previously unselected package dh-autoreconf. Preparing to unpack .../014-dh-autoreconf_19_all.deb ... Unpacking dh-autoreconf (19) ... Selecting previously unselected package libarchive-zip-perl. 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Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps Reading package lists... Building dependency tree... Reading state information... fakeroot is already the newest version (1.23-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package I: Running cd /build/cod-tools-2.3+dfsg/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b dpkg-buildpackage: info: source package cod-tools dpkg-buildpackage: info: source version 2.3+dfsg-3 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Andrius Merkys dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 fakeroot debian/rules clean dh clean --with python2,python3 --no-parallel dh_auto_clean -O--no-parallel make -j1 distclean make[1]: Entering directory '/build/cod-tools-2.3+dfsg' rm -f *~ rm -f ./tests/outputs/cif-to-utf8_001.diff ./tests/outputs/cif-to-utf8_002.diff ./tests/outputs/cif-to-utf8_003.diff ./tests/outputs/cif-to-utf8_004.diff ./tests/outputs/cif-to-utf8_005.diff ./tests/outputs/cif2cod_001.diff ./tests/outputs/cif2cod_002.diff ./tests/outputs/cif2cod_003.diff ./tests/outputs/cif2cod_004.diff 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doc/man/cod_predeposition_check.1 doc/man/codcif2sdf.1 doc/man/dic2markdown.1 doc/man/fetch_cif_dict.1 doc/man/find_numbers.1 doc/man/formula_sum.1 doc/man/json2cif.1 doc/man/molcif2sdf.1 doc/man/msg_parse.1 doc/man/oqmd2cif.1 doc/man/sdf_add_cod_data.1 doc/man/ssg3d.1 doc/man/ssg_symop_canonical.1 doc/man/ssg_symop_check.1 doc/man/ssg_symop_matrices.1 doc/man/ssg_symop_string.1 doc/man/symop_build_spacegroup.1 doc/man/utf8-to-cif.1 doc/man/cif_printout_Python.1 doc/man/cifparse.1 doc/man/cifvalues.1 doc/man/cif_list_tags.1 rm -f version.h rm -f src/lib/perl5/COD/ToolsVersion.pm scripts/cod-tools-version rm -f scripts/.cod-tools-version.d rm -rf tests/coverage rm -f /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib.pm 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scripts/.fetch_cif_dict.d scripts/.find_numbers.d scripts/.formula_sum.d scripts/.json2cif.d scripts/.molcif2sdf.d scripts/.msg_parse.d scripts/.oqmd2cif.d scripts/.sdf_add_cod_data.d scripts/.ssg3d.d scripts/.ssg_symop_canonical.d scripts/.ssg_symop_check.d scripts/.ssg_symop_matrices.d scripts/.ssg_symop_string.d scripts/.symop_build_spacegroup.d scripts/.utf8-to-cif.d rm -f .diff.depend .script.depend rm -rf tmp-* for DIR in src/ ; do \ make -C $DIR distclean; \ done make[2]: Entering directory '/build/cod-tools-2.3+dfsg/src' make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' rm -f *~ rm -f obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o rm -f obj/subsystem_a.o obj/subsystem_b.o rm -f lib/libcexceptions.a lib/libcexceptions.so.0.01 bin/texceptions bin/fopenx bin/tfinaly bin/tsubsystems bin/tstrdupx bin/tcreallocx rm -f .cxprintf.d .stringx.d .allocx.d 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./tests/shoutputs/build_cif_001.diff ./tests/shoutputs/tag_index_002.diff ./tests/shoutputs/build_cif_002.diff ./tests/shoutputs/build_cif_003.diff ./tests/shoutputs/tag_index_001.diff rm -f pycodcif_wrap.c rm -rf build pycodcif.egg-info rm -f *.pyc rm -f setup.py pycodcif.py _pycodcif.so rm -rf sdist make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components' make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[6]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' rm -f source_wrap.c source.o source_wrap.o *~ *.o rm -f lib/auto/COD/SPGLib/SPGLib.so lib/COD/SPGLib.pm make[6]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' make[6]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' rm -f tests/outputs/formula_parser_test_002.diff tests/outputs/formula_parser_test_003.diff tests/outputs/formula_parser_test_001.diff tests/outputs/formula_parser_test_004.diff rm -f rm -f lib/COD/Formulae/Parser/AdHoc.pm *.output make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' rm -f tests/outputs/formula_parser_test_002.diff tests/outputs/formula_parser_test_003.diff tests/outputs/formula_parser_test_001.diff tests/outputs/formula_parser_test_004.diff rm -f rm -f lib/COD/Formulae/Parser/IUCr.pm *.output make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' make[7]: 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tests/outputs/cif_parser_test_119.diff tests/outputs/cif_parser_test_103.diff tests/outputs/cif_parser_test_104.diff tests/outputs/cif_parser_test_001.diff tests/outputs/cif_parser_test_006.diff tests/outputs/cif_parser_test_089.diff rm -f ./tests/shoutputs/unicode_001.diff ./tests/shoutputs/multiline_text_field_001.diff ./tests/shoutputs/multiline_text_field_003.diff ./tests/shoutputs/unicode_003.diff ./tests/shoutputs/unicode_002.diff ./tests/shoutputs/multiline_text_field_002.diff ./tests/shoutputs/precisions_004.diff ./tests/shoutputs/precisions_001.diff ./tests/shoutputs/unicode_004.diff ./tests/shoutputs/multiline_text_field_004.diff ./tests/shoutputs/precisions_003.diff ./tests/shoutputs/unicode_005.diff ./tests/shoutputs/precisions_002.diff rm -f source_wrap.c source.o source_wrap.o *~ *.o rm -f lib/auto/COD/CIF/Parser/Bison/Bison.so lib/COD/CIF/Parser/Bison.pm make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser' make[6]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF' make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib' make[2]: Leaving directory '/build/cod-tools-2.3+dfsg/src' make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_autoreconf_clean -O--no-parallel debian/rules override_dh_clean make[1]: Entering directory '/build/cod-tools-2.3+dfsg' dh_clean for TPL in debian/templates/*; \ do rm -f debian/$(basename ${TPL}); \ done rm -rf .pybuild make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' debian/rules build dh build --with python2,python3 --no-parallel dh_update_autotools_config -O--no-parallel dh_autoreconf -O--no-parallel dh_auto_configure -O--no-parallel debian/rules override_dh_auto_build make[1]: Entering directory '/build/cod-tools-2.3+dfsg' dh_auto_build make -j1 "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/cod-tools-2.3+dfsg' tools/mkperldepend scripts/cif-to-utf8 > scripts/.cif-to-utf8.d tools/mkperldepend scripts/cif2cod > scripts/.cif2cod.d tools/mkperldepend scripts/cif2csv > scripts/.cif2csv.d tools/mkperldepend scripts/cif2json > scripts/.cif2json.d tools/mkperldepend scripts/cif2rdf > scripts/.cif2rdf.d tools/mkperldepend scripts/cif2ref > scripts/.cif2ref.d tools/mkperldepend scripts/cif2xyz > scripts/.cif2xyz.d tools/mkperldepend scripts/cif_CODify > scripts/.cif_CODify.d tools/mkperldepend scripts/cif_Fcalc > scripts/.cif_Fcalc.d tools/mkperldepend scripts/cif_adjust_journal_name_volume > scripts/.cif_adjust_journal_name_volume.d tools/mkperldepend scripts/cif_bounding_box > scripts/.cif_bounding_box.d tools/mkperldepend scripts/cif_cell_contents > scripts/.cif_cell_contents.d tools/mkperldepend scripts/cif_classify > scripts/.cif_classify.d tools/mkperldepend scripts/cif_cod_check > scripts/.cif_cod_check.d tools/mkperldepend scripts/cif_cod_deposit > scripts/.cif_cod_deposit.d tools/mkperldepend scripts/cif_cod_numbers > scripts/.cif_cod_numbers.d tools/mkperldepend scripts/cif_correct_tags > scripts/.cif_correct_tags.d tools/mkperldepend scripts/cif_create_AMCSD_pressure_temp_tags > scripts/.cif_create_AMCSD_pressure_temp_tags.d tools/mkperldepend scripts/cif_dictionary_tags > scripts/.cif_dictionary_tags.d tools/mkperldepend scripts/cif_diff > scripts/.cif_diff.d tools/mkperldepend scripts/cif_distances > scripts/.cif_distances.d tools/mkperldepend scripts/cif_estimate_Z > scripts/.cif_estimate_Z.d tools/mkperldepend scripts/cif_eval_numbers > scripts/.cif_eval_numbers.d tools/mkperldepend scripts/cif_fillcell > scripts/.cif_fillcell.d tools/mkperldepend scripts/cif_filter > scripts/.cif_filter.d tools/mkperldepend scripts/cif_find_duplicates > scripts/.cif_find_duplicates.d tools/mkperldepend scripts/cif_find_symmetry > scripts/.cif_find_symmetry.d tools/mkperldepend scripts/cif_fix_values > scripts/.cif_fix_values.d tools/mkperldepend scripts/cif_hkl_COD_number > scripts/.cif_hkl_COD_number.d tools/mkperldepend scripts/cif_hkl_check > scripts/.cif_hkl_check.d tools/mkperldepend scripts/cif_mark_disorder > scripts/.cif_mark_disorder.d tools/mkperldepend scripts/cif_merge > scripts/.cif_merge.d tools/mkperldepend scripts/cif_molecule > scripts/.cif_molecule.d tools/mkperldepend scripts/cif_mpod_v1_to_v2 > scripts/.cif_mpod_v1_to_v2.d tools/mkperldepend scripts/cif_mpod_v1_to_v3 > scripts/.cif_mpod_v1_to_v3.d tools/mkperldepend scripts/cif_mpod_v2_to_v1 > scripts/.cif_mpod_v2_to_v1.d tools/mkperldepend scripts/cif_mpod_v3_to_v1 > scripts/.cif_mpod_v3_to_v1.d tools/mkperldepend scripts/cif_overlay > scripts/.cif_overlay.d tools/mkperldepend scripts/cif_p1 > scripts/.cif_p1.d tools/mkperldepend scripts/cif_parse > scripts/.cif_parse.d tools/mkperldepend scripts/cif_parse_old_star > scripts/.cif_parse_old_star.d tools/mkperldepend scripts/cif_printout > scripts/.cif_printout.d tools/mkperldepend scripts/cif_reduce_Niggli > scripts/.cif_reduce_Niggli.d tools/mkperldepend scripts/cif_reduce_cell > scripts/.cif_reduce_cell.d tools/mkperldepend scripts/cif_reformat_AMCSD_author_names > scripts/.cif_reformat_AMCSD_author_names.d tools/mkperldepend scripts/cif_reformat_pubmed_author_names > scripts/.cif_reformat_pubmed_author_names.d tools/mkperldepend scripts/cif_reformat_uppercase_author_names > scripts/.cif_reformat_uppercase_author_names.d tools/mkperldepend scripts/cif_select > scripts/.cif_select.d tools/mkperldepend scripts/cif_set_value > scripts/.cif_set_value.d tools/mkperldepend scripts/cif_sort_atoms > scripts/.cif_sort_atoms.d tools/mkperldepend scripts/cif_split > scripts/.cif_split.d tools/mkperldepend scripts/cif_split_primitive > scripts/.cif_split_primitive.d tools/mkperldepend scripts/cif_symop_apply > scripts/.cif_symop_apply.d tools/mkperldepend scripts/cif_tags_in_list > scripts/.cif_tags_in_list.d tools/mkperldepend scripts/cif_tcod_tree > scripts/.cif_tcod_tree.d tools/mkperldepend scripts/cif_validate > scripts/.cif_validate.d tools/mkperldepend scripts/cif_values > scripts/.cif_values.d sed 's/@VERSION@/2.3/' scripts/cod-tools-version.in > scripts/cod-tools-version chmod 755 scripts/cod-tools-version tools/mkperldepend scripts/cod-tools-version > scripts/.cod-tools-version.d tools/mkperldepend scripts/cod2rdf > scripts/.cod2rdf.d tools/mkperldepend scripts/cod_fetch > scripts/.cod_fetch.d tools/mkperldepend scripts/cod_manage_related > scripts/.cod_manage_related.d tools/mkperldepend scripts/cod_predeposition_check > scripts/.cod_predeposition_check.d tools/mkperldepend scripts/codcif2sdf > scripts/.codcif2sdf.d tools/mkperldepend scripts/dic2markdown > scripts/.dic2markdown.d tools/mkperldepend scripts/fetch_cif_dict > scripts/.fetch_cif_dict.d tools/mkperldepend scripts/find_numbers > scripts/.find_numbers.d tools/mkperldepend scripts/formula_sum > scripts/.formula_sum.d tools/mkperldepend scripts/json2cif > scripts/.json2cif.d tools/mkperldepend scripts/molcif2sdf > scripts/.molcif2sdf.d tools/mkperldepend scripts/msg_parse > scripts/.msg_parse.d tools/mkperldepend scripts/oqmd2cif > scripts/.oqmd2cif.d tools/mkperldepend scripts/sdf_add_cod_data > scripts/.sdf_add_cod_data.d tools/mkperldepend scripts/ssg3d > scripts/.ssg3d.d tools/mkperldepend scripts/ssg_symop_canonical > scripts/.ssg_symop_canonical.d tools/mkperldepend scripts/ssg_symop_check > scripts/.ssg_symop_check.d tools/mkperldepend scripts/ssg_symop_matrices > scripts/.ssg_symop_matrices.d tools/mkperldepend scripts/ssg_symop_string > scripts/.ssg_symop_string.d tools/mkperldepend scripts/symop_build_spacegroup > scripts/.symop_build_spacegroup.d tools/mkperldepend scripts/utf8-to-cif > scripts/.utf8-to-cif.d make -C /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' yapp -v -m COD::Formulae::Parser::AdHoc -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/Formulae/Parser/AdHoc.pm tests/cases/formula_parser_test_002.inp: OK tests/cases/formula_parser_test_003.inp: OK tests/cases/formula_parser_test_001.inp: OK tests/cases/formula_parser_test_004.inp: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc//lib/COD/Formulae/Parser/AdHoc.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc.pm make -C /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' yapp -v -m COD::Formulae::Parser::IUCr -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/Formulae/Parser/IUCr.pm tests/cases/formula_parser_test_002.inp: OK tests/cases/formula_parser_test_003.inp: OK tests/cases/formula_parser_test_001.inp: OK tests/cases/formula_parser_test_004.inp: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr//lib/COD/Formulae/Parser/IUCr.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr.pm make -C /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' yapp -v -m COD::CIF::Parser::Yapp -o - grammar.yp | sed 's/@VERSION@/2.3/' > lib/COD/CIF/Parser/Yapp.pm tests/cases/cif_parser_test_032.inp: OK tests/cases/cif_parser_test_099.inp: OK tests/cases/cif_parser_test_037.inp: OK tests/cases/cif_parser_test_083.inp: OK tests/cases/cif_parser_test_036.inp: OK tests/cases/cif_parser_test_031.inp: OK tests/cases/cif_parser_test_110.inp: OK tests/cases/cif_parser_test_101.inp: OK tests/cases/cif_parser_test_026.inp: OK tests/cases/cif_parser_test_007.inp: OK tests/cases/cif_parser_test_025.inp: OK tests/cases/cif_parser_test_013.inp: OK tests/cases/cif_parser_test_080.inp: OK tests/cases/cif_parser_test_092.inp: OK tests/cases/cif_parser_test_115.inp: OK tests/cases/cif_parser_test_017.inp: OK tests/cases/cif_parser_test_116.inp: OK tests/cases/cif_parser_test_015.inp: OK tests/cases/cif_parser_test_018.inp: OK tests/cases/cif_parser_test_072.inp: OK tests/cases/cif_parser_test_062.inp: OK tests/cases/cif_parser_test_052.inp: OK tests/cases/cif_parser_test_020.inp: OK tests/cases/cif_parser_test_114.inp: OK tests/cases/cif_parser_test_042.inp: OK tests/cases/cif_parser_test_107.inp: OK tests/cases/cif_parser_test_054.inp: OK tests/cases/cif_parser_test_003.inp: OK tests/cases/cif_parser_test_093.inp: OK tests/cases/cif_parser_test_011.inp: OK tests/cases/cif_parser_test_118.inp: OK tests/cases/cif_parser_test_100.inp: OK tests/cases/cif_parser_test_087.inp: OK tests/cases/cif_parser_test_073.inp: OK tests/cases/cif_parser_test_012.inp: OK tests/cases/cif_parser_test_030.inp: OK tests/cases/cif_parser_test_034.inp: OK tests/cases/cif_parser_test_057.inp: OK tests/cases/cif_parser_test_009.inp: OK tests/cases/cif_parser_test_004.inp: OK tests/cases/cif_parser_test_055.inp: OK tests/cases/cif_parser_test_053.inp: OK tests/cases/cif_parser_test_028.inp: OK tests/cases/cif_parser_test_016.inp: OK tests/cases/cif_parser_test_086.inp: OK tests/cases/cif_parser_test_056.inp: OK tests/cases/cif_parser_test_079.inp: OK tests/cases/cif_parser_test_069.inp: OK tests/cases/cif_parser_test_077.inp: OK tests/cases/cif_parser_test_059.inp: OK tests/cases/cif_parser_test_049.inp: OK tests/cases/cif_parser_test_039.inp: OK tests/cases/cif_parser_test_010.inp: OK tests/cases/cif_parser_test_109.inp: OK tests/cases/cif_parser_test_106.inp: OK tests/cases/cif_parser_test_014.inp: OK tests/cases/cif_parser_test_058.inp: OK tests/cases/cif_parser_test_022.inp: OK tests/cases/cif_parser_test_098.inp: OK tests/cases/cif_parser_test_112.inp: OK tests/cases/cif_parser_test_045.inp: OK tests/cases/cif_parser_test_008.inp: OK tests/cases/cif_parser_test_024.inp: OK tests/cases/cif_parser_test_065.inp: OK tests/cases/cif_parser_test_091.inp: OK tests/cases/cif_parser_test_081.inp: OK tests/cases/cif_parser_test_066.inp: OK tests/cases/cif_parser_test_071.inp: OK tests/cases/cif_parser_test_096.inp: OK tests/cases/cif_parser_test_061.inp: OK tests/cases/cif_parser_test_047.inp: OK tests/cases/cif_parser_test_051.inp: OK tests/cases/cif_parser_test_041.inp: OK tests/cases/cif_parser_test_064.inp: OK tests/cases/cif_parser_test_085.inp: OK tests/cases/cif_parser_test_067.inp: OK tests/cases/cif_parser_test_082.inp: OK tests/cases/cif_parser_test_088.inp: OK tests/cases/cif_parser_test_019.inp: OK tests/cases/cif_parser_test_102.inp: OK tests/cases/cif_parser_test_105.inp: OK tests/cases/cif_parser_test_094.inp: OK tests/cases/cif_parser_test_005.inp: OK tests/cases/cif_parser_test_023.inp: OK tests/cases/cif_parser_test_068.inp: OK tests/cases/cif_parser_test_113.inp: OK tests/cases/cif_parser_test_048.inp: OK tests/cases/cif_parser_test_117.inp: OK tests/cases/cif_parser_test_044.inp: OK tests/cases/cif_parser_test_108.inp: OK tests/cases/cif_parser_test_043.inp: OK tests/cases/cif_parser_test_075.inp: OK tests/cases/cif_parser_test_090.inp: OK tests/cases/cif_parser_test_070.inp: OK tests/cases/cif_parser_test_060.inp: OK tests/cases/cif_parser_test_050.inp: OK tests/cases/cif_parser_test_040.inp: OK tests/cases/cif_parser_test_027.inp: OK tests/cases/cif_parser_test_074.inp: OK tests/cases/cif_parser_test_097.inp: OK tests/cases/cif_parser_test_063.inp: OK tests/cases/cif_parser_test_046.inp: OK tests/cases/cif_parser_test_002.inp: OK tests/cases/cif_parser_test_078.inp: OK tests/cases/cif_parser_test_021.inp: OK tests/cases/cif_parser_test_111.inp: OK tests/cases/cif_parser_test_038.inp: OK tests/cases/cif_parser_test_095.inp: OK tests/cases/cif_parser_test_084.inp: OK tests/cases/cif_parser_test_076.inp: OK tests/cases/cif_parser_test_035.inp: OK tests/cases/cif_parser_test_033.inp: OK tests/cases/cif_parser_test_029.inp: OK tests/cases/cif_parser_test_119.inp: OK tests/cases/cif_parser_test_103.inp: OK tests/cases/cif_parser_test_104.inp: OK tests/cases/cif_parser_test_001.inp: OK tests/cases/cif_parser_test_006.inp: OK tests/cases/cif_parser_test_089.inp: OK missing_closing_sq_string: OK multiline_text_field_001: OK loop_misparsing: OK text_field_001: OK empty_02: OK global_errors: OK unquoted_string_with_brackets: OK missing_closing_dq_string: OK multiline_text_field_002: OK unquoted_string_wo_brackets: OK simple: OK err_no_data_03: OK multiline_text_field_003: OK error_messages: OK loop_001: OK save_block: OK local_tags: OK err_no_data_01: OK standard_uncertainty_handling: OK multiline_text_field_004: OK float_mis-increase_lexer: OK unquoted_string: OK file_not_defined: OK empty_01: OK err_no_data_02: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp//lib/COD/CIF/Parser/Yapp.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp.pm make -C /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' swig -perl5 -Wall -outdir lib/COD/CIF/Parser/ source.i cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -Wno-unused-value -D_REENTRANT -D_GNU_SOURCE -DDEBIAN -fwrapv -fno-strict-aliasing -pipe -I/usr/local/include -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -O2 -g -fPIC -I/usr/lib/i386-linux-gnu/perl/5.28/CORE -I. -I../../../../../../components/codcif -I../../../../../../externals/cexceptions -c source.c source_wrap.c make -C ../../../../../../components/codcif/ \ lib/libcodcif.a make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/codcif' gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ programs/cif_list_tags.c | sed -e 's,^cif_list_tags.o:,./obj/programs/cif_list_tags.o:,' > programs/.cif_list_tags.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ programs/cifvalues.c | sed -e 's,^cifvalues.o:,./obj/programs/cifvalues.o:,' > programs/.cifvalues.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ programs/cifparse.c | sed -e 's,^cifparse.o:,./obj/programs/cifparse.o:,' > programs/.cifparse.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ ciflist.c | sed -e 's,^ciflist.o:,./obj/ciflist.o:,' > .ciflist.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif_compiler.c | sed -e 's,^cif_compiler.o:,./obj/cif_compiler.o:,' > .cif_compiler.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ datablock.c | sed -e 's,^datablock.o:,./obj/datablock.o:,' > .datablock.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif.c | sed -e 's,^cif.o:,./obj/cif.o:,' > .cif.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cifvalue.c | sed -e 's,^cifvalue.o:,./obj/cifvalue.o:,' > .cifvalue.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif_lexer.c | sed -e 's,^cif_lexer.o:,./obj/cif_lexer.o:,' > .cif_lexer.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif_grammar_flex.c | sed -e 's,^cif_grammar_flex.o:,./obj/cif_grammar_flex.o:,' > .cif_grammar_flex.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cifmessage.c | sed -e 's,^cifmessage.o:,./obj/cifmessage.o:,' > .cifmessage.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif2_lexer.c | sed -e 's,^cif2_lexer.o:,./obj/cif2_lexer.o:,' > .cif2_lexer.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ common.c | sed -e 's,^common.o:,./obj/common.o:,' > .common.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ ciftable.c | sed -e 's,^ciftable.o:,./obj/ciftable.o:,' > .ciftable.d gcc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -M -MG \ cif_options.c | sed -e 's,^cif_options.o:,./obj/cif_options.o:,' > .cif_options.d gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif_options.c -o obj/cif_options.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c common.c -o obj/common.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c ciftable.c -o obj/ciftable.o bison -y -v -d -p cif2 --file-prefix cif2_grammar cif2_grammar.y cif2_grammar.y:36.1-5: warning: POSIX Yacc does not support %code [-Wyacc] %code requires { ^~~~~ gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif2_lexer.c -o obj/cif2_lexer.o cif2_lexer.c: In function 'pushchar': cif2_lexer.c:599:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cifmessage.c -o obj/cifmessage.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif_grammar_flex.c -o obj/cif_grammar_flex.o bison -y -v -d -p cif --file-prefix cif_grammar cif_grammar.y cif_grammar.y:35.1-5: warning: POSIX Yacc does not support %code [-Wyacc] %code requires { ^~~~~ gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif_lexer.c -o obj/cif_lexer.o cif_lexer.c: In function 'pushchar': cif_lexer.c:506:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cifvalue.c -o obj/cifvalue.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif.c -o obj/cif.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c datablock.c -o obj/datablock.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif_compiler.c -o obj/cif_compiler.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c ciflist.c -o obj/ciflist.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif2_grammar.tab.c -o obj/cif2_grammar.tab.o gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -c cif_grammar.tab.c -o obj/cif_grammar.tab.o ar cr lib/libcodcif.a obj/cif_options.o obj/common.o obj/ciftable.o obj/cif2_lexer.o obj/cifmessage.o obj/cif_grammar_flex.o obj/cif_lexer.o obj/cifvalue.o obj/cif.o obj/datablock.o obj/cif_compiler.o obj/ciflist.o obj/cif2_grammar.tab.o obj/cif_grammar.tab.o make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/codcif' make -C ../../../../../../externals/cexceptions/ \ lib/libcexceptions.a make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/subsystem_b.c > tests/.subsystem_b.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/subsystem_a.c > tests/.subsystem_a.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tcreallocx.c > tests/programs/.tcreallocx.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tstrdupx.c > tests/programs/.tstrdupx.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tsubsystems.c > tests/programs/.tsubsystems.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/tfinaly.c > tests/programs/.tfinaly.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/fopenx.c > tests/programs/.fopenx.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG tests/programs/texceptions.c > tests/programs/.texceptions.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG cexceptions.c > .cexceptions.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG stdiox.c > .stdiox.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG allocx.c > .allocx.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG stringx.c > .stringx.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -M -MG cxprintf.c > .cxprintf.d cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c cxprintf.c -o obj/cxprintf.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stringx.c -o obj/stringx.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c allocx.c -o obj/allocx.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c stdiox.c -o obj/stdiox.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c cexceptions.c -o obj/cexceptions.o ar cr lib/libcexceptions.a obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -shared -L/usr/local/lib -fstack-protector-strong -Wl,-z,relro -Wl,-z,now source.o source_wrap.o ../../../../../../components/codcif/lib/libcodcif.a ../../../../../../externals/cexceptions/lib/libcexceptions.a -o lib/auto/COD/CIF/Parser/Bison/Bison.so tests/cases/cif_parser_test_032.inp: OK tests/cases/cif_parser_test_099.inp: OK tests/cases/cif_parser_test_037.inp: OK tests/cases/cif_parser_test_083.inp: OK tests/cases/cif_parser_test_036.inp: OK tests/cases/cif_parser_test_031.inp: OK tests/cases/cif_parser_test_110.inp: OK tests/cases/cif_parser_test_101.inp: OK tests/cases/cif_parser_test_026.inp: OK tests/cases/cif_parser_test_007.inp: OK tests/cases/cif_parser_test_025.inp: OK tests/cases/cif_parser_test_013.inp: OK tests/cases/cif_parser_test_080.inp: OK tests/cases/cif_parser_test_092.inp: OK tests/cases/cif_parser_test_115.inp: OK tests/cases/cif_parser_test_017.inp: OK tests/cases/cif_parser_test_116.inp: OK tests/cases/cif_parser_test_015.inp: OK tests/cases/cif_parser_test_018.inp: OK tests/cases/cif_parser_test_072.inp: OK tests/cases/cif_parser_test_062.inp: OK tests/cases/cif_parser_test_052.inp: OK tests/cases/cif_parser_test_020.inp: OK tests/cases/cif_parser_test_114.inp: OK tests/cases/cif_parser_test_042.inp: OK tests/cases/cif_parser_test_107.inp: OK tests/cases/cif_parser_test_054.inp: OK tests/cases/cif_parser_test_003.inp: OK tests/cases/cif_parser_test_093.inp: OK tests/cases/cif_parser_test_011.inp: OK tests/cases/cif_parser_test_118.inp: OK tests/cases/cif_parser_test_100.inp: OK tests/cases/cif_parser_test_087.inp: OK tests/cases/cif_parser_test_073.inp: OK tests/cases/cif_parser_test_012.inp: OK tests/cases/cif_parser_test_030.inp: OK tests/cases/cif_parser_test_034.inp: OK tests/cases/cif_parser_test_057.inp: OK tests/cases/cif_parser_test_009.inp: OK tests/cases/cif_parser_test_004.inp: OK tests/cases/cif_parser_test_055.inp: OK tests/cases/cif_parser_test_053.inp: OK tests/cases/cif_parser_test_028.inp: OK tests/cases/cif_parser_test_016.inp: OK tests/cases/cif_parser_test_086.inp: OK tests/cases/cif_parser_test_056.inp: OK tests/cases/cif_parser_test_079.inp: OK tests/cases/cif_parser_test_069.inp: OK tests/cases/cif_parser_test_077.inp: OK tests/cases/cif_parser_test_059.inp: OK tests/cases/cif_parser_test_049.inp: OK tests/cases/cif_parser_test_039.inp: OK tests/cases/cif_parser_test_010.inp: OK tests/cases/cif_parser_test_109.inp: OK tests/cases/cif_parser_test_106.inp: OK tests/cases/cif_parser_test_014.inp: OK tests/cases/cif_parser_test_058.inp: OK tests/cases/cif_parser_test_022.inp: OK tests/cases/cif_parser_test_098.inp: OK tests/cases/cif_parser_test_112.inp: OK tests/cases/cif_parser_test_045.inp: OK tests/cases/cif_parser_test_008.inp: OK tests/cases/cif_parser_test_024.inp: OK tests/cases/cif_parser_test_065.inp: OK tests/cases/cif_parser_test_091.inp: OK tests/cases/cif_parser_test_081.inp: OK tests/cases/cif_parser_test_066.inp: OK tests/cases/cif_parser_test_071.inp: OK tests/cases/cif_parser_test_096.inp: OK tests/cases/cif_parser_test_061.inp: OK tests/cases/cif_parser_test_047.inp: OK tests/cases/cif_parser_test_051.inp: OK tests/cases/cif_parser_test_041.inp: OK tests/cases/cif_parser_test_064.inp: OK tests/cases/cif_parser_test_085.inp: OK tests/cases/cif_parser_test_067.inp: OK tests/cases/cif_parser_test_082.inp: OK tests/cases/cif_parser_test_088.inp: OK tests/cases/cif_parser_test_019.inp: OK tests/cases/cif_parser_test_102.inp: OK tests/cases/cif_parser_test_105.inp: OK tests/cases/cif_parser_test_094.inp: OK tests/cases/cif_parser_test_005.inp: OK tests/cases/cif_parser_test_023.inp: OK tests/cases/cif_parser_test_068.inp: OK tests/cases/cif_parser_test_113.inp: OK tests/cases/cif_parser_test_048.inp: OK tests/cases/cif_parser_test_117.inp: OK tests/cases/cif_parser_test_044.inp: OK tests/cases/cif_parser_test_108.inp: OK tests/cases/cif_parser_test_043.inp: OK tests/cases/cif_parser_test_075.inp: OK tests/cases/cif_parser_test_090.inp: OK tests/cases/cif_parser_test_070.inp: OK tests/cases/cif_parser_test_060.inp: OK tests/cases/cif_parser_test_050.inp: OK tests/cases/cif_parser_test_040.inp: OK tests/cases/cif_parser_test_027.inp: OK tests/cases/cif_parser_test_074.inp: OK tests/cases/cif_parser_test_097.inp: OK tests/cases/cif_parser_test_063.inp: OK tests/cases/cif_parser_test_046.inp: OK tests/cases/cif_parser_test_002.inp: OK tests/cases/cif_parser_test_078.inp: OK tests/cases/cif_parser_test_021.inp: OK tests/cases/cif_parser_test_111.inp: OK tests/cases/cif_parser_test_038.inp: OK tests/cases/cif_parser_test_095.inp: OK tests/cases/cif_parser_test_084.inp: OK tests/cases/cif_parser_test_076.inp: OK tests/cases/cif_parser_test_035.inp: OK tests/cases/cif_parser_test_033.inp: OK tests/cases/cif_parser_test_029.inp: OK tests/cases/cif_parser_test_119.inp: OK tests/cases/cif_parser_test_103.inp: OK tests/cases/cif_parser_test_104.inp: OK tests/cases/cif_parser_test_001.inp: OK tests/cases/cif_parser_test_006.inp: OK tests/cases/cif_parser_test_089.inp: OK unicode_001: OK multiline_text_field_001: OK multiline_text_field_003: OK unicode_003: OK unicode_002: OK multiline_text_field_002: OK precisions_004: OK precisions_001: OK unicode_004: OK multiline_text_field_004: OK precisions_003: OK unicode_005: OK precisions_002: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison/lib/COD/CIF/Parser/Bison.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison.pm cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison//lib/auto/COD/CIF/Parser/Bison/Bison.so /build/cod-tools-2.3+dfsg/src/lib/perl5/auto/COD/CIF/Parser/Bison/Bison.so make -C /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' swig -perl5 -Wall -outdir lib/COD/ source.i cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -Wno-unused-value \ -I. -c \ `perl -MConfig -e 'print join(" ", @Config{qw(ccflags optimize cccdlflags)}, "-I$Config{archlib}/CORE")'` \ source.c source_wrap.c cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall `perl -MConfig -e 'print $Config{lddlflags}'` -Wl,-z,relro -Wl,-z,now source.o source_wrap.o -o lib/auto/COD/SPGLib/SPGLib.so -lsymspg make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib/lib/COD/SPGLib.pm /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib.pm cp /build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib//lib/auto/COD/SPGLib/SPGLib.so /build/cod-tools-2.3+dfsg/src/lib/perl5/auto/COD/SPGLib/SPGLib.so make -C /build/cod-tools-2.3+dfsg/src/components/pycodcif all make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' sed 's/@@VERSION@@/'2.3'/' < setup.pyin > setup.py python setup.py build --build-lib build/python2.7/ running build running build_py running build_ext building 'pycodcif._pycodcif' extension swigging pycodcif.i to pycodcif_wrap.c swig -python -o pycodcif_wrap.c pycodcif.i creating build creating build/temp.linux-i686-2.7 creating build/temp.linux-i686-2.7/src creating build/temp.linux-i686-2.7/src/externals creating build/temp.linux-i686-2.7/src/externals/cexceptions creating build/temp.linux-i686-2.7/src/components creating build/temp.linux-i686-2.7/src/components/codcif i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/cxprintf.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/stringx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/allocx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/stdiox.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/cexceptions.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_options.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-i686-2.7/src/components/codcif/common.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-i686-2.7/src/components/codcif/ciftable.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-i686-2.7/src/components/codcif/cif2_lexer.o src/components/codcif/cif2_lexer.c: In function 'pushchar': src/components/codcif/cif2_lexer.c:599:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-i686-2.7/src/components/codcif/cifvalue.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-i686-2.7/src/components/codcif/cifmessage.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar_flex.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_lexer.o src/components/codcif/cif_lexer.c: In function 'pushchar': src/components/codcif/cif_lexer.c:506:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-i686-2.7/src/components/codcif/cif.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-i686-2.7/src/components/codcif/datablock.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_compiler.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-i686-2.7/src/components/codcif/ciflist.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-i686-2.7/src/components/codcif/cif2_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-i686-2.7/pycodcif_wrap.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-i686-2.7/pycodcif.o creating build/python2.7 creating build/python2.7/pycodcif i686-linux-gnu-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-EBAgX8/python2.7-2.7.16=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-i686-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-i686-2.7/src/externals/cexceptions/stringx.o build/temp.linux-i686-2.7/src/externals/cexceptions/allocx.o build/temp.linux-i686-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-i686-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-i686-2.7/src/components/codcif/cif_options.o build/temp.linux-i686-2.7/src/components/codcif/common.o build/temp.linux-i686-2.7/src/components/codcif/ciftable.o build/temp.linux-i686-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-i686-2.7/src/components/codcif/cifvalue.o build/temp.linux-i686-2.7/src/components/codcif/cifmessage.o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-i686-2.7/src/components/codcif/cif_lexer.o build/temp.linux-i686-2.7/src/components/codcif/cif.o build/temp.linux-i686-2.7/src/components/codcif/datablock.o build/temp.linux-i686-2.7/src/components/codcif/cif_compiler.o build/temp.linux-i686-2.7/src/components/codcif/ciflist.o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-i686-2.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-i686-2.7/pycodcif_wrap.o build/temp.linux-i686-2.7/pycodcif.o -o build/python2.7/pycodcif/_pycodcif.so copying ./pycodcif.py -> build/python2.7/pycodcif copying ./__init__.py -> build/python2.7/pycodcif tests/cases/cif_parser_test_032.inp: OK tests/cases/cif_parser_test_099.inp: OK tests/cases/cif_parser_test_037.inp: OK tests/cases/cif_parser_test_083.inp: OK tests/cases/cif_parser_test_036.inp: OK tests/cases/cif_parser_test_031.inp: OK tests/cases/cif_parser_test_110.inp: OK tests/cases/cif_parser_test_101.inp: OK tests/cases/cif_parser_test_026.inp: OK tests/cases/cif_parser_test_007.inp: OK tests/cases/cif_parser_test_025.inp: OK tests/cases/cif_parser_test_013.inp: OK tests/cases/cif_parser_test_080.inp: OK tests/cases/cif_parser_test_092.inp: OK tests/cases/cif_parser_test_115.inp: OK tests/cases/cif_parser_test_017.inp: OK tests/cases/cif_parser_test_116.inp: OK tests/cases/cif_parser_test_015.inp: OK tests/cases/cif_parser_test_018.inp: OK tests/cases/cif_parser_test_072.inp: OK tests/cases/cif_parser_test_062.inp: OK tests/cases/cif_parser_test_052.inp: OK tests/cases/cif_parser_test_020.inp: OK tests/cases/cif_parser_test_114.inp: OK tests/cases/cif_parser_test_042.inp: OK tests/cases/cif_parser_test_107.inp: OK tests/cases/cif_parser_test_054.inp: OK tests/cases/cif_parser_test_003.inp: OK tests/cases/cif_parser_test_093.inp: OK tests/cases/cif_parser_test_011.inp: OK tests/cases/cif_parser_test_118.inp: OK tests/cases/cif_parser_test_100.inp: OK tests/cases/cif_parser_test_087.inp: OK tests/cases/cif_parser_test_073.inp: OK tests/cases/cif_parser_test_012.inp: OK tests/cases/cif_parser_test_030.inp: OK tests/cases/cif_parser_test_034.inp: OK tests/cases/cif_parser_test_057.inp: OK tests/cases/cif_parser_test_009.inp: OK tests/cases/cif_parser_test_004.inp: OK tests/cases/cif_parser_test_055.inp: OK tests/cases/cif_parser_test_053.inp: OK tests/cases/cif_parser_test_028.inp: OK tests/cases/cif_parser_test_016.inp: OK tests/cases/cif_parser_test_086.inp: OK tests/cases/cif_parser_test_056.inp: OK tests/cases/cif_parser_test_079.inp: OK tests/cases/cif_parser_test_069.inp: OK tests/cases/cif_parser_test_077.inp: OK tests/cases/cif_parser_test_059.inp: OK tests/cases/cif_parser_test_049.inp: OK tests/cases/cif_parser_test_039.inp: OK tests/cases/cif_parser_test_010.inp: OK tests/cases/cif_parser_test_109.inp: OK tests/cases/cif_parser_test_106.inp: OK tests/cases/cif_parser_test_014.inp: OK tests/cases/cif_parser_test_058.inp: OK tests/cases/cif_parser_test_022.inp: OK tests/cases/cif_parser_test_098.inp: OK tests/cases/cif_parser_test_112.inp: OK tests/cases/cif_parser_test_045.inp: OK tests/cases/cif_parser_test_008.inp: OK tests/cases/cif_parser_test_024.inp: OK tests/cases/cif_parser_test_065.inp: OK tests/cases/cif_parser_test_091.inp: OK tests/cases/cif_parser_test_081.inp: OK tests/cases/cif_parser_test_066.inp: OK tests/cases/cif_parser_test_071.inp: OK tests/cases/cif_parser_test_096.inp: OK tests/cases/cif_parser_test_061.inp: OK tests/cases/cif_parser_test_047.inp: OK tests/cases/cif_parser_test_051.inp: OK tests/cases/cif_parser_test_041.inp: OK tests/cases/cif_parser_test_064.inp: OK tests/cases/cif_parser_test_085.inp: OK tests/cases/cif_parser_test_067.inp: OK tests/cases/cif_parser_test_082.inp: OK tests/cases/cif_parser_test_088.inp: OK tests/cases/cif_parser_test_019.inp: OK tests/cases/cif_parser_test_102.inp: OK tests/cases/cif_parser_test_105.inp: OK tests/cases/cif_parser_test_094.inp: OK tests/cases/cif_parser_test_005.inp: OK tests/cases/cif_parser_test_023.inp: OK tests/cases/cif_parser_test_068.inp: OK tests/cases/cif_parser_test_113.inp: OK tests/cases/cif_parser_test_048.inp: OK tests/cases/cif_parser_test_117.inp: OK tests/cases/cif_parser_test_044.inp: OK tests/cases/cif_parser_test_108.inp: OK tests/cases/cif_parser_test_043.inp: OK tests/cases/cif_parser_test_075.inp: OK tests/cases/cif_parser_test_090.inp: OK tests/cases/cif_parser_test_070.inp: OK tests/cases/cif_parser_test_060.inp: OK tests/cases/cif_parser_test_050.inp: OK tests/cases/cif_parser_test_040.inp: OK tests/cases/cif_parser_test_027.inp: OK tests/cases/cif_parser_test_074.inp: OK tests/cases/cif_parser_test_097.inp: OK tests/cases/cif_parser_test_063.inp: OK tests/cases/cif_parser_test_046.inp: OK tests/cases/cif_parser_test_002.inp: OK tests/cases/cif_parser_test_078.inp: OK tests/cases/cif_parser_test_021.inp: OK tests/cases/cif_parser_test_111.inp: OK tests/cases/cif_parser_test_038.inp: OK tests/cases/cif_parser_test_095.inp: OK tests/cases/cif_parser_test_084.inp: OK tests/cases/cif_parser_test_076.inp: OK tests/cases/cif_parser_test_035.inp: OK tests/cases/cif_parser_test_033.inp: OK tests/cases/cif_parser_test_029.inp: OK tests/cases/cif_parser_test_119.inp: OK tests/cases/cif_parser_test_103.inp: OK tests/cases/cif_parser_test_104.inp: OK tests/cases/cif_parser_test_001.inp: OK tests/cases/cif_parser_test_006.inp: OK tests/cases/cif_parser_test_089.inp: OK unicode_001: OK build_cif_001: OK tag_index_002: OK build_cif_002: OK build_cif_003: OK tag_index_001: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' sed 's/@VERSION@/2.3/' src/lib/perl5/COD/ToolsVersion.pmin > src/lib/perl5/COD/ToolsVersion.pm make -C /build/cod-tools-2.3+dfsg/src/externals/getoptions/ \ lib/libgetoptions.a make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -M -MG tests/programs/topt.c > tests/programs/.topt.d cc -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -M -MG getoptions.c > .getoptions.d cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -c getoptions.c -o obj/getoptions.o ar cr lib/libgetoptions.a obj/getoptions.o make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' make -C /build/cod-tools-2.3+dfsg/src/externals/getoptions/ tests make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/topt.c lib/libgetoptions.a -o tests/bin/topt -lm -lcexceptions topt_005: OK topt_003: OK topt_004: OK topt_001: OK topt_002: OK make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' make -C /build/cod-tools-2.3+dfsg/src/components/codcif/ make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/codcif' gcc -shared -Xlinker -soname=libcodcif.so.2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -Wl,-z,relro -Wl,-z,now -o lib/libcodcif.so.2.3 obj/cif_options.o obj/common.o obj/ciftable.o obj/cif.o obj/cif2_lexer.o obj/cifmessage.o obj/cif_grammar_flex.o obj/cif_lexer.o obj/cifvalue.o obj/datablock.o obj/cif_compiler.o obj/ciflist.o obj/cif2_grammar.tab.o obj/cif_grammar.tab.o sed 's/@VERSION@/2.3/' version.hin > version.h gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cifparse programs/cifparse.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cifvalues programs/cifvalues.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm gcc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wall -g -O3 -funroll-loops -fomit-frame-pointer -foptimize-register-move -DYYDEBUG=1 -D_YACC_ -I. -I../../externals/cexceptions -I../../externals/getoptions -fPIC -DSVN_VERSION="\"6652\"" -Wl,-z,relro -Wl,-z,now -o cif_list_tags programs/cif_list_tags.c obj/cif2_grammar.tab.o obj/cif_grammar.tab.o lib/libcodcif.a ../../externals/cexceptions/lib/libcexceptions.a ../../externals/getoptions/lib/libgetoptions.a version.h -lm make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/codcif' tests/cases/cif-to-utf8_001.inp: OK tests/cases/cif-to-utf8_002.inp: OK tests/cases/cif-to-utf8_003.inp: OK tests/cases/cif-to-utf8_004.inp: OK tests/cases/cif-to-utf8_005.inp: OK tests/cases/cif2cod_001.inp: OK tests/cases/cif2cod_002.inp: OK tests/cases/cif2cod_003.inp: OK tests/cases/cif2cod_004.inp: OK tests/cases/cif2cod_005.inp: OK tests/cases/cif2cod_006.inp: OK tests/cases/cif2cod_007.inp: OK tests/cases/cif2cod_008.inp: OK tests/cases/cif2cod_009.inp: OK tests/cases/cif2cod_010.inp: OK tests/cases/cif2cod_011.inp: OK tests/cases/cif2cod_012.inp: OK tests/cases/cif2cod_013.inp: OK tests/cases/cif2cod_014.inp: OK tests/cases/cif2cod_015.inp: OK tests/cases/cif2cod_016.inp: OK tests/cases/cif2cod_017.inp: OK tests/cases/cif2cod_018.inp: OK tests/cases/cif2cod_019.inp: OK tests/cases/cif2cod_020.inp: OK tests/cases/cif2cod_021.inp: OK tests/cases/cif2cod_022.inp: OK tests/cases/cif2cod_023.inp: OK tests/cases/cif2cod_024.inp: OK tests/cases/cif2cod_025.inp: OK tests/cases/cif2cod_026.inp: OK tests/cases/cif2cod_027.inp: OK tests/cases/cif2cod_028.inp: OK tests/cases/cif2cod_029.inp: OK tests/cases/cif2cod_030.opt: OK tests/cases/cif2cod_031.inp: OK tests/cases/cif2cod_032.inp: OK tests/cases/cif2cod_033.inp: OK tests/cases/cif2cod_034.opt: OK tests/cases/cif2cod_035.opt: OK tests/cases/cif2cod_036.inp: OK tests/cases/cif2cod_037.inp: OK tests/cases/cif2cod_038.inp: OK tests/cases/cif2cod_039.inp: OK tests/cases/cif2cod_040.inp: OK tests/cases/cif2cod_041.inp: OK tests/cases/cif2cod_042.inp: OK tests/cases/cif2cod_043.inp: OK tests/cases/cif2cod_044.inp: OK tests/cases/cif2cod_045.inp: OK tests/cases/cif2cod_046.inp: OK tests/cases/cif2cod_047.opt: OK tests/cases/cif2cod_048.inp: OK tests/cases/cif2cod_049.inp: OK tests/cases/cif2cod_050.inp: OK tests/cases/cif2cod_051.inp: OK tests/cases/cif2csv_001.inp: OK tests/cases/cif2csv_002.inp: OK tests/cases/cif2json_001.inp: OK tests/cases/cif2json_002.inp: OK tests/cases/cif2rdf_001.inp: OK tests/cases/cif2rdf_002.inp: OK tests/cases/cif2rdf_003.inp: OK tests/cases/cif2rdf_004.inp: OK tests/cases/cif2rdf_005.opt: OK tests/cases/cif2rdf_006.inp: OK tests/cases/cif2rdf_007.opt: OK tests/cases/cif2rdf_008.opt: OK tests/cases/cif2rdf_009.opt: OK tests/cases/cif2rdf_010.opt: OK tests/cases/cif2ref_001.inp: OK tests/cases/cif2ref_002.inp: OK tests/cases/cif2ref_003.inp: OK tests/cases/cif2ref_004.inp: OK tests/cases/cif2ref_005.inp: OK tests/cases/cif2ref_006.inp: OK tests/cases/cif2ref_007.inp: OK tests/cases/cif2ref_008.inp: OK tests/cases/cif2ref_009.inp: OK tests/cases/cif2ref_010.inp: OK tests/cases/cif2ref_011.inp: OK tests/cases/cif2xyz_001.inp: OK tests/cases/cif2xyz_002.inp: OK tests/cases/cif2xyz_003.inp: OK tests/cases/cif_Fcalc_001.inp: OK tests/cases/cif_Fcalc_002.inp: OK tests/cases/cif_Fcalc_003.inp: OK tests/cases/cif_Fcalc_004.inp: OK tests/cases/cif_Fcalc_005.inp: OK tests/cases/cif_Fcalc_006.inp: OK tests/cases/cif_Fcalc_007.inp: OK tests/cases/cif_Fcalc_008.inp: OK tests/cases/cif_Fcalc_009.inp: OK tests/cases/cif_Fcalc_010.inp: OK tests/cases/cif_adjust_journal_name_volume_001.inp: OK tests/cases/cif_bounding_box_001.inp: OK tests/cases/cif_bounding_box_002.inp: OK tests/cases/cif_cell_contents_001.inp: OK tests/cases/cif_cell_contents_002.inp: OK tests/cases/cif_cell_contents_003.inp: OK tests/cases/cif_cell_contents_004.inp: OK tests/cases/cif_cell_contents_005.inp: OK tests/cases/cif_cell_contents_006.inp: OK tests/cases/cif_cell_contents_007.inp: OK tests/cases/cif_cell_contents_008.inp: OK tests/cases/cif_cell_contents_009.inp: OK tests/cases/cif_cell_contents_010.inp: OK tests/cases/cif_cell_contents_011.opt: OK tests/cases/cif_cell_contents_012.inp: OK tests/cases/cif_cell_contents_013.inp: OK tests/cases/cif_cell_contents_014.inp: OK tests/cases/cif_cell_contents_015.inp: OK tests/cases/cif_cell_contents_016.inp: OK tests/cases/cif_cell_contents_017.inp: OK tests/cases/cif_cell_contents_018.inp: OK tests/cases/cif_cell_contents_019.inp: OK tests/cases/cif_cell_contents_020.inp: OK tests/cases/cif_cell_contents_021.inp: OK tests/cases/cif_cell_contents_022.inp: OK tests/cases/cif_cell_contents_023.inp: OK tests/cases/cif_cell_contents_024.opt: OK tests/cases/cif_cell_contents_025.opt: OK tests/cases/cif_classify_001.inp: OK tests/cases/cif_classify_002.inp: OK tests/cases/cif_classify_003.inp: OK tests/cases/cif_classify_004.inp: OK tests/cases/cif_classify_005.inp: OK tests/cases/cif_classify_006.inp: OK tests/cases/cif_classify_007.inp: OK tests/cases/cif_classify_008.inp: OK tests/cases/cif_classify_009.inp: OK tests/cases/cif_cod_check_001.inp: OK tests/cases/cif_cod_check_002.inp: OK tests/cases/cif_cod_check_003.inp: OK tests/cases/cif_cod_check_004.inp: OK tests/cases/cif_cod_check_005.inp: OK tests/cases/cif_cod_check_006.inp: OK tests/cases/cif_cod_check_007.inp: OK tests/cases/cif_cod_check_008.inp: OK tests/cases/cif_cod_check_009.inp: OK tests/cases/cif_cod_check_010.inp: OK tests/cases/cif_cod_check_011.inp: OK tests/cases/cif_cod_check_012.inp: OK tests/cases/cif_cod_check_013.inp: OK tests/cases/cif_cod_check_014.inp: OK tests/cases/cif_cod_check_015.inp: OK tests/cases/cif_cod_check_016.inp: OK tests/cases/cif_cod_check_017.inp: OK tests/cases/cif_cod_check_018.inp: OK tests/cases/cif_cod_check_019.inp: OK tests/cases/cif_cod_check_020.inp: OK tests/cases/cif_cod_check_021.inp: OK tests/cases/cif_cod_check_022.inp: OK tests/cases/cif_cod_check_023.inp: OK tests/cases/cif_cod_check_024.inp: OK tests/cases/cif_cod_check_025.inp: OK tests/cases/cif_cod_check_026.inp: OK tests/cases/cif_cod_check_027.inp: OK tests/cases/cif_cod_check_028.inp: OK tests/cases/cif_cod_check_029.inp: OK tests/cases/cif_cod_check_030.inp: OK tests/cases/cif_cod_check_031.inp: OK tests/cases/cif_cod_check_032.inp: OK tests/cases/cif_cod_check_033.inp: OK tests/cases/cif_cod_check_034.inp: OK tests/cases/cif_cod_check_035.inp: OK tests/cases/cif_cod_check_036.inp: OK tests/cases/cif_cod_check_037.inp: OK tests/cases/cif_cod_check_038.inp: OK tests/cases/cif_cod_check_039.inp: OK tests/cases/cif_cod_check_040.inp: OK tests/cases/cif_cod_check_041.inp: OK tests/cases/cif_cod_check_042.inp: OK tests/cases/cif_cod_check_043.inp: OK tests/cases/cif_cod_check_044.inp: OK tests/cases/cif_cod_check_045.inp: OK tests/cases/cif_cod_check_046.inp: OK tests/cases/cif_cod_check_047.inp: OK tests/cases/cif_cod_check_048.inp: OK tests/cases/cif_cod_check_049.inp: OK tests/cases/cif_cod_check_050.inp: OK tests/cases/cif_cod_check_051.inp: OK tests/cases/cif_cod_check_052.inp: OK tests/cases/cif_cod_check_053.inp: OK tests/cases/cif_cod_check_054.inp: OK tests/cases/cif_cod_check_055.inp: OK tests/cases/cif_cod_check_056.inp: OK tests/cases/cif_cod_check_057.inp: OK tests/cases/cif_cod_check_058.inp: OK tests/cases/cif_cod_check_059.inp: OK tests/cases/cif_cod_check_060.inp: OK tests/cases/cif_cod_check_061.inp: OK tests/cases/cif_cod_check_062.inp: OK tests/cases/cif_cod_check_063.inp: OK tests/cases/cif_cod_check_064.inp: OK tests/cases/cif_cod_check_065.inp: OK tests/cases/cif_cod_check_066.inp: OK tests/cases/cif_cod_check_067.inp: OK tests/cases/cif_cod_check_068.inp: OK tests/cases/cif_cod_check_069.inp: OK tests/cases/cif_cod_check_070.inp: OK tests/cases/cif_cod_check_071.inp: OK tests/cases/cif_cod_check_072.inp: OK tests/cases/cif_cod_check_073.inp: OK tests/cases/cif_cod_check_074.inp: OK tests/cases/cif_cod_check_075.inp: OK tests/cases/cif_cod_check_076.inp: OK tests/cases/cif_cod_check_077.inp: OK tests/cases/cif_cod_check_078.inp: OK tests/cases/cif_cod_check_079.inp: OK tests/cases/cif_cod_check_080.inp: OK tests/cases/cif_cod_check_081.inp: OK tests/cases/cif_cod_check_082.inp: OK tests/cases/cif_cod_check_083.inp: OK tests/cases/cif_cod_check_084.inp: OK tests/cases/cif_cod_check_085.inp: OK tests/cases/cif_cod_check_086.inp: OK tests/cases/cif_cod_check_087.inp: OK tests/cases/cif_cod_check_088.inp: OK tests/cases/cif_cod_check_089.inp: OK tests/cases/cif_cod_check_090.inp: OK tests/cases/cif_cod_check_091.inp: OK tests/cases/cif_cod_check_092.inp: OK tests/cases/cif_cod_check_093.inp: OK tests/cases/cif_cod_check_094.inp: OK tests/cases/cif_cod_check_095.inp: OK tests/cases/cif_cod_check_096.inp: OK tests/cases/cif_cod_check_097.inp: OK tests/cases/cif_cod_check_098.inp: OK tests/cases/cif_cod_check_099.inp: OK tests/cases/cif_cod_check_100.inp: OK tests/cases/cif_cod_check_101.inp: OK tests/cases/cif_cod_check_102.inp: OK tests/cases/cif_cod_check_103.inp: OK tests/cases/cif_cod_check_104.inp: OK tests/cases/cif_cod_check_105.inp: OK tests/cases/cif_cod_check_106.inp: OK tests/cases/cif_cod_check_107.inp: OK tests/cases/cif_cod_check_108.inp: OK tests/cases/cif_cod_check_109.inp: OK tests/cases/cif_cod_check_110.inp: OK tests/cases/cif_cod_check_111.inp: OK tests/cases/cif_cod_check_112.inp: OK tests/cases/cif_cod_check_113.inp: OK tests/cases/cif_cod_check_114.inp: OK tests/cases/cif_cod_check_115.inp: OK tests/cases/cif_cod_numbers_001.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_002.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_003.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_004.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_005.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_006.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_007.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_008.opt: OK tests/cases/cif_cod_numbers_009.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_010.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_011.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_012.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_013.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_014.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_015.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_016.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_017.opt: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_018.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_019.inp: Test skipped - not running tests requiring network access tests/cases/cif_cod_numbers_020.opt: OK tests/cases/cif_cod_numbers_021.opt: OK tests/cases/cif_correct_tags_001.inp: OK tests/cases/cif_correct_tags_002.inp: OK tests/cases/cif_correct_tags_003.inp: OK tests/cases/cif_correct_tags_004.inp: OK tests/cases/cif_correct_tags_005.inp: OK tests/cases/cif_correct_tags_006.inp: OK tests/cases/cif_correct_tags_007.inp: OK tests/cases/cif_correct_tags_008.inp: OK tests/cases/cif_correct_tags_009.inp: OK tests/cases/cif_correct_tags_010.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_001.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_002.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_003.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_004.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_005.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_006.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_007.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_008.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_009.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_010.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_011.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_012.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_013.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_014.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_015.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_016.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_017.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_018.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_019.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_020.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_021.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_022.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_023.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_024.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_025.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_026.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_027.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_028.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_029.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_030.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_031.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_032.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_033.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_034.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_035.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_036.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_037.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_038.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_039.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_040.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_041.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_042.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_043.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_044.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_045.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_046.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_047.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_048.inp: OK tests/cases/cif_create_AMCSD_pressure_temp_tags_049.inp: OK tests/cases/cif_dictionary_tags_001.inp: OK tests/cases/cif_dictionary_tags_002.inp: OK tests/cases/cif_dictionary_tags_003.inp: OK tests/cases/cif_diff_001.opt: OK tests/cases/cif_diff_002.opt: OK tests/cases/cif_diff_003.opt: OK tests/cases/cif_diff_004.opt: OK tests/cases/cif_diff_005.opt: OK tests/cases/cif_diff_006.opt: OK tests/cases/cif_diff_007.opt: OK tests/cases/cif_diff_008.opt: OK tests/cases/cif_diff_009.opt: OK tests/cases/cif_diff_010.opt: OK tests/cases/cif_diff_011.opt: OK tests/cases/cif_diff_012.opt: OK tests/cases/cif_distances_001.inp: OK tests/cases/cif_distances_002.inp: OK tests/cases/cif_distances_003.inp: OK tests/cases/cif_distances_004.inp: OK tests/cases/cif_distances_005.inp: OK tests/cases/cif_distances_006.inp: OK tests/cases/cif_distances_007.inp: OK tests/cases/cif_distances_008.inp: OK tests/cases/cif_distances_009.inp: OK tests/cases/cif_distances_010.inp: OK tests/cases/cif_distances_011.inp: OK tests/cases/cif_distances_012.inp: OK tests/cases/cif_distances_013.inp: OK tests/cases/cif_distances_014.inp: OK tests/cases/cif_distances_015.inp: OK tests/cases/cif_distances_016.inp: OK tests/cases/cif_distances_017.inp: OK tests/cases/cif_distances_018.inp: OK tests/cases/cif_distances_019.inp: OK tests/cases/cif_distances_020.inp: OK tests/cases/cif_distances_021.inp: OK tests/cases/cif_distances_022.inp: OK tests/cases/cif_distances_023.inp: OK tests/cases/cif_distances_024.inp: OK tests/cases/cif_distances_025.inp: OK tests/cases/cif_distances_026.inp: OK tests/cases/cif_distances_027.inp: OK tests/cases/cif_distances_028.inp: OK tests/cases/cif_distances_029.inp: OK tests/cases/cif_distances_030.inp: OK tests/cases/cif_distances_031.inp: OK tests/cases/cif_distances_032.inp: OK tests/cases/cif_distances_033.inp: OK tests/cases/cif_distances_034.inp: OK tests/cases/cif_distances_035.inp: OK tests/cases/cif_distances_036.inp: OK tests/cases/cif_distances_037.inp: OK tests/cases/cif_distances_038.inp: OK tests/cases/cif_distances_039.inp: OK tests/cases/cif_distances_040.inp: OK tests/cases/cif_distances_041.inp: OK tests/cases/cif_distances_042.inp: OK tests/cases/cif_distances_043.inp: OK tests/cases/cif_estimate_Z_001.inp: OK tests/cases/cif_estimate_Z_002.inp: OK tests/cases/cif_estimate_Z_003.inp: OK tests/cases/cif_eval_numbers_001.inp: OK tests/cases/cif_eval_numbers_002.inp: OK tests/cases/cif_eval_numbers_003.inp: OK tests/cases/cif_eval_numbers_004.inp: OK tests/cases/cif_eval_numbers_005.inp: OK tests/cases/cif_eval_numbers_006.inp: OK tests/cases/cif_eval_numbers_007.inp: OK tests/cases/cif_fillcell_001.inp: OK tests/cases/cif_fillcell_002.inp: OK tests/cases/cif_fillcell_003.inp: OK tests/cases/cif_fillcell_004.inp: OK tests/cases/cif_fillcell_005.inp: OK tests/cases/cif_fillcell_006.inp: OK tests/cases/cif_fillcell_007.inp: OK tests/cases/cif_fillcell_008.inp: OK tests/cases/cif_fillcell_009.inp: OK tests/cases/cif_fillcell_010.inp: OK tests/cases/cif_fillcell_011.inp: OK tests/cases/cif_fillcell_012.inp: OK tests/cases/cif_fillcell_013.inp: OK tests/cases/cif_filter_001.inp: OK tests/cases/cif_filter_002.inp: OK tests/cases/cif_filter_003.inp: OK tests/cases/cif_filter_004.inp: OK tests/cases/cif_filter_005.inp: OK tests/cases/cif_filter_006.inp: OK tests/cases/cif_filter_007.inp: OK tests/cases/cif_filter_008.inp: OK tests/cases/cif_filter_009.inp: OK tests/cases/cif_filter_010.inp: OK tests/cases/cif_filter_011.inp: OK tests/cases/cif_filter_012.inp: OK tests/cases/cif_filter_013.inp: OK tests/cases/cif_filter_014.inp: OK tests/cases/cif_filter_015.inp: OK tests/cases/cif_filter_016.inp: OK tests/cases/cif_filter_017.inp: OK tests/cases/cif_filter_018.inp: OK tests/cases/cif_filter_019.inp: OK tests/cases/cif_filter_020.inp: OK tests/cases/cif_filter_021.inp: OK tests/cases/cif_filter_022.inp: OK tests/cases/cif_filter_023.inp: OK tests/cases/cif_filter_024.inp: OK tests/cases/cif_filter_025.inp: OK tests/cases/cif_filter_026.inp: OK tests/cases/cif_filter_027.inp: OK tests/cases/cif_filter_028.inp: OK tests/cases/cif_filter_029.inp: OK tests/cases/cif_filter_030.inp: OK tests/cases/cif_filter_031.inp: OK tests/cases/cif_filter_032.inp: OK tests/cases/cif_filter_033.inp: OK tests/cases/cif_filter_034.inp: OK tests/cases/cif_filter_035.inp: OK tests/cases/cif_filter_036.inp: OK tests/cases/cif_filter_037.inp: OK tests/cases/cif_filter_038.inp: OK tests/cases/cif_filter_039.inp: OK tests/cases/cif_filter_040.inp: OK tests/cases/cif_filter_041.inp: OK tests/cases/cif_filter_042.inp: OK tests/cases/cif_filter_043.inp: OK tests/cases/cif_filter_044.inp: OK tests/cases/cif_filter_045.inp: OK tests/cases/cif_filter_046.inp: OK tests/cases/cif_filter_047.inp: OK tests/cases/cif_filter_048.inp: OK tests/cases/cif_filter_049.inp: OK tests/cases/cif_filter_050.inp: OK tests/cases/cif_filter_051.inp: OK tests/cases/cif_filter_052.inp: OK tests/cases/cif_filter_053.inp: OK tests/cases/cif_filter_054.inp: OK tests/cases/cif_filter_055.inp: OK tests/cases/cif_filter_056.inp: OK tests/cases/cif_filter_057.inp: OK tests/cases/cif_filter_058.inp: OK tests/cases/cif_filter_059.inp: OK tests/cases/cif_filter_060.inp: OK tests/cases/cif_filter_061.inp: OK tests/cases/cif_filter_062.inp: OK tests/cases/cif_filter_063.inp: OK tests/cases/cif_filter_064.inp: OK tests/cases/cif_filter_065.inp: OK tests/cases/cif_filter_066.inp: OK tests/cases/cif_filter_067.inp: OK tests/cases/cif_filter_068.inp: OK tests/cases/cif_filter_069.inp: OK tests/cases/cif_filter_070.inp: OK tests/cases/cif_filter_071.inp: OK tests/cases/cif_filter_072.inp: OK tests/cases/cif_filter_073.inp: OK tests/cases/cif_filter_074.inp: OK tests/cases/cif_filter_075.inp: OK tests/cases/cif_filter_076.inp: OK tests/cases/cif_filter_077.inp: OK tests/cases/cif_filter_078.inp: OK tests/cases/cif_filter_079.inp: OK tests/cases/cif_filter_080.inp: OK tests/cases/cif_filter_081.inp: OK tests/cases/cif_filter_082.inp: OK tests/cases/cif_filter_083.inp: OK tests/cases/cif_filter_084.inp: OK tests/cases/cif_filter_085.inp: OK tests/cases/cif_filter_086.inp: OK tests/cases/cif_filter_087.inp: OK tests/cases/cif_filter_088.inp: OK tests/cases/cif_filter_089.inp: OK tests/cases/cif_filter_090.inp: OK tests/cases/cif_filter_091.inp: OK tests/cases/cif_filter_092.inp: OK tests/cases/cif_filter_093.inp: OK tests/cases/cif_filter_094.opt: OK tests/cases/cif_filter_095.opt: OK tests/cases/cif_filter_096.inp: OK tests/cases/cif_filter_097.inp: OK tests/cases/cif_filter_098.inp: OK tests/cases/cif_filter_099.inp: OK tests/cases/cif_filter_100.inp: OK tests/cases/cif_filter_101.inp: OK tests/cases/cif_filter_102.inp: OK tests/cases/cif_filter_103.inp: OK tests/cases/cif_filter_104.inp: OK tests/cases/cif_filter_105.inp: OK tests/cases/cif_filter_106.inp: OK tests/cases/cif_filter_107.inp: OK tests/cases/cif_filter_108.inp: OK tests/cases/cif_filter_109.inp: OK tests/cases/cif_filter_110.inp: OK tests/cases/cif_filter_111.inp: OK tests/cases/cif_filter_112.inp: OK tests/cases/cif_filter_113.inp: OK tests/cases/cif_filter_114.inp: OK tests/cases/cif_filter_115.inp: OK tests/cases/cif_filter_116.inp: OK tests/cases/cif_filter_117.inp: OK tests/cases/cif_filter_118.inp: OK tests/cases/cif_filter_119.inp: OK tests/cases/cif_filter_120.inp: OK tests/cases/cif_filter_121.inp: OK tests/cases/cif_filter_122.inp: OK tests/cases/cif_filter_123.inp: OK tests/cases/cif_filter_124.inp: OK tests/cases/cif_filter_125.inp: OK tests/cases/cif_filter_126.inp: OK tests/cases/cif_filter_127.inp: OK tests/cases/cif_filter_128.inp: OK tests/cases/cif_filter_129.inp: OK tests/cases/cif_filter_130.inp: OK tests/cases/cif_filter_131.inp: OK tests/cases/cif_filter_132.inp: OK tests/cases/cif_filter_133.inp: OK tests/cases/cif_filter_134.inp: OK tests/cases/cif_filter_135.inp: OK tests/cases/cif_filter_136.inp: OK tests/cases/cif_filter_137.inp: OK tests/cases/cif_filter_138.inp: OK tests/cases/cif_filter_139.inp: OK tests/cases/cif_filter_140.inp: OK tests/cases/cif_filter_141.inp: OK tests/cases/cif_filter_142.inp: OK tests/cases/cif_filter_143.inp: OK tests/cases/cif_filter_144.inp: OK tests/cases/cif_filter_145.inp: OK tests/cases/cif_filter_146.inp: OK tests/cases/cif_filter_147.inp: OK tests/cases/cif_filter_148.inp: OK tests/cases/cif_filter_149.inp: OK tests/cases/cif_filter_150.inp: OK tests/cases/cif_filter_151.inp: OK tests/cases/cif_filter_152.inp: OK tests/cases/cif_filter_153.inp: OK tests/cases/cif_filter_154.inp: OK tests/cases/cif_filter_155.inp: OK tests/cases/cif_filter_156.inp: OK tests/cases/cif_filter_157.inp: OK tests/cases/cif_filter_158.inp: OK tests/cases/cif_filter_159.inp: OK tests/cases/cif_filter_160.inp: OK tests/cases/cif_filter_161.inp: OK tests/cases/cif_filter_162.inp: OK tests/cases/cif_filter_163.inp: OK tests/cases/cif_filter_164.inp: OK tests/cases/cif_filter_165.inp: OK tests/cases/cif_filter_166.inp: OK tests/cases/cif_filter_167.inp: OK tests/cases/cif_filter_168.inp: OK tests/cases/cif_filter_169.inp: OK tests/cases/cif_filter_170.inp: OK tests/cases/cif_filter_171.inp: OK tests/cases/cif_filter_172.inp: OK tests/cases/cif_filter_173.inp: OK tests/cases/cif_filter_174.inp: OK tests/cases/cif_filter_175.inp: OK tests/cases/cif_filter_176.inp: OK tests/cases/cif_filter_177.inp: OK tests/cases/cif_filter_178.inp: OK tests/cases/cif_filter_179.inp: OK tests/cases/cif_filter_180.inp: OK tests/cases/cif_filter_181.inp: OK tests/cases/cif_filter_182.inp: OK tests/cases/cif_filter_183.inp: OK tests/cases/cif_filter_184.inp: OK tests/cases/cif_filter_185.inp: OK tests/cases/cif_filter_186.inp: OK tests/cases/cif_filter_187.inp: OK tests/cases/cif_filter_188.inp: OK tests/cases/cif_filter_189.inp: OK tests/cases/cif_filter_190.inp: OK tests/cases/cif_find_duplicates_001.inp: OK tests/cases/cif_find_duplicates_002.opt: OK tests/cases/cif_find_duplicates_003.opt: OK tests/cases/cif_find_duplicates_004.opt: OK tests/cases/cif_find_duplicates_005.opt: OK tests/cases/cif_find_duplicates_006.opt: OK tests/cases/cif_find_duplicates_007.opt: OK tests/cases/cif_find_duplicates_008.opt: OK tests/cases/cif_find_duplicates_009.opt: OK tests/cases/cif_find_duplicates_010.opt: OK tests/cases/cif_find_duplicates_011.opt: OK tests/cases/cif_find_symmetry_001.inp: FAILED: 49,52c49,52 < V1 V 0.5 0.8222 0.25 0.00000 Uiso 1.00 < H2 H 0.5 0.5149 0.25 0.00000 Uiso 0.50 < O9 O 0 0.7111 0.25 0.00000 Uiso 1.00 < O10 O 0 0.9262 0.25 0.00000 Uiso 1.00 --- > V1 V 0.5 0.1778 0.75 0.00000 Uiso 1.00 > H2 H 0.5 0.4851 0.75 0.00000 Uiso 0.50 > O9 O 1 0.2889 0.75 0.00000 Uiso 1.00 > O10 O 1 0.0738 0.75 0.00000 Uiso 1.00 tests/cases/cif_find_symmetry_002.inp: OK tests/cases/cif_find_symmetry_003.inp: FAILED: 71c71 < Co CO1 0 0 0 1.0 Uiso 0.00684 1 --- > Co CO1 0 0 1 1.0 Uiso 0.00684 1 tests/cases/cif_find_symmetry_004.inp: Test skipped - test only compatible with x86_64 architecture tests/cases/cif_find_symmetry_005.inp: FAILED: 32,33c32,33 < _cell_angle_alpha 89.9999831346 < _cell_angle_beta 89.9999831346 --- > _cell_angle_alpha 90.0000168654 > _cell_angle_beta 90.0000168654 tests/cases/cif_find_symmetry_006.inp: OK tests/cases/cif_find_symmetry_007.inp: FAILED: 119,124c119,124 < 7 -x,-z,-y < 8 x,z,y < 9 -y,-x,-z < 10 y,x,z < 11 -z,-y,-x < 12 z,y,x --- > 7 -z,-y,-x > 8 z,y,x > 9 -x,-z,-y > 10 x,z,y > 11 -y,-x,-z > 12 y,x,z tests/cases/cif_find_symmetry_008.inp: FAILED: 2c2 < _cell_length_a 4.01206506674 --- > _cell_length_a 4.01206456672 5,7c5,7 < _cell_angle_alpha 90.0000000001 < _cell_angle_beta 89.9999999995 < _cell_angle_gamma 120.000007695 --- > _cell_angle_alpha 89.9999999999 > _cell_angle_beta 89.9999999996 > _cell_angle_gamma 119.999995327 24,25c24,25 < Ac 0.333333333333 0.666666666667 0.666666666667 < Ac 0.666666666667 0.333333333333 0.555533333333 --- > Ac 1 0 0 > Ac 0.666666666667 0.333333333333 0.111133333333 31,38c31,38 < 3 -x+y+z,-x,z < 4 x-y-z,x,-z < 5 -y,x-y-z,z < 6 y,-x+y+z,-z < 7 x-y-z,-y,-z < 8 -x+y+z,y,z < 9 y,x,-z < 10 -y,-x,z --- > 3 -y,x-y-z,z > 4 y,-x+y+z,-z > 5 -x+y+z,-x,z > 6 x-y-z,x,-z > 7 y,x,-z > 8 -y,-x,z > 9 x-y-z,-y,-z > 10 -x+y+z,y,z tests/cases/cif_find_symmetry_009.inp: Test skipped - test only compatible with x86_64 architecture tests/cases/cif_find_symmetry_010.inp: FAILED: 24,30c24,30 < P 0.218900714208 0.510309571145 0.347909813557 < Pb 0.288910247394 0.974939834676 0.230842029195 < Rb 0.0211902417679 0.503420081018 0.0431900563665 < S 0.610100489162 0.758760220631 0.131630004336 < S 0.398999796834 0.751419303727 0.375199884376 < S 0.15329988904 0.531599874438 0.231339788987 < S 0.0472002125432 0.0038999088182 0.0880601242954 --- > P 0.218900714208 0.0103095711448 0.347909813557 > Pb 0.288910247394 0.474939834676 0.230842029195 > Rb 0.0211902417679 0.00342008101785 0.0431900563665 > S 0.610100489162 0.258760220631 0.131630004336 > S 0.398999796834 0.251419303727 0.375199884376 > S 0.15329988904 0.0315998744378 0.231339788987 > S 0.0472002125432 0.503899908818 0.0880601242954 tests/cases/cif_find_symmetry_011.inp: OK tests/cases/cif_find_symmetry_012.inp: Test skipped - test only compatible with x86_64 architecture tests/cases/cif_find_symmetry_013.inp: FAILED: 6c6 < _cell_angle_alpha 90.0000002967 --- > _cell_angle_alpha 89.9999997033 8c8 < _cell_angle_gamma 89.9999852376 --- > _cell_angle_gamma 90.0000147624 39c39 < H 0.999999090751 0.249999090752 0.249930794315 1 --- > H 9.09248500019e-07 0.749999090751 0.750069205684 1 tests/cases/cif_fix_values_001.inp: OK tests/cases/cif_fix_values_002.inp: OK tests/cases/cif_fix_values_003.inp: OK tests/cases/cif_fix_values_004.inp: OK tests/cases/cif_fix_values_005.inp: OK tests/cases/cif_fix_values_006.inp: OK tests/cases/cif_fix_values_007.inp: OK tests/cases/cif_fix_values_008.inp: OK tests/cases/cif_fix_values_009.inp: OK tests/cases/cif_fix_values_010.inp: OK tests/cases/cif_fix_values_011.inp: OK tests/cases/cif_fix_values_012.inp: OK tests/cases/cif_fix_values_013.inp: OK tests/cases/cif_fix_values_014.inp: OK tests/cases/cif_fix_values_015.inp: OK tests/cases/cif_fix_values_016.inp: OK tests/cases/cif_fix_values_017.inp: OK tests/cases/cif_fix_values_018.inp: OK tests/cases/cif_fix_values_019.inp: OK tests/cases/cif_fix_values_020.inp: OK tests/cases/cif_fix_values_023.inp: OK tests/cases/cif_fix_values_024.inp: OK tests/cases/cif_fix_values_025.inp: OK tests/cases/cif_fix_values_026.inp: OK tests/cases/cif_fix_values_027.inp: OK tests/cases/cif_fix_values_028.inp: OK tests/cases/cif_fix_values_029.inp: OK tests/cases/cif_fix_values_030.inp: OK tests/cases/cif_fix_values_031.inp: OK tests/cases/cif_fix_values_032.inp: OK tests/cases/cif_fix_values_033.inp: OK tests/cases/cif_fix_values_034.inp: OK tests/cases/cif_fix_values_035.inp: OK tests/cases/cif_fix_values_036.inp: OK tests/cases/cif_fix_values_037.inp: OK tests/cases/cif_fix_values_038.inp: OK tests/cases/cif_fix_values_039.inp: OK tests/cases/cif_fix_values_040.inp: OK tests/cases/cif_fix_values_041.inp: OK tests/cases/cif_fix_values_042.inp: OK tests/cases/cif_fix_values_043.inp: OK tests/cases/cif_fix_values_044.inp: OK tests/cases/cif_fix_values_045.inp: OK tests/cases/cif_fix_values_046.inp: OK tests/cases/cif_fix_values_047.inp: OK tests/cases/cif_fix_values_048.inp: OK tests/cases/cif_fix_values_049.inp: OK tests/cases/cif_fix_values_050.inp: OK tests/cases/cif_fix_values_051.inp: OK tests/cases/cif_fix_values_052.inp: OK tests/cases/cif_fix_values_053.inp: OK tests/cases/cif_fix_values_054.inp: OK tests/cases/cif_fix_values_055.inp: OK tests/cases/cif_fix_values_056.inp: OK tests/cases/cif_fix_values_057.inp: OK tests/cases/cif_fix_values_058.inp: OK tests/cases/cif_fix_values_059.inp: OK tests/cases/cif_fix_values_060.inp: OK tests/cases/cif_fix_values_061.inp: OK tests/cases/cif_fix_values_062.inp: OK tests/cases/cif_fix_values_063.inp: OK tests/cases/cif_fix_values_064.inp: OK tests/cases/cif_fix_values_065.inp: OK tests/cases/cif_fix_values_066.inp: OK tests/cases/cif_fix_values_067.inp: OK tests/cases/cif_fix_values_068.inp: OK tests/cases/cif_fix_values_069.inp: OK tests/cases/cif_fix_values_070.inp: OK tests/cases/cif_fix_values_071.inp: OK tests/cases/cif_fix_values_072.inp: OK tests/cases/cif_fix_values_073.inp: OK tests/cases/cif_fix_values_074.inp: OK tests/cases/cif_fix_values_075.inp: OK tests/cases/cif_fix_values_076.inp: OK tests/cases/cif_fix_values_077.inp: OK tests/cases/cif_fix_values_078.inp: OK tests/cases/cif_fix_values_079.inp: OK tests/cases/cif_fix_values_080.inp: OK tests/cases/cif_fix_values_081.inp: OK tests/cases/cif_fix_values_082.inp: OK tests/cases/cif_fix_values_083.inp: OK tests/cases/cif_fix_values_084.inp: OK tests/cases/cif_fix_values_085.inp: OK tests/cases/cif_fix_values_086.inp: OK tests/cases/cif_fix_values_087.inp: OK tests/cases/cif_fix_values_088.inp: OK tests/cases/cif_fix_values_089.inp: OK tests/cases/cif_fix_values_090.inp: OK tests/cases/cif_fix_values_091.inp: OK tests/cases/cif_fix_values_092.inp: OK tests/cases/cif_fix_values_093.inp: OK tests/cases/cif_fix_values_094.inp: OK tests/cases/cif_fix_values_095.inp: OK tests/cases/cif_fix_values_096.inp: OK tests/cases/cif_fix_values_097.inp: OK tests/cases/cif_fix_values_098.inp: OK tests/cases/cif_fix_values_099.inp: OK tests/cases/cif_fix_values_100.inp: OK tests/cases/cif_fix_values_101.inp: OK tests/cases/cif_fix_values_102.inp: OK tests/cases/cif_fix_values_103.inp: OK tests/cases/cif_fix_values_104.inp: OK tests/cases/cif_fix_values_105.inp: OK tests/cases/cif_fix_values_106.inp: OK tests/cases/cif_fix_values_107.inp: OK tests/cases/cif_fix_values_108.inp: OK tests/cases/cif_fix_values_109.inp: OK tests/cases/cif_fix_values_110.inp: OK tests/cases/cif_fix_values_111.inp: OK tests/cases/cif_fix_values_112.inp: OK tests/cases/cif_fix_values_113.inp: OK tests/cases/cif_fix_values_114.inp: OK tests/cases/cif_fix_values_115.inp: OK tests/cases/cif_fix_values_116.inp: OK tests/cases/cif_fix_values_117.opt: OK tests/cases/cif_fix_values_118.inp: OK tests/cases/cif_fix_values_119.inp: OK tests/cases/cif_fix_values_120.inp: OK tests/cases/cif_fix_values_121.inp: OK tests/cases/cif_hkl_COD_number_001.inp: OK tests/cases/cif_hkl_COD_number_002.inp: OK tests/cases/cif_hkl_COD_number_003.inp: OK tests/cases/cif_hkl_COD_number_004.inp: OK tests/cases/cif_hkl_check_001.opt: OK tests/cases/cif_hkl_check_002.opt: OK tests/cases/cif_hkl_check_003.opt: OK tests/cases/cif_hkl_check_004.opt: OK tests/cases/cif_hkl_check_005.opt: OK tests/cases/cif_hkl_check_006.opt: OK tests/cases/cif_hkl_check_007.opt: OK tests/cases/cif_hkl_check_008.opt: OK tests/cases/cif_hkl_check_009.opt: OK tests/cases/cif_hkl_check_010.opt: OK tests/cases/cif_hkl_check_011.opt: OK tests/cases/cif_hkl_check_012.opt: OK tests/cases/cif_hkl_check_013.opt: OK tests/cases/cif_hkl_check_014.opt: OK tests/cases/cif_hkl_check_015.opt: OK tests/cases/cif_hkl_check_016.opt: OK tests/cases/cif_hkl_check_017.opt: OK tests/cases/cif_mark_disorder_001.opt: OK tests/cases/cif_mark_disorder_002.inp: OK tests/cases/cif_mark_disorder_003.inp: OK tests/cases/cif_mark_disorder_004.inp: OK tests/cases/cif_mark_disorder_005.inp: OK tests/cases/cif_mark_disorder_006.inp: OK tests/cases/cif_mark_disorder_007.inp: OK tests/cases/cif_mark_disorder_008.inp: OK tests/cases/cif_mark_disorder_009.inp: OK tests/cases/cif_mark_disorder_010.inp: OK tests/cases/cif_mark_disorder_011.inp: OK tests/cases/cif_mark_disorder_012.inp: OK tests/cases/cif_mark_disorder_013.inp: OK tests/cases/cif_mark_disorder_014.inp: OK tests/cases/cif_mark_disorder_015.inp: OK tests/cases/cif_mark_disorder_016.inp: OK tests/cases/cif_mark_disorder_017.inp: OK tests/cases/cif_mark_disorder_018.inp: OK tests/cases/cif_mark_disorder_019.inp: OK tests/cases/cif_mark_disorder_020.inp: OK tests/cases/cif_mark_disorder_021.inp: OK tests/cases/cif_mark_disorder_022.inp: OK tests/cases/cif_merge_001.opt: OK tests/cases/cif_merge_002.opt: OK tests/cases/cif_merge_003.opt: OK tests/cases/cif_merge_004.opt: OK tests/cases/cif_merge_005.opt: OK tests/cases/cif_merge_006.opt: OK tests/cases/cif_merge_007.opt: OK tests/cases/cif_molecule_001.inp: OK tests/cases/cif_molecule_002.inp: OK tests/cases/cif_molecule_003.inp: OK tests/cases/cif_molecule_004.inp: OK tests/cases/cif_molecule_005.inp: OK tests/cases/cif_molecule_006.inp: OK tests/cases/cif_molecule_007.inp: OK tests/cases/cif_molecule_008.inp: OK tests/cases/cif_molecule_009.inp: OK tests/cases/cif_molecule_010.inp: OK tests/cases/cif_molecule_011.inp: OK tests/cases/cif_molecule_012.inp: OK tests/cases/cif_molecule_013.inp: OK tests/cases/cif_molecule_014.inp: OK tests/cases/cif_molecule_015.inp: OK tests/cases/cif_molecule_016.inp: OK tests/cases/cif_molecule_017.inp: OK tests/cases/cif_molecule_018.inp: OK tests/cases/cif_molecule_019.inp: OK tests/cases/cif_molecule_020.inp: OK tests/cases/cif_molecule_021.inp: OK tests/cases/cif_molecule_022.inp: OK tests/cases/cif_molecule_023.inp: OK tests/cases/cif_molecule_024.inp: OK tests/cases/cif_molecule_025.inp: OK tests/cases/cif_molecule_026.inp: OK tests/cases/cif_molecule_027.inp: OK tests/cases/cif_molecule_028.inp: OK tests/cases/cif_molecule_029.inp: OK tests/cases/cif_molecule_030.inp: OK tests/cases/cif_molecule_031.inp: OK tests/cases/cif_molecule_032.inp: OK tests/cases/cif_molecule_033.inp: OK tests/cases/cif_molecule_034.inp: OK tests/cases/cif_molecule_035.inp: OK tests/cases/cif_molecule_036.inp: OK tests/cases/cif_molecule_037.inp: OK tests/cases/cif_molecule_038.inp: OK tests/cases/cif_molecule_039.inp: OK tests/cases/cif_molecule_040.inp: OK tests/cases/cif_molecule_041.inp: OK tests/cases/cif_molecule_042.inp: OK tests/cases/cif_molecule_043.inp: OK tests/cases/cif_molecule_044.inp: OK tests/cases/cif_molecule_045.inp: OK tests/cases/cif_molecule_046.inp: OK tests/cases/cif_molecule_047.inp: OK tests/cases/cif_molecule_048.inp: OK tests/cases/cif_molecule_049.inp: OK tests/cases/cif_molecule_050.inp: OK tests/cases/cif_molecule_051.inp: OK tests/cases/cif_molecule_052.inp: OK tests/cases/cif_molecule_053.inp: OK tests/cases/cif_molecule_054.inp: OK tests/cases/cif_molecule_055.inp: OK tests/cases/cif_molecule_056.inp: OK tests/cases/cif_molecule_057.inp: OK tests/cases/cif_molecule_058.inp: OK tests/cases/cif_molecule_059.inp: OK tests/cases/cif_molecule_060.inp: OK tests/cases/cif_molecule_061.inp: OK tests/cases/cif_molecule_062.inp: OK tests/cases/cif_molecule_063.inp: OK tests/cases/cif_molecule_064.inp: OK tests/cases/cif_molecule_065.opt: OK tests/cases/cif_molecule_066.opt: OK tests/cases/cif_molecule_067.opt: OK tests/cases/cif_molecule_068.opt: OK tests/cases/cif_molecule_069.opt: OK tests/cases/cif_molecule_070.inp: OK tests/cases/cif_molecule_071.inp: OK tests/cases/cif_molecule_072.inp: OK tests/cases/cif_molecule_073.inp: OK tests/cases/cif_molecule_074.inp: OK tests/cases/cif_molecule_075.inp: OK tests/cases/cif_molecule_076.inp: OK tests/cases/cif_molecule_077.inp: OK tests/cases/cif_molecule_078.inp: OK tests/cases/cif_molecule_079.inp: OK tests/cases/cif_molecule_080.inp: OK tests/cases/cif_molecule_081.inp: OK tests/cases/cif_molecule_082.inp: OK tests/cases/cif_molecule_083.inp: OK tests/cases/cif_molecule_084.inp: OK tests/cases/cif_molecule_085.inp: OK tests/cases/cif_molecule_086.inp: OK tests/cases/cif_molecule_087.inp: OK tests/cases/cif_molecule_088.inp: OK tests/cases/cif_molecule_089.inp: OK tests/cases/cif_molecule_090.inp: OK tests/cases/cif_molecule_091.inp: OK tests/cases/cif_molecule_092.inp: OK tests/cases/cif_molecule_093.inp: OK tests/cases/cif_molecule_094.inp: OK tests/cases/cif_molecule_095.inp: OK tests/cases/cif_molecule_096.inp: OK tests/cases/cif_mpod_v1_to_v2_001.inp: OK tests/cases/cif_mpod_v1_to_v2_002.inp: OK tests/cases/cif_mpod_v1_to_v2_003.inp: OK tests/cases/cif_mpod_v1_to_v2_004.inp: OK tests/cases/cif_mpod_v1_to_v2_005.inp: OK tests/cases/cif_mpod_v1_to_v2_006.inp: OK tests/cases/cif_mpod_v1_to_v2_007.inp: OK tests/cases/cif_mpod_v1_to_v2_008.inp: OK tests/cases/cif_mpod_v1_to_v2_009.inp: OK tests/cases/cif_mpod_v1_to_v3_001.inp: OK tests/cases/cif_mpod_v1_to_v3_002.inp: OK tests/cases/cif_mpod_v1_to_v3_003.inp: OK tests/cases/cif_mpod_v1_to_v3_004.inp: OK tests/cases/cif_mpod_v1_to_v3_005.inp: OK tests/cases/cif_mpod_v1_to_v3_006.inp: OK tests/cases/cif_mpod_v1_to_v3_007.inp: OK tests/cases/cif_mpod_v1_to_v3_008.inp: OK tests/cases/cif_mpod_v1_to_v3_009.inp: OK tests/cases/cif_mpod_v1_to_v3_010.inp: OK tests/cases/cif_mpod_v1_to_v3_011.inp: OK tests/cases/cif_mpod_v2_to_v1_001.inp: OK tests/cases/cif_mpod_v3_to_v1_001.inp: OK tests/cases/cif_mpod_v3_to_v1_002.inp: OK tests/cases/cif_mpod_v3_to_v1_003.inp: OK tests/cases/cif_overlay_001.opt: OK tests/cases/cif_overlay_002.opt: OK tests/cases/cif_p1_001.inp: OK tests/cases/cif_p1_002.inp: OK tests/cases/cif_p1_003.inp: OK tests/cases/cif_p1_004.inp: OK tests/cases/cif_p1_005.inp: OK tests/cases/cif_p1_006.inp: OK tests/cases/cif_p1_007.inp: OK tests/cases/cif_p1_008.inp: OK tests/cases/cif_p1_009.inp: OK tests/cases/cif_printout_001.inp: OK tests/cases/cif_printout_002.inp: OK tests/cases/cif_printout_003.inp: OK tests/cases/cif_printout_004.inp: OK tests/cases/cif_printout_005.inp: OK tests/cases/cif_printout_006.inp: OK tests/cases/cif_printout_007.inp: OK tests/cases/cif_printout_008.inp: OK tests/cases/cif_printout_009.inp: OK tests/cases/cif_printout_010.inp: OK tests/cases/cif_printout_011.inp: OK tests/cases/cif_printout_012.inp: OK tests/cases/cif_reduce_Niggli_001.inp: OK tests/cases/cif_reduce_Niggli_002.inp: OK tests/cases/cif_reduce_Niggli_003.inp: OK tests/cases/cif_reduce_Niggli_004.inp: OK tests/cases/cif_reduce_Niggli_005.inp: OK tests/cases/cif_reduce_Niggli_006.inp: OK tests/cases/cif_reduce_cell_001.inp: OK tests/cases/cif_reduce_cell_002.inp: OK tests/cases/cif_reduce_cell_003.inp: OK tests/cases/cif_reformat_AMCSD_author_names_001.inp: OK tests/cases/cif_reformat_AMCSD_author_names_002.inp: OK tests/cases/cif_reformat_AMCSD_author_names_003.opt: OK tests/cases/cif_reformat_AMCSD_author_names_004.inp: OK tests/cases/cif_reformat_AMCSD_author_names_005.inp: OK tests/cases/cif_reformat_AMCSD_author_names_006.inp: OK tests/cases/cif_reformat_AMCSD_author_names_007.inp: OK tests/cases/cif_reformat_AMCSD_author_names_008.inp: OK tests/cases/cif_reformat_pubmed_author_names_001.inp: OK tests/cases/cif_reformat_uppercase_author_names_001.inp: OK tests/cases/cif_reformat_uppercase_author_names_002.inp: OK tests/cases/cif_reformat_uppercase_author_names_003.inp: OK tests/cases/cif_reformat_uppercase_author_names_004.inp: OK tests/cases/cif_select_001.inp: OK tests/cases/cif_select_002.inp: OK tests/cases/cif_select_003.inp: OK tests/cases/cif_select_004.inp: OK tests/cases/cif_select_005.inp: OK tests/cases/cif_select_006.inp: OK tests/cases/cif_select_007.inp: OK tests/cases/cif_select_008.inp: OK tests/cases/cif_select_009.inp: OK tests/cases/cif_select_010.opt: OK tests/cases/cif_select_011.inp: OK tests/cases/cif_select_012.inp: OK tests/cases/cif_set_value_001.inp: OK tests/cases/cif_set_value_002.inp: OK tests/cases/cif_set_value_003.inp: OK tests/cases/cif_sort_atoms_001.inp: OK tests/cases/cif_sort_atoms_002.inp: OK tests/cases/cif_sort_atoms_003.inp: OK tests/cases/cif_split_001.inp: OK tests/cases/cif_split_002.inp: OK tests/cases/cif_split_003.inp: OK tests/cases/cif_split_004.inp: OK tests/cases/cif_split_005.inp: OK tests/cases/cif_tags_in_list_001.inp: OK tests/cases/cif_tcod_tree_001.inp: OK tests/cases/cif_tcod_tree_002.inp: OK tests/cases/cif_tcod_tree_003.inp: OK tests/cases/cif_tcod_tree_004.inp: OK tests/cases/cif_validate_001.inp: OK tests/cases/cif_validate_002.inp: OK tests/cases/cif_validate_003.inp: OK tests/cases/cif_validate_004.inp: OK tests/cases/cif_validate_005.inp: OK tests/cases/cif_validate_006.inp: OK tests/cases/cif_validate_007.inp: OK tests/cases/cif_validate_008.inp: OK tests/cases/cif_validate_009.inp: OK tests/cases/cif_validate_010.inp: OK tests/cases/cif_validate_011.inp: OK tests/cases/cif_validate_012.inp: OK tests/cases/cif_validate_013.inp: OK tests/cases/cif_validate_014.inp: OK tests/cases/cif_validate_015.inp: OK tests/cases/cif_validate_016.inp: OK tests/cases/cif_validate_017.inp: OK tests/cases/cif_validate_018.inp: OK tests/cases/cif_validate_019.inp: OK tests/cases/cif_validate_020.inp: OK tests/cases/cif_validate_021.inp: OK tests/cases/cif_validate_022.inp: OK tests/cases/cif_validate_023.inp: OK tests/cases/cif_validate_024.opt: OK tests/cases/cif_validate_025.inp: OK tests/cases/cif_validate_026.inp: OK tests/cases/cif_validate_027.inp: OK tests/cases/cif_validate_028.inp: OK tests/cases/cif_validate_029.inp: OK tests/cases/cif_validate_030.inp: OK tests/cases/cif_validate_031.inp: OK tests/cases/cif_validate_032.inp: OK tests/cases/cif_validate_033.inp: OK tests/cases/cif_validate_034.inp: OK tests/cases/cif_validate_035.inp: OK tests/cases/cif_validate_036.inp: OK tests/cases/cif_validate_037.inp: OK tests/cases/cif_validate_038.inp: OK tests/cases/cif_validate_039.inp: OK tests/cases/cif_validate_040.inp: OK tests/cases/cif_validate_041.inp: OK tests/cases/cif_validate_042.inp: OK tests/cases/cif_values_001.inp: OK tests/cases/cif_values_002.inp: OK tests/cases/cif_values_003.inp: OK tests/cases/cif_values_004.inp: OK tests/cases/cif_values_005.inp: OK tests/cases/cif_values_006.inp: OK tests/cases/cif_values_007.inp: OK tests/cases/cif_values_008.opt: OK tests/cases/cif_values_009.opt: OK tests/cases/cif_values_010.opt: OK tests/cases/cif_values_011.opt: OK tests/cases/cif_values_012.opt: OK tests/cases/cif_values_013.opt: OK tests/cases/cif_values_014.opt: OK tests/cases/cif_values_015.inp: OK tests/cases/cif_values_016.inp: OK tests/cases/cif_values_017.inp: OK tests/cases/cif_values_018.inp: OK tests/cases/cif_values_019.inp: OK tests/cases/cif_values_020.inp: OK tests/cases/cif_values_021.inp: OK tests/cases/cif_values_022.inp: OK tests/cases/cif_values_023.inp: OK tests/cases/cif_values_024.inp: OK tests/cases/cif_values_025.inp: OK tests/cases/cif_values_026.inp: OK tests/cases/cod2rdf_001.opt: OK tests/cases/cod2rdf_002.opt: OK tests/cases/cod2rdf_003.opt: OK tests/cases/cod2rdf_004.opt: OK tests/cases/cod2rdf_005.opt: OK tests/cases/cod2rdf_006.opt: OK tests/cases/cod2rdf_007.opt: OK tests/cases/cod2rdf_008.opt: OK tests/cases/cod2rdf_009.opt: OK tests/cases/cod2rdf_010.opt: OK tests/cases/cod2rdf_011.opt: OK tests/cases/cod2rdf_012.opt: OK tests/cases/cod2rdf_013.opt: OK tests/cases/cod2rdf_014.opt: OK tests/cases/cod2rdf_015.opt: OK tests/cases/cod2rdf_016.opt: OK tests/cases/cod2rdf_017.opt: OK tests/cases/cod2rdf_018.opt: OK tests/cases/cod2rdf_019.opt: OK tests/cases/cod2rdf_020.opt: OK tests/cases/cod2rdf_021.opt: OK tests/cases/cod2rdf_022.opt: OK tests/cases/cod2rdf_023.opt: OK tests/cases/cod2rdf_024.opt: OK tests/cases/cod2rdf_025.opt: OK tests/cases/cod2rdf_026.opt: OK tests/cases/cod2rdf_027.opt: OK tests/cases/cod_manage_related_001.inp: OK tests/cases/cod_manage_related_002.inp: OK tests/cases/cod_manage_related_003.inp: OK tests/cases/cod_manage_related_004.inp: OK tests/cases/cod_manage_related_005.inp: OK tests/cases/cod_manage_related_006.inp: OK tests/cases/cod_manage_related_007.inp: OK tests/cases/cod_manage_related_008.inp: OK tests/cases/cod_manage_related_009.inp: OK tests/cases/cod_manage_related_010.inp: OK tests/cases/cod_manage_related_011.inp: OK tests/cases/cod_manage_related_012.inp: OK tests/cases/cod_predeposition_check_001.opt: OK tests/cases/cod_predeposition_check_002.opt: OK tests/cases/cod_predeposition_check_003.opt: OK tests/cases/cod_predeposition_check_004.opt: FAILED: 1,2c1 < scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter. --- > scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter. tests/cases/cod_predeposition_check_005.opt: OK tests/cases/cod_predeposition_check_006.opt: OK tests/cases/cod_predeposition_check_007.opt: OK tests/cases/cod_predeposition_check_008.opt: OK tests/cases/cod_predeposition_check_009.opt: FAILED: 1,6c1 < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, data name '_chemical_name' is not recognised. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: NOTE, 2 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: WARNING, journals 'Zeitschrift fur Kristallographie' of data_quartz and 'Journal of Chemical Physics' of data_1011023 indicate that the data blocks belong to different COD number ranges -- please submit them as separate CIFs. --- > scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water.cif: WARNING, journals 'Zeitschrift fur Kristallographie' of data_quartz and 'Journal of Chemical Physics' of data_1011023 indicate that the data blocks belong to different COD number ranges -- please submit them as separate CIFs. tests/cases/cod_predeposition_check_010.opt: FAILED: 1,6c1 < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: NOTE, tag '_cod_database_code' value '1011023' will be overwritten upon deposition. --- > scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: NOTE, tag '_cod_database_code' value '1011023' will be overwritten upon deposition. 9d3 < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised. tests/cases/cod_predeposition_check_011.opt: FAILED: 1,6c1 < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: WARNING, author list in the data block data_quartz (Glinnemann J; King H E; Schulz H; Hahn T; La Placa S J; Dacol F) is not the same as in the data block data_1011023 (Bernal, J D; Fowler, R H) -- please make sure that all data are authored by the same people when depositing multiple data blocks. --- > scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_1011023: WARNING, author list in the data block data_quartz (Glinnemann J; King H E; Schulz H; Hahn T; La Placa S J; Dacol F) is not the same as in the data block data_1011023 (Bernal, J D; Fowler, R H) -- please make sure that all data are authored by the same people when depositing multiple data blocks. tests/cases/cod_predeposition_check_012.opt: FAILED: 1,6c1 < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+1/3', 'x-y,-y,-z+2/3', 'y,x,-z' are missing, although required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: NOTE, symmetry operations '-x,-x+y,-z+2/3', 'x-y,-y,-z', 'y,x,-z+1/3' are found, although not required by the space group 'P 31 2 1'. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: NOTE, 2 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: WARNING, file supplied for replacement should have only one data block. --- > scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif data_quartz: WARNING, the space group could not be estimated from the symmetry operators.scripts/cod_predeposition_check: tests/inputs/quartz-and-water-same-journal.cif: WARNING, file supplied for replacement should have only one data block. tests/cases/cod_predeposition_check_013.opt: FAILED: 1,2d0 < scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K). < scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered. tests/cases/cod_predeposition_check_014.opt: FAILED: 1,2d0 < scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K). < scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered. tests/cases/cod_predeposition_check_015.opt: FAILED: 1,2d0 < scripts/cod_predeposition_check: tests/inputs/8100760.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K). < scripts/cod_predeposition_check: tests/inputs/8100760.cif: NOTE, 1 WARNING(s) encountered. tests/cases/cod_predeposition_check_016.opt: FAILED: 2,4c2,39 < scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif: NOTE, 4 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 1 warning(s). --- > scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: NOTE, tag '_cod_database_code' value '1000055' will be overwritten upon deposition. > scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated. > scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1. > scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated. > scripts/cod_predeposition_check: tests/inputs/1000055-wrong-symops.cif data_1000055: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1. > CIF data_1000055 > CIF loop_ > CIF _publ_author_name > CIF 'Zavalij, P' > CIF _journal_name_full 'To be published' > CIF _chemical_formula_sum 'B6 La' > CIF _space_group_IT_number 1 > CIF _symmetry_cell_setting cubic > CIF _symmetry_equiv_pos_as_xyz x,y,z > CIF _symmetry_space_group_name_Hall 'P 1' > CIF _symmetry_space_group_name_H-M 'P 1' > CIF _cell_angle_alpha 90.0 > CIF _cell_angle_beta 90.0 > CIF _cell_angle_gamma 90.0 > CIF _cell_length_a 4.157597(17) > CIF _cell_length_b 4.157597 > CIF _cell_length_c 4.157597 > CIF _cell_volume 71.8666(3) > CIF _cod_data_source_file 1000055-wrong-symops.cif > CIF _cod_data_source_block 1000055 > CIF _cod_original_sg_symbol_H-M 'P m 3 m' > CIF _cod_database_code 1000055 > CIF loop_ > CIF _atom_site_label > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_occupancy > CIF _atom_site_thermal_displace_type > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_symmetry_multiplicity > CIF La .0 .0 .0 1.0 Uiso .00858(29) 1 > CIF B .5 .5 .2021(12) 1.0 Uiso .0090(11) 6 tests/cases/cod_predeposition_check_017.opt: FAILED: 1,4c1 < scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif data_2009397: WARNING, the space group could not be estimated from the symmetry operators. < CIF data_2009397 --- > scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/2009397-stray-values-at-start.cif data_2009397: WARNING, the space group could not be estimated from the symmetry operators.CIF data_2009397 tests/cases/cod_predeposition_check_018.opt: FAILED: 1,35c1,1969 < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): NOTE, single-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): NOTE, DOS EOF symbol ^Z was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 1 NOTE(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 2 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif: NOTE, 24 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 24 warning(s). < scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif data_X: NOTE, double-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: ERROR, file became empty after filtering with cif_filter. --- > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(1670) data_(5): WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif(2321) data_(6): WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(1): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(2): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(3): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(4): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(5): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/b008262g-missing-closing-quote.cif data_(6): WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif(2) data_X: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/missing-closing-double-quote.cif: ERROR, file became empty after filtering with cif_filter. > CIF data_(1) > CIF _chemical_formula_sum 'C6 H8 N2 O3' > CIF _chemical_formula_weight 156.14 > CIF _chemical_name_systematic > CIF ; > CIF 1,3-dimethylbarbituric acid > CIF ; > CIF _space_group_IT_number 43 > CIF _symmetry_cell_setting orthorhombic > CIF _symmetry_space_group_name_Hall 'F 2 -2d' > CIF _symmetry_space_group_name_H-M 'F d d 2' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 90.00 > CIF _cell_angle_beta 90.00 > CIF _cell_angle_gamma 90.00 > CIF _cell_formula_units_Z 16 > CIF _cell_length_a 15.642(3) > CIF _cell_length_b 29.006(6) > CIF _cell_length_c 6.5560(11) > CIF _cell_measurement_reflns_used 1708 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 27.83 > CIF _cell_measurement_theta_min 2.81 > CIF _cell_volume 2974.5(10) > CIF _computing_cell_refinement 'Denzo-SMN (Otwinowski & Minor, 1997)' > CIF _computing_data_collection 'Kappa CCD server software (Nonius, 1997)' > CIF _computing_data_reduction Denzo-SMN > CIF _computing_molecular_graphics 'ORTEP II (C.K. Johnson, 1976)' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997); PARST (Nardelli, 1983, 1995) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al., 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 0.995 > CIF _diffrn_measured_fraction_theta_max 0.995 > CIF _diffrn_measurement_device_type 'Nonius Kappa CCD' > CIF _diffrn_measurement_method '\f scans and \w scans with \k offsets' > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71070 > CIF _diffrn_reflns_av_R_equivalents 0.0263 > CIF _diffrn_reflns_av_sigmaI/netI 0.0453 > CIF _diffrn_reflns_limit_h_max 20 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 37 > CIF _diffrn_reflns_limit_k_min 0 > CIF _diffrn_reflns_limit_l_max 8 > CIF _diffrn_reflns_limit_l_min -8 > CIF _diffrn_reflns_number 1708 > CIF _diffrn_reflns_theta_full 27.83 > CIF _diffrn_reflns_theta_max 27.83 > CIF _diffrn_reflns_theta_min 2.81 > CIF _exptl_absorpt_coefficient_mu 0.113 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.395 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description needle > CIF _exptl_crystal_F_000 1312 > CIF _exptl_crystal_size_max 0.48 > CIF _exptl_crystal_size_mid 0.15 > CIF _exptl_crystal_size_min 0.12 > CIF _refine_diff_density_max 0.163 > CIF _refine_diff_density_min -0.137 > CIF _refine_diff_density_rms 0.035 > CIF _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' > CIF _refine_ls_abs_structure_Flack 0(3) > CIF _refine_ls_extinction_coef 0.0051(12) > CIF _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ > CIF _refine_ls_extinction_method SHELXL > CIF _refine_ls_goodness_of_fit_ref 1.045 > CIF _refine_ls_hydrogen_treatment mixed > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 110 > CIF _refine_ls_number_reflns 957 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.045 > CIF _refine_ls_R_factor_all 0.0809 > CIF _refine_ls_R_factor_gt 0.0461 > CIF _refine_ls_shift/su_max 0.005 > CIF _refine_ls_shift/su_mean 0.000 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0709P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1112 > CIF _refine_ls_wR_factor_ref 0.1257 > CIF _reflns_number_gt 628 > CIF _reflns_number_total 957 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (1) > CIF _cod_original_cell_volume 2974.5(9) > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, -y, z' > CIF '-x+1/4, y+1/4, z+1/4' > CIF 'x+1/4, -y+1/4, z+1/4' > CIF 'x, y+1/2, z+1/2' > CIF '-x, -y+1/2, z+1/2' > CIF '-x+1/4, y+3/4, z+3/4' > CIF 'x+1/4, -y+3/4, z+3/4' > CIF 'x+1/2, y, z+1/2' > CIF '-x+1/2, -y, z+1/2' > CIF '-x+3/4, y+1/4, z+3/4' > CIF 'x+3/4, -y+1/4, z+3/4' > CIF 'x+1/2, y+1/2, z' > CIF '-x+1/2, -y+1/2, z' > CIF '-x+3/4, y+3/4, z+1/4' > CIF 'x+3/4, -y+3/4, z+1/4' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF _atom_site_refinement_flags > CIF O1 O 0.34443(14) 0.17842(9) 0.4865(6) 0.0993(9) Uani 1 1 d . > CIF O2 O 0.64331(13) 0.16451(8) 0.4796(6) 0.0935(9) Uani 1 1 d . > CIF O3 O 0.49938(12) 0.22113(8) -0.0580 0.0853(8) Uani 1 1 d . > CIF N1 N 0.42045(12) 0.19609(7) 0.2051(5) 0.0612(7) Uani 1 1 d . > CIF N2 N 0.57148(13) 0.18856(7) 0.2021(5) 0.0583(6) Uani 1 1 d . > CIF C1 C 0.41323(16) 0.18015(9) 0.4021(6) 0.0633(8) Uani 1 1 d . > CIF C2 C 0.49270(17) 0.16483(13) 0.5043(6) 0.0681(8) Uani 1 1 d . > CIF H21 H 0.4984(16) 0.1776(11) 0.634(8) 0.081(10) Uiso 1 1 d . > CIF H22 H 0.4861(15) 0.1315(15) 0.528(6) 0.097(12) Uiso 1 1 d . > CIF C3 C 0.57522(16) 0.17251(8) 0.3979(5) 0.0599(8) Uani 1 1 d . > CIF C4 C 0.49722(15) 0.20284(9) 0.1067(6) 0.0568(7) Uani 1 1 d . > CIF C5 C 0.34280(18) 0.21019(13) 0.0968(8) 0.1005(13) Uani 1 1 d . > CIF H51 H 0.2940 0.1956 0.1578 0.121 Uiso 1 1 calc R > CIF H52 H 0.3469 0.2012 -0.0437 0.121 Uiso 1 1 calc R > CIF H53 H 0.3365 0.2431 0.1055 0.121 Uiso 1 1 calc R > CIF C6 C 0.65163(19) 0.19580(13) 0.0899(7) 0.0929(12) Uani 1 1 d . > CIF H61 H 0.6445 0.1860 -0.0490 0.111 Uiso 1 1 calc R > CIF H62 H 0.6965 0.1782 0.1525 0.111 Uiso 1 1 calc R > CIF H63 H 0.6663 0.2279 0.0929 0.111 Uiso 1 1 calc R > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O1 0.0609(14) 0.1205(18) 0.117(2) -0.0082(18) 0.0330(14) -0.0051(11) > CIF O2 0.0598(13) 0.1095(17) 0.111(2) 0.0307(17) -0.0237(13) -0.0005(11) > CIF O3 0.0970(16) 0.0994(15) 0.0597(14) 0.0130(13) -0.0064(11) -0.0044(11) > CIF N1 0.0434(12) 0.0647(12) 0.0754(17) 0.0032(14) -0.0072(11) -0.0008(8) > CIF N2 0.0441(12) 0.0686(12) 0.0621(14) 0.0011(12) 0.0093(10) 0.0052(9) > CIF C1 0.0502(15) 0.0662(15) 0.073(2) -0.0082(15) 0.0132(14) -0.0031(11) > CIF C2 0.0655(19) 0.080(2) 0.0589(18) 0.0068(17) 0.0058(15) -0.0057(14) > CIF C3 0.0487(14) 0.0608(14) 0.070(2) 0.0032(14) -0.0020(13) -0.0013(11) > CIF C4 0.0588(17) 0.0603(14) 0.0513(16) -0.0014(15) -0.0040(13) -0.0026(11) > CIF C5 0.0561(19) 0.104(2) 0.141(4) 0.025(3) -0.026(2) -0.0009(17) > CIF C6 0.0591(19) 0.114(3) 0.106(3) 0.010(2) 0.0314(18) 0.0055(17) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C1 N1 C4 124.0(2) > CIF C1 N1 C5 118.7(3) > CIF C4 N1 C5 117.2(3) > CIF C3 N2 C4 124.2(2) > CIF C3 N2 C6 118.9(3) > CIF C4 N2 C6 116.6(3) > CIF O1 C1 N1 121.0(3) > CIF O1 C1 C2 121.8(3) > CIF N1 C1 C2 117.2(2) > CIF C1 C2 C3 118.2(3) > CIF C1 C2 H21 112.0(18) > CIF C3 C2 H21 106.7(17) > CIF C1 C2 H22 106.0(16) > CIF C3 C2 H22 108.2(16) > CIF H21 C2 H22 105(3) > CIF O2 C3 N2 121.1(3) > CIF O2 C3 C2 121.7(3) > CIF N2 C3 C2 117.1(2) > CIF O3 C4 N1 120.5(2) > CIF O3 C4 N2 120.9(2) > CIF N1 C4 N2 118.6(2) > CIF N1 C5 H51 109.5 > CIF N1 C5 H52 109.5 > CIF H51 C5 H52 109.5 > CIF N1 C5 H53 109.5 > CIF H51 C5 H53 109.5 > CIF H52 C5 H53 109.5 > CIF N2 C6 H61 109.5 > CIF N2 C6 H62 109.5 > CIF H61 C6 H62 109.5 > CIF N2 C6 H63 109.5 > CIF H61 C6 H63 109.5 > CIF H62 C6 H63 109.5 > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O1 C1 1.211(3) > CIF O2 C3 1.215(3) > CIF O3 C4 1.204(4) > CIF N1 C1 1.376(4) > CIF N1 C4 1.377(3) > CIF N1 C5 1.465(4) > CIF N2 C3 1.366(4) > CIF N2 C4 1.383(3) > CIF N2 C6 1.469(3) > CIF C1 C2 1.481(4) > CIF C2 C3 1.484(4) > CIF C2 H21 0.93(5) > CIF C2 H22 0.98(4) > CIF C5 H51 0.9600 > CIF C5 H52 0.9600 > CIF C5 H53 0.9600 > CIF C6 H61 0.9600 > CIF C6 H62 0.9600 > CIF C6 H63 0.9600 > CIF data_(2) > CIF _chemical_formula_sum 'C12 H15 N5 O5' > CIF _chemical_formula_weight 309.29 > CIF _chemical_name_systematic > CIF ; > CIF 1,3-dimethylbarbituric acid . o-nitrophenylhydrazine > CIF ; > CIF _space_group_IT_number 2 > CIF _symmetry_cell_setting triclinic > CIF _symmetry_space_group_name_Hall '-P 1' > CIF _symmetry_space_group_name_H-M 'P -1' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 104.73(2) > CIF _cell_angle_beta 116.10(2) > CIF _cell_angle_gamma 73.34(2) > CIF _cell_formula_units_Z 2 > CIF _cell_length_a 8.181(2) > CIF _cell_length_b 12.891(2) > CIF _cell_length_c 7.758(2) > CIF _cell_measurement_reflns_used 25 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 14 > CIF _cell_measurement_theta_min 9 > CIF _cell_volume 696.0(3) > CIF _computing_cell_refinement 'CAD4 Enraf-Nonius, 1984' > CIF _computing_data_collection 'CAD4 Enraf-Nonius, 1984' > CIF _computing_data_reduction 'MolEN, C.K. Fair, Enraf-Nonius, 1990' > CIF _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al., 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 0.998 > CIF _diffrn_measured_fraction_theta_max 0.998 > CIF _diffrn_measurement_device_type 'Enraf-Nonius CAD4' > CIF _diffrn_measurement_method \w/2\q > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.013 > CIF _diffrn_reflns_av_sigmaI/netI 0.0333 > CIF _diffrn_reflns_limit_h_max 10 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 16 > CIF _diffrn_reflns_limit_k_min -15 > CIF _diffrn_reflns_limit_l_max 8 > CIF _diffrn_reflns_limit_l_min -9 > CIF _diffrn_reflns_number 3241 > CIF _diffrn_reflns_theta_full 26.98 > CIF _diffrn_reflns_theta_max 26.98 > CIF _diffrn_reflns_theta_min 2.83 > CIF _diffrn_standards_decay_% 0 > CIF _diffrn_standards_interval_time 120 > CIF _diffrn_standards_number 3 > CIF _exptl_absorpt_coefficient_mu 0.117 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour red > CIF _exptl_crystal_density_diffrn 1.476 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description irregular > CIF _exptl_crystal_F_000 324 > CIF _exptl_crystal_size_max 0.35 > CIF _exptl_crystal_size_mid 0.25 > CIF _exptl_crystal_size_min 0.20 > CIF _refine_diff_density_max 0.229 > CIF _refine_diff_density_min -0.239 > CIF _refine_diff_density_rms 0.046 > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.015 > CIF _refine_ls_hydrogen_treatment refall > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 259 > CIF _refine_ls_number_reflns 3026 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.015 > CIF _refine_ls_R_factor_all 0.0823 > CIF _refine_ls_R_factor_gt 0.0480 > CIF _refine_ls_shift/su_max 0.030 > CIF _refine_ls_shift/su_mean 0.004 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0784P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1215 > CIF _refine_ls_wR_factor_ref 0.1345 > CIF _reflns_number_gt 1947 > CIF _reflns_number_total 3026 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (2) > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, -y, -z' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF O1 O 0.2781(2) 0.54740(14) 0.3405(3) 0.0796(5) Uani 1 1 d > CIF O2 O 0.7991(2) 0.64795(14) 0.3842(3) 0.0713(5) Uani 1 1 d > CIF O3 O 0.3919(2) 0.88430(13) 0.6129(2) 0.0666(4) Uani 1 1 d > CIF N1 N 0.3345(2) 0.71460(13) 0.4789(2) 0.0457(4) Uani 1 1 d > CIF N2 N 0.5924(2) 0.76984(13) 0.4906(2) 0.0444(4) Uani 1 1 d > CIF C1 C 0.3689(3) 0.61484(17) 0.3753(3) 0.0500(5) Uani 1 1 d > CIF C2 C 0.5178(3) 0.59508(19) 0.3029(4) 0.0552(5) Uani 1 1 d > CIF C3 C 0.6504(3) 0.67064(16) 0.3963(3) 0.0472(5) Uani 1 1 d > CIF C4 C 0.4360(2) 0.79576(16) 0.5313(3) 0.0437(4) Uani 1 1 d > CIF C5 C 0.1777(4) 0.7418(3) 0.5384(5) 0.0673(7) Uani 1 1 d > CIF C6 C 0.7044(4) 0.8543(2) 0.5577(4) 0.0609(6) Uani 1 1 d > CIF O4 O 0.5048(2) 0.19205(16) -0.0609(3) 0.0771(5) Uani 1 1 d > CIF O5 O 0.4009(2) 0.34162(15) 0.0905(3) 0.0713(5) Uani 1 1 d > CIF N3 N 0.0813(3) 0.37355(15) 0.1142(3) 0.0556(5) Uani 1 1 d > CIF N4 N -0.0704(3) 0.42941(19) 0.1649(4) 0.0674(6) Uani 1 1 d > CIF N5 N 0.3865(2) 0.24842(16) -0.0004(2) 0.0545(4) Uani 1 1 d > CIF C7 C 0.0836(2) 0.27006(15) 0.0205(3) 0.0419(4) Uani 1 1 d > CIF C8 C 0.2291(3) 0.20606(16) -0.0355(3) 0.0458(4) Uani 1 1 d > CIF C9 C 0.2256(4) 0.09852(18) -0.1287(3) 0.0606(6) Uani 1 1 d > CIF C10 C 0.0791(4) 0.0533(2) -0.1718(4) 0.0726(7) Uani 1 1 d > CIF C11 C -0.0664(4) 0.11419(18) -0.1210(3) 0.0622(6) Uani 1 1 d > CIF C12 C -0.0654(3) 0.21847(18) -0.0275(3) 0.0502(5) Uani 1 1 d > CIF H21 H 0.578(3) 0.521(2) 0.303(3) 0.061(6) Uiso 1 1 d > CIF H22 H 0.454(4) 0.604(2) 0.163(5) 0.096(9) Uiso 1 1 d > CIF H30 H 0.175(4) 0.399(2) 0.153(4) 0.067(7) Uiso 1 1 d > CIF H410 H -0.113(5) 0.488(3) 0.124(5) 0.115(13) Uiso 1 1 d > CIF H420 H -0.031(5) 0.441(3) 0.293(5) 0.103(11) Uiso 1 1 d > CIF H51 H 0.083(6) 0.798(4) 0.486(6) 0.141(15) Uiso 1 1 d > CIF H52 H 0.219(5) 0.740(3) 0.676(6) 0.124(12) Uiso 1 1 d > CIF H53 H 0.133(8) 0.678(5) 0.493(9) 0.21(2) Uiso 1 1 d > CIF H61 H 0.669(5) 0.899(3) 0.471(5) 0.120(12) Uiso 1 1 d > CIF H62 H 0.718(6) 0.887(3) 0.685(6) 0.142(14) Uiso 1 1 d > CIF H63 H 0.827(6) 0.823(3) 0.612(5) 0.127(13) Uiso 1 1 d > CIF H9 H 0.325(3) 0.058(2) -0.164(3) 0.067(7) Uiso 1 1 d > CIF H10 H 0.078(4) -0.016(2) -0.231(4) 0.086(8) Uiso 1 1 d > CIF H11 H -0.172(4) 0.089(2) -0.148(4) 0.077(8) Uiso 1 1 d > CIF H12 H -0.163(3) 0.2615(19) 0.004(3) 0.061(7) Uiso 1 1 d > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O1 0.0767(11) 0.0714(11) 0.1067(14) -0.0162(9) 0.0493(10) -0.0430(9) > CIF O2 0.0503(8) 0.0755(11) 0.0982(12) -0.0016(9) 0.0471(9) -0.0113(7) > CIF O3 0.0667(10) 0.0576(9) 0.0826(11) -0.0164(8) 0.0470(9) -0.0176(7) > CIF N1 0.0360(8) 0.0572(10) 0.0502(9) 0.0015(7) 0.0228(7) -0.0146(7) > CIF N2 0.0394(8) 0.0506(9) 0.0502(9) 0.0035(7) 0.0225(7) -0.0148(7) > CIF C1 0.0432(10) 0.0522(12) 0.0564(12) -0.0014(9) 0.0220(9) -0.0170(9) > CIF C2 0.0576(12) 0.0443(12) 0.0718(15) -0.0030(10) 0.0388(12) -0.0107(10) > CIF C3 0.0430(10) 0.0510(11) 0.0544(11) 0.0067(9) 0.0276(9) -0.0067(8) > CIF C4 0.0415(9) 0.0470(11) 0.0434(10) 0.0007(8) 0.0198(8) -0.0108(8) > CIF C5 0.0470(12) 0.0880(19) 0.0813(18) 0.0014(15) 0.0406(13) -0.0195(13) > CIF C6 0.0613(14) 0.0642(15) 0.0684(16) 0.0012(12) 0.0278(12) -0.0330(12) > CIF O4 0.0600(9) 0.0971(13) 0.0867(12) 0.0101(10) 0.0492(9) -0.0044(9) > CIF O5 0.0619(9) 0.0761(11) 0.0860(11) -0.0118(9) 0.0407(9) -0.0308(8) > CIF N3 0.0482(10) 0.0493(10) 0.0744(12) -0.0069(8) 0.0343(9) -0.0148(8) > CIF N4 0.0573(12) 0.0575(13) 0.0924(17) -0.0035(12) 0.0450(12) -0.0068(10) > CIF N5 0.0482(9) 0.0688(12) 0.0535(10) 0.0116(9) 0.0262(8) -0.0098(8) > CIF C7 0.0417(9) 0.0436(10) 0.0432(10) 0.0078(8) 0.0191(8) -0.0080(8) > CIF C8 0.0477(10) 0.0500(11) 0.0447(10) 0.0081(8) 0.0234(8) -0.0077(8) > CIF C9 0.0752(15) 0.0516(13) 0.0643(14) 0.0017(10) 0.0418(12) -0.0094(11) > CIF C10 0.100(2) 0.0452(13) 0.0801(17) -0.0056(12) 0.0463(15) -0.0214(13) > CIF C11 0.0745(15) 0.0535(13) 0.0664(14) 0.0050(11) 0.0277(12) -0.0281(12) > CIF C12 0.0475(11) 0.0523(12) 0.0563(12) 0.0109(10) 0.0218(10) -0.0135(9) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C1 N1 C4 124.52(15) > CIF C1 N1 C5 119.04(18) > CIF C4 N1 C5 116.43(18) > CIF C3 N2 C4 124.19(16) > CIF C3 N2 C6 118.80(17) > CIF C4 N2 C6 116.99(18) > CIF O1 C1 N1 120.64(19) > CIF O1 C1 C2 122.4(2) > CIF N1 C1 C2 116.95(17) > CIF C3 C2 C1 116.69(19) > CIF C3 C2 H21 112.5(14) > CIF C1 C2 H21 109.3(14) > CIF C3 C2 H22 106.0(16) > CIF C1 C2 H22 106.9(15) > CIF H21 C2 H22 105(2) > CIF O2 C3 N2 121.31(19) > CIF O2 C3 C2 121.99(19) > CIF N2 C3 C2 116.64(16) > CIF O3 C4 N2 121.02(18) > CIF O3 C4 N1 121.20(17) > CIF N2 C4 N1 117.75(16) > CIF N1 C5 H51 117(3) > CIF N1 C5 H52 112(2) > CIF H51 C5 H52 117(3) > CIF N1 C5 H53 102(4) > CIF H51 C5 H53 108(4) > CIF H52 C5 H53 98(4) > CIF N2 C6 H61 113(2) > CIF N2 C6 H62 110(2) > CIF H61 C6 H62 117(3) > CIF N2 C6 H63 109(2) > CIF H61 C6 H63 119(3) > CIF H62 C6 H63 85(3) > CIF C7 N3 N4 119.18(18) > CIF C7 N3 H30 118.6(18) > CIF N4 N3 H30 121.6(18) > CIF N3 N4 H410 109(2) > CIF N3 N4 H420 109(2) > CIF H410 N4 H420 109(3) > CIF O4 N5 O5 121.03(19) > CIF O4 N5 C8 119.67(19) > CIF O5 N5 C8 119.31(16) > CIF N3 C7 C8 124.00(18) > CIF N3 C7 C12 120.27(18) > CIF C8 C7 C12 115.73(18) > CIF C9 C8 C7 121.42(19) > CIF C9 C8 N5 116.76(18) > CIF C7 C8 N5 121.82(18) > CIF C10 C9 C8 120.4(2) > CIF C10 C9 H9 120.0(15) > CIF C8 C9 H9 119.6(15) > CIF C9 C10 C11 119.6(2) > CIF C9 C10 H10 120.2(18) > CIF C11 C10 H10 120.2(18) > CIF C12 C11 C10 121.3(2) > CIF C12 C11 H11 114.2(17) > CIF C10 C11 H11 124.5(17) > CIF C11 C12 C7 121.5(2) > CIF C11 C12 H12 122.9(15) > CIF C7 C12 H12 115.5(15) > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O1 C1 1.206(2) > CIF O2 C3 1.208(2) > CIF O3 C4 1.196(2) > CIF N1 C1 1.358(3) > CIF N1 C4 1.391(2) > CIF N1 C5 1.470(3) > CIF N2 C3 1.370(2) > CIF N2 C4 1.381(2) > CIF N2 C6 1.469(3) > CIF C1 C2 1.488(3) > CIF C2 C3 1.485(3) > CIF C2 H21 0.94(2) > CIF C2 H22 1.00(3) > CIF C5 H51 0.91(4) > CIF C5 H52 0.97(4) > CIF C5 H53 0.92(6) > CIF C6 H61 0.89(3) > CIF C6 H62 0.94(4) > CIF C6 H63 0.91(4) > CIF O4 N5 1.228(2) > CIF O5 N5 1.238(2) > CIF N3 C7 1.347(3) > CIF N3 N4 1.409(3) > CIF N3 H30 0.82(3) > CIF N4 H410 0.82(3) > CIF N4 H420 0.88(3) > CIF N5 C8 1.432(3) > CIF C7 C8 1.412(3) > CIF C7 C12 1.417(3) > CIF C8 C9 1.393(3) > CIF C9 C10 1.355(4) > CIF C9 H9 0.95(3) > CIF C10 C11 1.381(4) > CIF C10 H10 0.90(3) > CIF C11 C12 1.356(3) > CIF C11 H11 0.93(3) > CIF C12 H12 0.92(2) > CIF data_(3) > CIF _chemical_formula_sum 'C12 H14 N4 O5' > CIF _chemical_formula_weight 294.27 > CIF _chemical_name_systematic > CIF ; > CIF 1,3-Dimethyibarbituric acid . p-nitroaniline > CIF ; > CIF _space_group_IT_number 14 > CIF _symmetry_cell_setting monoclinic > CIF _symmetry_space_group_name_Hall '-P 2ybc' > CIF _symmetry_space_group_name_H-M 'P 1 21/c 1' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 90.00 > CIF _cell_angle_beta 97.10(2) > CIF _cell_angle_gamma 90.00 > CIF _cell_formula_units_Z 4 > CIF _cell_length_a 7.586(2) > CIF _cell_length_b 16.547(2) > CIF _cell_length_c 10.856(2) > CIF _cell_measurement_reflns_used 25 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 13 > CIF _cell_measurement_theta_min 8 > CIF _cell_volume 1352.3(5) > CIF _computing_cell_refinement 'CAD4, Enraf-Nonius, 1984' > CIF _computing_data_collection 'CAD4, Enraf-Nonius, 1984' > CIF _computing_data_reduction 'MolEN, C.K. Fair, Enraf-Nonius, 1990' > CIF _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1985) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al., 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 0.999 > CIF _diffrn_measured_fraction_theta_max 0.999 > CIF _diffrn_measurement_device_type 'Enraf-Nonius CAD4' > CIF _diffrn_measurement_method \w/2\q > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.017 > CIF _diffrn_reflns_av_sigmaI/netI 0.0315 > CIF _diffrn_reflns_limit_h_max 9 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 21 > CIF _diffrn_reflns_limit_k_min 0 > CIF _diffrn_reflns_limit_l_max 13 > CIF _diffrn_reflns_limit_l_min -13 > CIF _diffrn_reflns_number 3102 > CIF _diffrn_reflns_theta_full 26.99 > CIF _diffrn_reflns_theta_max 26.99 > CIF _diffrn_reflns_theta_min 2.26 > CIF _diffrn_standards_decay_% 0 > CIF _diffrn_standards_interval_time 120 > CIF _diffrn_standards_number 3 > CIF _exptl_absorpt_coefficient_mu 0.115 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour red > CIF _exptl_crystal_density_diffrn 1.445 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description prismatic > CIF _exptl_crystal_F_000 616 > CIF _exptl_crystal_size_max 0.52 > CIF _exptl_crystal_size_mid 0.21 > CIF _exptl_crystal_size_min 0.14 > CIF _refine_diff_density_max 0.203 > CIF _refine_diff_density_min -0.174 > CIF _refine_diff_density_rms 0.039 > CIF _refine_ls_extinction_coef 0.0032(12) > CIF _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ > CIF _refine_ls_extinction_method SHELXL > CIF _refine_ls_goodness_of_fit_ref 1.048 > CIF _refine_ls_hydrogen_treatment refall > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 247 > CIF _refine_ls_number_reflns 2943 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.048 > CIF _refine_ls_R_factor_all 0.0971 > CIF _refine_ls_R_factor_gt 0.0526 > CIF _refine_ls_shift/su_max 0.030 > CIF _refine_ls_shift/su_mean 0.005 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0751P)^2^+0.0920P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1301 > CIF _refine_ls_wR_factor_ref 0.1469 > CIF _reflns_number_gt 1759 > CIF _reflns_number_total 2943 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (3) > CIF _cod_original_sg_symbol_H-M 'P 21 / c' > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, y+1/2, -z+1/2' > CIF '-x, -y, -z' > CIF 'x, -y-1/2, z-1/2' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF O1 O -0.1955(3) 0.24075(12) -0.51403(17) 0.0874(6) Uani 1 1 d > CIF O2 O -0.0949(3) 0.50077(10) -0.35680(17) 0.0796(6) Uani 1 1 d > CIF O3 O 0.1314(2) 0.28283(11) -0.14507(16) 0.0782(6) Uani 1 1 d > CIF N1 N -0.0303(2) 0.26034(10) -0.32984(16) 0.0528(5) Uani 1 1 d > CIF N2 N 0.0153(2) 0.39228(10) -0.24810(15) 0.0507(4) Uani 1 1 d > CIF C1 C -0.1239(3) 0.28724(13) -0.4382(2) 0.0538(6) Uani 1 1 d > CIF C2 C -0.1298(4) 0.37502(15) -0.4585(2) 0.0587(6) Uani 1 1 d > CIF C3 C -0.0713(3) 0.42886(13) -0.3525(2) 0.0524(5) Uani 1 1 d > CIF C4 C 0.0444(3) 0.31018(13) -0.23617(19) 0.0506(5) Uani 1 1 d > CIF C5 C -0.0153(6) 0.17269(16) -0.3086(4) 0.0823(9) Uani 1 1 d > CIF C6 C 0.0792(5) 0.4435(2) -0.1414(3) 0.0824(9) Uani 1 1 d > CIF O4 O 0.4621(3) -0.07589(11) 0.2220(2) 0.1060(7) Uani 1 1 d > CIF O5 O 0.6274(3) -0.02321(12) 0.3772(2) 0.1025(7) Uani 1 1 d > CIF N3 N 0.3974(3) 0.28824(13) 0.0771(2) 0.0676(6) Uani 1 1 d > CIF N4 N 0.5311(3) -0.01658(12) 0.2778(2) 0.0749(6) Uani 1 1 d > CIF C7 C 0.4323(3) 0.21424(12) 0.12459(19) 0.0491(5) Uani 1 1 d > CIF C8 C 0.3705(3) 0.14455(13) 0.0591(2) 0.0545(6) Uani 1 1 d > CIF C9 C 0.4023(3) 0.06996(14) 0.1088(2) 0.0578(6) Uani 1 1 d > CIF C10 C 0.4993(3) 0.06201(12) 0.2249(2) 0.0540(5) Uani 1 1 d > CIF C11 C 0.5638(3) 0.12951(14) 0.2909(2) 0.0552(6) Uani 1 1 d > CIF C12 C 0.5318(3) 0.20434(12) 0.2412(2) 0.0525(5) Uani 1 1 d > CIF H21 H -0.058(3) 0.3876(15) -0.519(2) 0.076(8) Uiso 1 1 d > CIF H22 H -0.241(4) 0.3886(18) -0.498(3) 0.092(9) Uiso 1 1 d > CIF H31 H 0.337(4) 0.2910(16) 0.011(3) 0.081(9) Uiso 1 1 d > CIF H32 H 0.441(4) 0.330(2) 0.123(3) 0.094(10) Uiso 1 1 d > CIF H51 H -0.091(6) 0.158(3) -0.267(4) 0.155(19) Uiso 1 1 d > CIF H52 H -0.020(6) 0.144(3) -0.382(4) 0.170(18) Uiso 1 1 d > CIF H53 H 0.095(7) 0.160(3) -0.265(5) 0.19(2) Uiso 1 1 d > CIF H61 H 0.175(6) 0.426(3) -0.104(4) 0.143(16) Uiso 1 1 d > CIF H62 H 0.004(6) 0.465(3) -0.106(5) 0.20(2) Uiso 1 1 d > CIF H63 H 0.135(9) 0.495(4) -0.184(6) 0.26(3) Uiso 1 1 d > CIF H8 H 0.315(3) 0.1463(14) -0.021(2) 0.067(7) Uiso 1 1 d > CIF H9 H 0.352(3) 0.0244(18) 0.066(3) 0.088(8) Uiso 1 1 d > CIF H11 H 0.624(3) 0.1233(14) 0.367(2) 0.064(7) Uiso 1 1 d > CIF H12 H 0.574(3) 0.2501(15) 0.287(2) 0.053(6) Uiso 1 1 d > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O1 0.0941(13) 0.0808(13) 0.0804(12) -0.0275(10) -0.0174(10) -0.0100(10) > CIF O2 0.1048(14) 0.0433(9) 0.0905(13) 0.0080(8) 0.0106(10) 0.0042(9) > CIF O3 0.0850(12) 0.0819(13) 0.0617(10) 0.0128(8) -0.0154(9) 0.0130(9) > CIF N1 0.0603(11) 0.0394(9) 0.0578(10) 0.0017(8) 0.0041(9) 0.0004(8) > CIF N2 0.0546(10) 0.0465(10) 0.0490(9) -0.0050(8) -0.0009(7) -0.0018(8) > CIF C1 0.0501(12) 0.0581(13) 0.0515(12) -0.0078(10) -0.0009(10) -0.0021(10) > CIF C2 0.0624(15) 0.0611(14) 0.0491(13) 0.0072(10) -0.0074(11) 0.0010(11) > CIF C3 0.0559(12) 0.0449(12) 0.0567(13) 0.0048(9) 0.0077(10) -0.0016(9) > CIF C4 0.0474(12) 0.0559(12) 0.0472(11) 0.0049(10) 0.0006(9) 0.0026(9) > CIF C5 0.112(3) 0.0418(15) 0.094(2) 0.0076(14) 0.015(2) 0.0052(15) > CIF C6 0.089(2) 0.085(2) 0.0689(18) -0.0301(16) -0.0066(16) -0.0085(18) > CIF O4 0.1325(19) 0.0451(11) 0.1333(18) 0.0038(11) -0.0123(14) -0.0116(11) > CIF O5 0.1348(19) 0.0724(13) 0.0920(14) 0.0273(11) -0.0185(13) 0.0118(12) > CIF N3 0.0807(15) 0.0471(12) 0.0696(14) 0.0018(10) -0.0128(12) 0.0055(10) > CIF N4 0.0849(15) 0.0514(13) 0.0868(16) 0.0090(11) 0.0043(12) 0.0046(11) > CIF C7 0.0454(11) 0.0463(12) 0.0539(12) -0.0035(9) -0.0014(9) 0.0023(8) > CIF C8 0.0534(12) 0.0549(14) 0.0514(12) -0.0083(10) -0.0083(10) 0.0015(9) > CIF C9 0.0594(13) 0.0448(12) 0.0658(14) -0.0110(10) -0.0051(11) -0.0041(10) > CIF C10 0.0561(12) 0.0423(11) 0.0622(13) 0.0012(9) 0.0013(10) 0.0020(9) > CIF C11 0.0586(13) 0.0550(13) 0.0484(12) -0.0028(10) -0.0079(10) 0.0024(10) > CIF C12 0.0547(12) 0.0427(12) 0.0561(12) -0.0101(9) -0.0087(10) -0.0015(9) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C1 N1 C4 124.19(18) > CIF C1 N1 C5 118.5(2) > CIF C4 N1 C5 117.3(2) > CIF C3 N2 C4 124.36(17) > CIF C3 N2 C6 118.2(2) > CIF C4 N2 C6 117.4(2) > CIF O1 C1 N1 121.4(2) > CIF O1 C1 C2 121.7(2) > CIF N1 C1 C2 116.93(18) > CIF C1 C2 C3 118.53(19) > CIF C1 C2 H21 108.6(16) > CIF C3 C2 H21 105.7(15) > CIF C1 C2 H22 108.6(18) > CIF C3 C2 H22 112.6(18) > CIF H21 C2 H22 101(2) > CIF O2 C3 N2 121.4(2) > CIF O2 C3 C2 122.4(2) > CIF N2 C3 C2 116.24(19) > CIF O3 C4 N1 121.0(2) > CIF O3 C4 N2 120.7(2) > CIF N1 C4 N2 118.31(17) > CIF N1 C5 H51 110(3) > CIF N1 C5 H52 112(3) > CIF H51 C5 H52 112(4) > CIF N1 C5 H53 111(3) > CIF H51 C5 H53 107(4) > CIF H52 C5 H53 105(4) > CIF N2 C6 H61 112(3) > CIF N2 C6 H62 117(4) > CIF H61 C6 H62 123(4) > CIF N2 C6 H63 103(4) > CIF H61 C6 H63 97(4) > CIF H62 C6 H63 101(5) > CIF C7 N3 H31 117(2) > CIF C7 N3 H32 116.6(19) > CIF H31 N3 H32 126(3) > CIF O5 N4 O4 121.9(2) > CIF O5 N4 C10 119.0(2) > CIF O4 N4 C10 119.0(2) > CIF N3 C7 C12 120.8(2) > CIF N3 C7 C8 121.1(2) > CIF C12 C7 C8 118.04(19) > CIF C9 C8 C7 121.0(2) > CIF C9 C8 H8 116.2(15) > CIF C7 C8 H8 122.6(15) > CIF C8 C9 C10 119.8(2) > CIF C8 C9 H9 119.4(17) > CIF C10 C9 H9 120.7(17) > CIF C11 C10 C9 120.6(2) > CIF C11 C10 N4 119.7(2) > CIF C9 C10 N4 119.7(2) > CIF C12 C11 C10 119.6(2) > CIF C12 C11 H11 120.9(15) > CIF C10 C11 H11 119.4(15) > CIF C11 C12 C7 120.99(19) > CIF C11 C12 H12 119.5(13) > CIF C7 C12 H12 119.5(13) > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O1 C1 1.206(3) > CIF O2 C3 1.203(3) > CIF O3 C4 1.207(2) > CIF N1 C1 1.371(3) > CIF N1 C4 1.376(3) > CIF N1 C5 1.471(3) > CIF N2 C3 1.378(3) > CIF N2 C4 1.380(3) > CIF N2 C6 1.468(3) > CIF C1 C2 1.469(3) > CIF C2 C3 1.480(3) > CIF C2 H21 0.93(3) > CIF C2 H22 0.93(3) > CIF C5 H51 0.81(4) > CIF C5 H52 0.92(5) > CIF C5 H53 0.93(6) > CIF C6 H61 0.84(4) > CIF C6 H62 0.81(5) > CIF C6 H63 1.09(7) > CIF O4 N4 1.235(3) > CIF O5 N4 1.231(3) > CIF N3 C7 1.342(3) > CIF N3 H31 0.81(3) > CIF N3 H32 0.89(3) > CIF N4 C10 1.430(3) > CIF C7 C12 1.401(3) > CIF C7 C8 1.404(3) > CIF C8 C9 1.356(3) > CIF C8 H8 0.92(2) > CIF C9 C10 1.386(3) > CIF C9 H9 0.94(3) > CIF C10 C11 1.384(3) > CIF C11 C12 1.361(3) > CIF C11 H11 0.90(2) > CIF C12 H12 0.94(2) > CIF data_(4) > CIF _chemical_formula_sum 'C30 H34 N14 O6' > CIF _chemical_formula_weight 686.71 > CIF _chemical_name_systematic > CIF ; > CIF 1,3-dimethylbarbituric acid . 2,6-diamino-4-phenyl-1,3,5-triazine > CIF ; > CIF _space_group_IT_number 14 > CIF _symmetry_cell_setting monoclinic > CIF _symmetry_space_group_name_Hall '-P 2ybc' > CIF _symmetry_space_group_name_H-M 'P 1 21/c 1' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 90.00 > CIF _cell_angle_beta 90.530(10) > CIF _cell_angle_gamma 90.00 > CIF _cell_formula_units_Z 4 > CIF _cell_length_a 11.2230(10) > CIF _cell_length_b 7.226(2) > CIF _cell_length_c 40.737(5) > CIF _cell_measurement_reflns_used 25 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 13 > CIF _cell_measurement_theta_min 9 > CIF _cell_volume 3303.5(10) > CIF _computing_cell_refinement 'CAD4 Enraf nonius, 1984' > CIF _computing_data_collection 'CAD4 Enraf Nonius, 1984' > CIF _computing_data_reduction 'MolEN, C.K. Fair, Enraf-Nonius, 1990' > CIF _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al., 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 0.992 > CIF _diffrn_measured_fraction_theta_max 0.992 > CIF _diffrn_measurement_device_type 'Enraf Nonius CAD-4' > CIF _diffrn_measurement_method \w/2\q > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.019 > CIF _diffrn_reflns_av_sigmaI/netI 0.0586 > CIF _diffrn_reflns_limit_h_max 13 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 8 > CIF _diffrn_reflns_limit_k_min 0 > CIF _diffrn_reflns_limit_l_max 50 > CIF _diffrn_reflns_limit_l_min -50 > CIF _diffrn_reflns_number 7135 > CIF _diffrn_reflns_theta_full 26.00 > CIF _diffrn_reflns_theta_max 26.00 > CIF _diffrn_reflns_theta_min 2.00 > CIF _diffrn_standards_decay_% 0 > CIF _diffrn_standards_interval_time 120 > CIF _diffrn_standards_number 3 > CIF _exptl_absorpt_coefficient_mu 0.101 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.381 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description needle > CIF _exptl_crystal_F_000 1440 > CIF _exptl_crystal_size_max 0.54 > CIF _exptl_crystal_size_mid 0.19 > CIF _exptl_crystal_size_min 0.12 > CIF _refine_diff_density_max 0.607 > CIF _refine_diff_density_min -0.264 > CIF _refine_diff_density_rms 0.053 > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.071 > CIF _refine_ls_hydrogen_treatment mixed > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 535 > CIF _refine_ls_number_reflns 6435 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.071 > CIF _refine_ls_R_factor_all 0.1286 > CIF _refine_ls_R_factor_gt 0.0657 > CIF _refine_ls_shift/su_max 0.030 > CIF _refine_ls_shift/su_mean 0.005 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.1057P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1721 > CIF _refine_ls_wR_factor_ref 0.2031 > CIF _reflns_number_gt 3539 > CIF _reflns_number_total 6435 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (4) > CIF _cod_original_sg_symbol_H-M 'P 21 / c' > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, y+1/2, -z+1/2' > CIF '-x, -y, -z' > CIF 'x, -y-1/2, z-1/2' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF _atom_site_refinement_flags > CIF O11 O 0.3397(2) 0.1558(5) 0.00577(7) 0.0772(8) Uani 1 1 d . > CIF O21 O -0.0345(3) 0.1272(4) -0.04585(7) 0.0781(8) Uani 1 1 d . > CIF O31 O 0.3035(3) 0.0477(5) -0.10277(6) 0.0871(10) Uani 1 1 d . > CIF N11 N 0.3226(3) 0.0890(4) -0.04780(7) 0.0599(8) Uani 1 1 d . > CIF N21 N 0.1333(3) 0.0747(4) -0.07400(7) 0.0551(7) Uani 1 1 d . > CIF C11 C 0.2758(3) 0.1284(5) -0.01741(9) 0.0557(9) Uani 1 1 d . > CIF C21 C 0.1449(3) 0.1324(7) -0.01519(10) 0.0562(9) Uani 1 1 d . > CIF C31 C 0.0724(3) 0.1137(5) -0.04569(9) 0.0545(9) Uani 1 1 d . > CIF C41 C 0.2561(4) 0.0699(5) -0.07638(10) 0.0610(10) Uani 1 1 d . > CIF C51 C 0.4526(4) 0.0735(8) -0.05133(12) 0.0887(15) Uani 1 1 d . > CIF H511 H 0.4885 0.0523 -0.0302 0.106 Uiso 1 1 calc R > CIF H512 H 0.4834 0.1860 -0.0605 0.106 Uiso 1 1 calc R > CIF H513 H 0.4707 -0.0280 -0.0656 0.106 Uiso 1 1 calc R > CIF C61 C 0.0653(4) 0.0465(6) -0.10458(9) 0.0705(11) Uani 1 1 d . > CIF H613 H 0.0834 -0.0732 -0.1135 0.085 Uiso 1 1 calc R > CIF H614 H 0.0863 0.1404 -0.1202 0.085 Uiso 1 1 calc R > CIF H615 H -0.0184 0.0539 -0.1001 0.085 Uiso 1 1 calc R > CIF O12 O 0.4606(3) 0.5135(6) 0.10755(9) 0.1002(11) Uani 1 1 d . > CIF O22 O 0.7660(3) 0.6694(6) 0.17958(7) 0.1013(12) Uani 1 1 d . > CIF O32 O 0.4606(3) 1.0624(5) 0.16034(10) 0.1122(13) Uani 1 1 d . > CIF N12 N 0.4521(3) 0.7818(5) 0.13633(8) 0.0656(9) Uani 1 1 d . > CIF N22 N 0.6133(3) 0.8672(5) 0.17170(8) 0.0705(10) Uani 1 1 d . > CIF C12 C 0.5019(4) 0.6124(7) 0.12897(11) 0.0681(11) Uani 1 1 d . > CIF C22 C 0.6062(4) 0.5603(6) 0.14848(10) 0.0704(11) Uani 1 1 d . > CIF H221 H 0.5818 0.4636 0.1635 0.084 Uiso 1 1 calc R > CIF H222 H 0.6635 0.5055 0.1337 0.084 Uiso 1 1 calc R > CIF C32 C 0.6679(3) 0.6982(7) 0.16741(9) 0.0687(12) Uani 1 1 d . > CIF C42 C 0.5058(4) 0.9147(7) 0.15635(10) 0.0684(11) Uani 1 1 d . > CIF C52 C 0.3404(4) 0.8348(9) 0.11932(12) 0.0979(17) Uani 1 1 d . > CIF H521 H 0.3143 0.7349 0.1055 0.118 Uiso 1 1 calc R > CIF H522 H 0.3540 0.9429 0.1062 0.118 Uiso 1 1 calc R > CIF H523 H 0.2802 0.8609 0.1353 0.118 Uiso 1 1 calc R > CIF C62 C 0.6763(6) 1.0074(11) 0.19001(18) 0.148(3) Uani 1 1 d . > CIF H623 H 0.6208 1.0982 0.1977 0.177 Uiso 1 1 calc R > CIF H625 H 0.7337 1.0659 0.1761 0.177 Uiso 1 1 calc R > CIF H624 H 0.7164 0.9515 0.2084 0.177 Uiso 1 1 calc R > CIF N31 N 0.0455(2) 0.3607(4) 0.06109(6) 0.0476(7) Uani 1 1 d . > CIF N41 N -0.0819(2) 0.4729(4) 0.10297(6) 0.0429(6) Uani 1 1 d . > CIF N51 N 0.1258(2) 0.4368(4) 0.11380(6) 0.0469(7) Uani 1 1 d . > CIF N61 N 0.2448(3) 0.3234(6) 0.07314(9) 0.0715(10) Uani 1 1 d . > CIF N71 N 0.0004(3) 0.5519(4) 0.15269(7) 0.0502(7) Uani 1 1 d . > CIF C71 C -0.0599(3) 0.4108(4) 0.07302(8) 0.0419(7) Uani 1 1 d . > CIF C81 C 0.1353(3) 0.3778(5) 0.08323(8) 0.0478(8) Uani 1 1 d . > CIF C91 C 0.0155(3) 0.4850(4) 0.12243(7) 0.0414(7) Uani 1 1 d . > CIF C101 C -0.1635(3) 0.3961(4) 0.04993(7) 0.0424(7) Uani 1 1 d . > CIF C111 C -0.1486(3) 0.3603(5) 0.01723(8) 0.0525(9) Uani 1 1 d . > CIF C121 C -0.2451(4) 0.3458(6) -0.00424(10) 0.0639(10) Uani 1 1 d . > CIF C131 C -0.3579(4) 0.3677(6) 0.00824(12) 0.0744(13) Uani 1 1 d . > CIF C141 C -0.3754(4) 0.4035(7) 0.04073(11) 0.0772(13) Uani 1 1 d . > CIF C151 C -0.2786(3) 0.4193(6) 0.06157(11) 0.0659(10) Uani 1 1 d . > CIF N32 N 0.2328(2) 0.6526(3) 0.19194(6) 0.0374(6) Uani 1 1 d . > CIF N42 N 0.3509(2) 0.8007(3) 0.23263(6) 0.0396(6) Uani 1 1 d . > CIF N52 N 0.4093(2) 0.5047(3) 0.21203(6) 0.0419(6) Uani 1 1 d . > CIF N62 N 0.2966(3) 0.3762(4) 0.17143(8) 0.0504(7) Uani 1 1 d . > CIF N72 N 0.5208(3) 0.6548(5) 0.25070(8) 0.0527(8) Uani 1 1 d . > CIF C72 C 0.2572(2) 0.7908(4) 0.21264(7) 0.0342(6) Uani 1 1 d . > CIF C82 C 0.3133(2) 0.5127(4) 0.19262(7) 0.0354(7) Uani 1 1 d . > CIF C92 C 0.4251(3) 0.6529(4) 0.23169(7) 0.0382(7) Uani 1 1 d . > CIF C102 C 0.1720(2) 0.9480(4) 0.21364(7) 0.0359(7) Uani 1 1 d . > CIF C112 C 0.0929(3) 0.9781(5) 0.18770(8) 0.0446(8) Uani 1 1 d . > CIF C122 C 0.0131(3) 1.1236(5) 0.18853(9) 0.0566(9) Uani 1 1 d . > CIF C132 C 0.0106(4) 1.2388(5) 0.21537(9) 0.0605(10) Uani 1 1 d . > CIF C142 C 0.0881(3) 1.2105(5) 0.24138(10) 0.0567(9) Uani 1 1 d . > CIF C152 C 0.1690(3) 1.0661(5) 0.24030(8) 0.0434(7) Uani 1 1 d . > CIF H211 H 0.125(3) 0.230(5) -0.0046(8) 0.044(9) Uiso 1 1 d . > CIF H212 H 0.122(4) 0.044(6) -0.0003(10) 0.069(12) Uiso 1 1 d . > CIF H611 H 0.315(3) 0.362(5) 0.0874(9) 0.061(10) Uiso 1 1 d . > CIF H612 H 0.260(4) 0.258(7) 0.0514(13) 0.109(16) Uiso 1 1 d . > CIF H711 H -0.077(4) 0.587(5) 0.1586(8) 0.058(10) Uiso 1 1 d . > CIF H712 H 0.063(3) 0.561(5) 0.1667(8) 0.054(10) Uiso 1 1 d . > CIF H111 H -0.067(4) 0.348(5) 0.0111(9) 0.068(11) Uiso 1 1 d . > CIF H121 H -0.227(4) 0.330(6) -0.0286(11) 0.089(14) Uiso 1 1 d . > CIF H131 H -0.419(4) 0.348(6) -0.0064(11) 0.080(12) Uiso 1 1 d . > CIF H141 H -0.461(4) 0.415(6) 0.0478(9) 0.077(12) Uiso 1 1 d . > CIF H151 H -0.285(3) 0.455(5) 0.0863(10) 0.062(10) Uiso 1 1 d . > CIF H621 H 0.343(3) 0.287(6) 0.1716(9) 0.068(13) Uiso 1 1 d . > CIF H622 H 0.237(4) 0.372(6) 0.1570(10) 0.072(12) Uiso 1 1 d . > CIF H721 H 0.527(3) 0.734(5) 0.2631(9) 0.047(11) Uiso 1 1 d . > CIF H722 H 0.566(4) 0.554(6) 0.2530(9) 0.066(12) Uiso 1 1 d . > CIF H112 H 0.094(3) 0.894(5) 0.1708(9) 0.060(11) Uiso 1 1 d . > CIF H122 H -0.045(3) 1.138(5) 0.1663(9) 0.074(11) Uiso 1 1 d . > CIF H132 H -0.053(3) 1.329(6) 0.2177(9) 0.065(11) Uiso 1 1 d . > CIF H142 H 0.092(3) 1.279(6) 0.2590(10) 0.068(12) Uiso 1 1 d . > CIF H152 H 0.217(2) 1.058(4) 0.2584(7) 0.030(7) Uiso 1 1 d . > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O11 0.0728(18) 0.100(2) 0.0584(16) -0.0161(16) -0.0092(14) -0.0043(16) > CIF O21 0.0631(19) 0.092(2) 0.080(2) -0.0029(16) 0.0007(14) 0.0070(16) > CIF O31 0.091(2) 0.124(3) 0.0470(15) -0.0010(17) 0.0231(14) 0.0021(19) > CIF N11 0.0551(18) 0.067(2) 0.0576(18) 0.0057(15) 0.0070(14) -0.0044(15) > CIF N21 0.067(2) 0.0465(17) 0.0521(17) 0.0033(14) -0.0007(14) -0.0009(14) > CIF C11 0.063(2) 0.050(2) 0.055(2) -0.0037(18) 0.0020(18) -0.0036(17) > CIF C21 0.064(2) 0.051(2) 0.054(2) -0.004(2) 0.0073(18) 0.0088(19) > CIF C31 0.060(2) 0.038(2) 0.066(2) 0.0053(17) 0.0036(18) 0.0007(16) > CIF C41 0.066(2) 0.056(2) 0.061(2) 0.0090(19) 0.0066(19) -0.0046(19) > CIF C51 0.061(3) 0.128(4) 0.077(3) 0.003(3) 0.015(2) -0.012(3) > CIF C61 0.097(3) 0.066(3) 0.048(2) 0.002(2) -0.015(2) 0.000(2) > CIF O12 0.073(2) 0.127(3) 0.101(2) -0.021(2) 0.0071(18) -0.0131(19) > CIF O22 0.0636(18) 0.175(4) 0.0658(18) -0.005(2) -0.0039(14) 0.048(2) > CIF O32 0.109(3) 0.099(3) 0.128(3) -0.011(2) 0.017(2) 0.054(2) > CIF N12 0.0453(17) 0.091(3) 0.0608(19) 0.0218(19) 0.0091(14) 0.0131(18) > CIF N22 0.0590(19) 0.102(3) 0.0510(18) -0.0095(18) 0.0061(15) 0.015(2) > CIF C12 0.054(2) 0.087(3) 0.063(2) 0.006(2) 0.0160(19) 0.003(2) > CIF C22 0.070(3) 0.079(3) 0.063(2) 0.005(2) 0.012(2) 0.021(2) > CIF C32 0.053(2) 0.102(3) 0.052(2) 0.007(2) 0.0141(18) 0.028(2) > CIF C42 0.059(2) 0.080(3) 0.067(3) 0.006(2) 0.022(2) 0.017(2) > CIF C52 0.053(2) 0.147(5) 0.094(3) 0.041(3) 0.002(2) 0.018(3) > CIF C62 0.104(5) 0.180(7) 0.159(6) -0.068(6) -0.006(4) 0.010(5) > CIF N31 0.0436(15) 0.0516(17) 0.0475(15) -0.0111(13) -0.0068(12) 0.0032(13) > CIF N41 0.0449(15) 0.0409(15) 0.0428(15) -0.0036(12) -0.0050(11) 0.0051(12) > CIF N51 0.0469(15) 0.0496(16) 0.0441(15) -0.0112(13) -0.0080(12) 0.0076(13) > CIF N61 0.0442(17) 0.111(3) 0.0589(19) -0.024(2) -0.0051(15) 0.0153(18) > CIF N71 0.0484(17) 0.0524(18) 0.0494(17) -0.0076(14) -0.0092(14) 0.0126(14) > CIF C71 0.0429(17) 0.0325(16) 0.0501(19) -0.0003(14) -0.0091(14) 0.0024(13) > CIF C81 0.0449(18) 0.054(2) 0.0447(18) -0.0075(16) -0.0057(14) 0.0049(15) > CIF C91 0.0449(18) 0.0371(17) 0.0421(17) -0.0019(14) -0.0073(14) 0.0055(14) > CIF C101 0.0486(18) 0.0370(17) 0.0414(17) -0.0044(14) -0.0093(14) 0.0028(14) > CIF C111 0.055(2) 0.053(2) 0.049(2) -0.0082(16) -0.0114(17) 0.0072(17) > CIF C121 0.071(3) 0.068(3) 0.053(2) -0.016(2) -0.0219(19) 0.013(2) > CIF C131 0.063(3) 0.074(3) 0.086(3) -0.013(2) -0.035(2) 0.017(2) > CIF C141 0.050(2) 0.117(4) 0.064(3) -0.016(3) -0.0124(19) 0.016(2) > CIF C151 0.050(2) 0.082(3) 0.065(2) -0.011(2) -0.0069(18) 0.007(2) > CIF N32 0.0375(13) 0.0344(14) 0.0404(13) -0.0070(11) -0.0046(10) 0.0039(11) > CIF N42 0.0410(14) 0.0320(13) 0.0456(14) -0.0039(12) -0.0113(11) 0.0009(11) > CIF N52 0.0381(14) 0.0345(14) 0.0529(15) -0.0021(12) -0.0099(12) 0.0053(11) > CIF N62 0.0483(17) 0.0443(18) 0.0584(18) -0.0167(14) -0.0145(14) 0.0112(14) > CIF N72 0.0527(19) 0.0383(17) 0.067(2) -0.0134(16) -0.0254(15) 0.0078(14) > CIF C72 0.0357(15) 0.0315(15) 0.0355(15) 0.0057(13) -0.0008(12) -0.0022(12) > CIF C82 0.0359(15) 0.0339(16) 0.0363(15) 0.0014(13) -0.0032(12) -0.0015(13) > CIF C92 0.0398(16) 0.0316(16) 0.0431(17) 0.0005(13) -0.0068(14) -0.0013(13) > CIF C102 0.0348(15) 0.0305(15) 0.0423(16) 0.0018(13) 0.0014(12) 0.0003(12) > CIF C112 0.0482(19) 0.0385(18) 0.0470(18) -0.0011(16) -0.0045(15) 0.0101(15) > CIF C122 0.059(2) 0.051(2) 0.060(2) -0.0028(18) -0.0091(17) 0.0136(17) > CIF C132 0.067(2) 0.052(2) 0.063(2) -0.0005(18) 0.0011(19) 0.0230(19) > CIF C142 0.067(2) 0.048(2) 0.055(2) -0.0127(19) 0.0082(18) 0.0113(18) > CIF C152 0.0436(17) 0.0450(19) 0.0416(18) -0.0045(15) -0.0038(14) 0.0004(15) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C11 N11 C41 124.7(3) > CIF C11 N11 C51 119.3(3) > CIF C41 N11 C51 116.0(3) > CIF C31 N21 C41 124.6(3) > CIF C31 N21 C61 118.7(3) > CIF C41 N21 C61 116.6(3) > CIF O11 C11 N11 120.8(4) > CIF O11 C11 C21 122.6(4) > CIF N11 C11 C21 116.6(3) > CIF C11 C21 C31 119.1(3) > CIF C11 C21 H211 108(2) > CIF C31 C21 H211 111(2) > CIF C11 C21 H212 108(2) > CIF C31 C21 H212 110(2) > CIF H211 C21 H212 99(3) > CIF O21 C31 N21 121.0(4) > CIF O21 C31 C21 122.4(4) > CIF N21 C31 C21 116.6(3) > CIF O31 C41 N21 120.7(4) > CIF O31 C41 N11 121.4(4) > CIF N21 C41 N11 117.9(3) > CIF N11 C51 H511 109.5 > CIF N11 C51 H512 109.5 > CIF H511 C51 H512 109.5 > CIF N11 C51 H513 109.5 > CIF H511 C51 H513 109.5 > CIF H512 C51 H513 109.5 > CIF N21 C61 H613 109.5 > CIF N21 C61 H614 109.5 > CIF H613 C61 H614 109.5 > CIF N21 C61 H615 109.5 > CIF H613 C61 H615 109.5 > CIF H614 C61 H615 109.5 > CIF C12 N12 C42 124.4(3) > CIF C12 N12 C52 118.1(4) > CIF C42 N12 C52 117.2(4) > CIF C32 N22 C42 123.0(4) > CIF C32 N22 C62 118.2(4) > CIF C42 N22 C62 118.5(4) > CIF O12 C12 N12 121.7(4) > CIF O12 C12 C22 122.5(4) > CIF N12 C12 C22 115.8(4) > CIF C32 C22 C12 119.6(4) > CIF C32 C22 H221 107.4 > CIF C12 C22 H221 107.4 > CIF C32 C22 H222 107.4 > CIF C12 C22 H222 107.4 > CIF H221 C22 H222 106.9 > CIF O22 C32 N22 119.9(5) > CIF O22 C32 C22 121.9(4) > CIF N22 C32 C22 118.1(4) > CIF O32 C42 N12 120.9(4) > CIF O32 C42 N22 121.7(5) > CIF N12 C42 N22 117.4(4) > CIF N12 C52 H521 109.5 > CIF N12 C52 H522 109.5 > CIF H521 C52 H522 109.5 > CIF N12 C52 H523 109.5 > CIF H521 C52 H523 109.5 > CIF H522 C52 H523 109.5 > CIF N22 C62 H623 109.5 > CIF N22 C62 H625 109.5 > CIF H623 C62 H625 109.5 > CIF N22 C62 H624 109.5 > CIF H623 C62 H624 109.5 > CIF H625 C62 H624 109.5 > CIF C71 N31 C81 113.0(3) > CIF C71 N41 C91 114.0(3) > CIF C81 N51 C91 114.5(3) > CIF C81 N61 H611 117(2) > CIF C81 N61 H612 124(3) > CIF H611 N61 H612 119(3) > CIF C91 N71 H711 117(2) > CIF C91 N71 H712 120(2) > CIF H711 N71 H712 122(3) > CIF N41 C71 N31 127.0(3) > CIF N41 C71 C101 116.9(3) > CIF N31 C71 C101 116.1(3) > CIF N51 C81 N31 126.3(3) > CIF N51 C81 N61 117.4(3) > CIF N31 C81 N61 116.3(3) > CIF N71 C91 N51 117.5(3) > CIF N71 C91 N41 117.2(3) > CIF N51 C91 N41 125.2(3) > CIF C111 C101 C151 118.5(3) > CIF C111 C101 C71 121.7(3) > CIF C151 C101 C71 119.8(3) > CIF C101 C111 C121 121.7(4) > CIF C101 C111 H111 113(2) > CIF C121 C111 H111 125(2) > CIF C131 C121 C111 118.2(4) > CIF C131 C121 H121 124(2) > CIF C111 C121 H121 118(2) > CIF C141 C131 C121 121.4(4) > CIF C141 C131 H131 123(3) > CIF C121 C131 H131 115(3) > CIF C131 C141 C151 119.6(4) > CIF C131 C141 H141 116(2) > CIF C151 C141 H141 124(2) > CIF C141 C151 C101 120.6(4) > CIF C141 C151 H151 124(2) > CIF C101 C151 H151 116(2) > CIF C72 N32 C82 114.4(2) > CIF C72 N42 C92 115.1(2) > CIF C82 N52 C92 114.8(2) > CIF C82 N62 H621 119(3) > CIF C82 N62 H622 124(3) > CIF H621 N62 H622 117(4) > CIF C92 N72 H721 117(3) > CIF C92 N72 H722 121(2) > CIF H721 N72 H722 120(4) > CIF N42 C72 N32 125.8(3) > CIF N42 C72 C102 116.7(3) > CIF N32 C72 C102 117.5(2) > CIF N62 C82 N52 117.6(3) > CIF N62 C82 N32 116.9(3) > CIF N52 C82 N32 125.4(3) > CIF N72 C92 N52 117.3(3) > CIF N72 C92 N42 118.2(3) > CIF N52 C92 N42 124.5(2) > CIF C152 C102 C112 118.7(3) > CIF C152 C102 C72 120.9(3) > CIF C112 C102 C72 120.3(3) > CIF C122 C112 C102 120.6(3) > CIF C122 C112 H112 122(2) > CIF C102 C112 H112 117(2) > CIF C132 C122 C112 119.9(3) > CIF C132 C122 H122 125(2) > CIF C112 C122 H122 115(2) > CIF C122 C132 C142 120.2(3) > CIF C122 C132 H132 120(2) > CIF C142 C132 H132 119(2) > CIF C132 C142 C152 119.8(4) > CIF C132 C142 H142 125(3) > CIF C152 C142 H142 115(3) > CIF C102 C152 C142 120.7(3) > CIF C102 C152 H152 125.4(18) > CIF C142 C152 H152 113.9(18) > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O11 C11 1.197(4) > CIF O21 C31 1.204(4) > CIF O31 C41 1.214(4) > CIF N11 C11 1.379(5) > CIF N11 C41 1.384(5) > CIF N11 C51 1.471(5) > CIF N21 C31 1.375(5) > CIF N21 C41 1.382(5) > CIF N21 C61 1.470(5) > CIF C11 C21 1.473(5) > CIF C21 C31 1.485(5) > CIF C21 H211 0.86(4) > CIF C21 H212 0.92(4) > CIF C51 H511 0.9600 > CIF C51 H512 0.9600 > CIF C51 H513 0.9600 > CIF C61 H613 0.9600 > CIF C61 H614 0.9600 > CIF C61 H615 0.9600 > CIF O12 C12 1.216(5) > CIF O22 C32 1.221(5) > CIF O32 C42 1.193(5) > CIF N12 C12 1.380(5) > CIF N12 C42 1.394(6) > CIF N12 C52 1.477(5) > CIF N22 C32 1.378(5) > CIF N22 C42 1.397(5) > CIF N22 C62 1.440(7) > CIF C12 C22 1.459(6) > CIF C22 C32 1.434(6) > CIF C22 H221 0.9700 > CIF C22 H222 0.9700 > CIF C52 H521 0.9600 > CIF C52 H522 0.9600 > CIF C52 H523 0.9600 > CIF C62 H623 0.9600 > CIF C62 H625 0.9600 > CIF C62 H624 0.9600 > CIF N31 C71 1.333(4) > CIF N31 C81 1.351(4) > CIF N41 C71 1.325(4) > CIF N41 C91 1.347(4) > CIF N51 C81 1.322(4) > CIF N51 C91 1.337(4) > CIF N61 C81 1.357(4) > CIF N61 H611 1.01(4) > CIF N61 H612 1.02(5) > CIF N71 C91 1.336(4) > CIF N71 H711 0.94(4) > CIF N71 H712 0.90(4) > CIF C71 C101 1.493(4) > CIF C101 C111 1.369(5) > CIF C101 C151 1.390(5) > CIF C111 C121 1.390(5) > CIF C111 H111 0.95(4) > CIF C121 C131 1.377(6) > CIF C121 H121 1.02(4) > CIF C131 C141 1.365(6) > CIF C131 H131 0.92(4) > CIF C141 C151 1.377(5) > CIF C141 H141 1.01(4) > CIF C151 H151 1.04(4) > CIF N32 C72 1.334(4) > CIF N32 C82 1.356(4) > CIF N42 C72 1.326(4) > CIF N42 C92 1.355(4) > CIF N52 C82 1.332(4) > CIF N52 C92 1.348(4) > CIF N62 C82 1.323(4) > CIF N62 H621 0.83(4) > CIF N62 H622 0.89(4) > CIF N72 C92 1.318(4) > CIF N72 H721 0.76(4) > CIF N72 H722 0.89(4) > CIF C72 C102 1.486(4) > CIF C102 C152 1.382(4) > CIF C102 C112 1.391(4) > CIF C112 C122 1.381(5) > CIF C112 H112 0.92(4) > CIF C122 C132 1.374(5) > CIF C122 H122 1.12(4) > CIF C132 C142 1.380(5) > CIF C132 H132 0.97(4) > CIF C142 C152 1.384(5) > CIF C142 H142 0.87(4) > CIF C152 H152 0.91(3) > CIF data_(5) > CIF _chemical_formula_sum 'C11 H15 N5 O3' > CIF _chemical_formula_weight 265.28 > CIF _chemical_name_systematic > CIF ; > CIF 1,3-dimethylbarbituric acid . 2,6-diaminopyridine > CIF ; > CIF _space_group_IT_number 2 > CIF _symmetry_cell_setting triclinic > CIF _symmetry_space_group_name_Hall '-P 1' > CIF _symmetry_space_group_name_H-M 'P -1' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 91.28(2) > CIF _cell_angle_beta 109.460(10) > CIF _cell_angle_gamma 94.01(2) > CIF _cell_formula_units_Z 2 > CIF _cell_length_a 7.2620(10) > CIF _cell_length_b 9.466(3) > CIF _cell_length_c 9.8390(10) > CIF _cell_measurement_reflns_used 25 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 13 > CIF _cell_measurement_theta_min 8 > CIF _cell_volume 635.4(2) > CIF _computing_cell_refinement 'CAD4, Enraf-Nonius, 1984' > CIF _computing_data_collection 'CAD4, Enraf-Nonius, 1984' > CIF _computing_data_reduction 'MolEN, C.K. Fair, Enraf-Nonius, 1990' > CIF _computing_molecular_graphics 'ORTEPII (Johnson, 1976) ' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997), PARST (Nardelli, 1983, 1995) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al, 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 1.000 > CIF _diffrn_measured_fraction_theta_max 1.000 > CIF _diffrn_measurement_device_type 'Enraf-Nonius CAD-4' > CIF _diffrn_measurement_method \w/2\q > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.012 > CIF _diffrn_reflns_av_sigmaI/netI 0.0228 > CIF _diffrn_reflns_limit_h_max 9 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 12 > CIF _diffrn_reflns_limit_k_min -12 > CIF _diffrn_reflns_limit_l_max 11 > CIF _diffrn_reflns_limit_l_min -12 > CIF _diffrn_reflns_number 2988 > CIF _diffrn_reflns_theta_full 26.97 > CIF _diffrn_reflns_theta_max 26.97 > CIF _diffrn_reflns_theta_min 2.16 > CIF _diffrn_standards_decay_% 0 > CIF _diffrn_standards_interval_time 120 > CIF _diffrn_standards_number 3 > CIF _exptl_absorpt_coefficient_mu 0.104 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour brown > CIF _exptl_crystal_density_diffrn 1.387 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description prismatic > CIF _exptl_crystal_F_000 280 > CIF _exptl_crystal_size_max 0.45 > CIF _exptl_crystal_size_mid 0.30 > CIF _exptl_crystal_size_min 0.18 > CIF _refine_diff_density_max 0.201 > CIF _refine_diff_density_min -0.216 > CIF _refine_diff_density_rms 0.041 > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.053 > CIF _refine_ls_hydrogen_treatment refall > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 232 > CIF _refine_ls_number_reflns 2765 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.053 > CIF _refine_ls_R_factor_all 0.0605 > CIF _refine_ls_R_factor_gt 0.0407 > CIF _refine_ls_shift/su_max 0.002 > CIF _refine_ls_shift/su_mean 0.000 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0626P)^2^+0.0824P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1044 > CIF _refine_ls_wR_factor_ref 0.1158 > CIF _reflns_number_gt 2079 > CIF _reflns_number_total 2765 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (5) > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, -y, -z' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF O1 O 0.14252(18) 0.00112(12) -0.26976(11) 0.0506(3) Uani 1 1 d > CIF O2 O 0.43096(17) -0.25684(12) 0.13818(12) 0.0483(3) Uani 1 1 d > CIF O3 O 0.26422(18) 0.18991(12) 0.18283(12) 0.0475(3) Uani 1 1 d > CIF N1 N 0.19328(17) 0.09282(12) -0.04325(13) 0.0344(3) Uani 1 1 d > CIF N2 N 0.33280(17) -0.03699(13) 0.15956(12) 0.0340(3) Uani 1 1 d > CIF C1 C 0.2046(2) -0.01804(15) -0.13717(14) 0.0342(3) Uani 1 1 d > CIF C2 C 0.2844(2) -0.13891(16) -0.07378(15) 0.0361(3) Uani 1 1 d > CIF C3 C 0.3532(2) -0.15166(14) 0.07396(15) 0.0330(3) Uani 1 1 d > CIF C4 C 0.2639(2) 0.08737(15) 0.10404(15) 0.0335(3) Uani 1 1 d > CIF C5 C 0.1164(3) 0.22534(19) -0.1012(2) 0.0469(4) Uani 1 1 d > CIF N3 N 0.68715(18) -0.37209(13) 0.36877(13) 0.0336(3) Uani 1 1 d > CIF N4 N 0.4873(2) -0.54378(16) 0.20834(16) 0.0504(4) Uani 1 1 d > CIF N5 N 0.8830(2) -0.18403(15) 0.50463(16) 0.0470(4) Uani 1 1 d > CIF C6 C 0.4014(3) -0.0436(2) 0.31662(17) 0.0490(4) Uani 1 1 d > CIF C7 C 0.6118(2) -0.50944(15) 0.34185(16) 0.0371(3) Uani 1 1 d > CIF C8 C 0.6692(3) -0.60226(18) 0.4521(2) 0.0460(4) Uani 1 1 d > CIF C9 C 0.7966(3) -0.54993(19) 0.5844(2) 0.0484(4) Uani 1 1 d > CIF C10 C 0.8725(2) -0.41152(18) 0.60941(17) 0.0424(4) Uani 1 1 d > CIF C11 C 0.8182(2) -0.31985(16) 0.49732(15) 0.0350(3) Uani 1 1 d > CIF H2 H 0.297(2) -0.2155(19) -0.1326(18) 0.040(4) Uiso 1 1 d > CIF H51 H 0.226(3) 0.297(2) -0.097(2) 0.070(6) Uiso 1 1 d > CIF H52 H 0.035(3) 0.261(2) -0.050(2) 0.068(6) Uiso 1 1 d > CIF H53 H 0.040(3) 0.206(2) -0.200(2) 0.065(6) Uiso 1 1 d > CIF H61 H 0.386(4) -0.147(3) 0.342(3) 0.090(8) Uiso 1 1 d > CIF H62 H 0.316(4) 0.010(3) 0.356(3) 0.093(8) Uiso 1 1 d > CIF H63 H 0.532(4) -0.004(3) 0.355(3) 0.089(8) Uiso 1 1 d > CIF H30 H 0.633(2) -0.3108(18) 0.2982(19) 0.044(5) Uiso 1 1 d > CIF H410 H 0.436(3) -0.469(2) 0.153(2) 0.062(6) Uiso 1 1 d > CIF H420 H 0.419(3) -0.628(2) 0.194(2) 0.061(6) Uiso 1 1 d > CIF H510 H 0.863(3) -0.131(2) 0.423(2) 0.061(6) Uiso 1 1 d > CIF H520 H 0.969(3) -0.146(2) 0.589(2) 0.064(6) Uiso 1 1 d > CIF H8 H 0.615(3) -0.702(2) 0.434(2) 0.069(6) Uiso 1 1 d > CIF H9 H 0.836(3) -0.613(2) 0.664(2) 0.058(5) Uiso 1 1 d > CIF H10 H 0.961(3) -0.374(2) 0.702(2) 0.055(5) Uiso 1 1 d > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O1 0.0636(8) 0.0496(7) 0.0264(5) 0.0042(5) 0.0014(5) -0.0092(6) > CIF O2 0.0558(7) 0.0346(6) 0.0430(6) 0.0045(5) 0.0007(5) 0.0071(5) > CIF O3 0.0607(7) 0.0347(6) 0.0472(7) -0.0076(5) 0.0197(5) -0.0013(5) > CIF N1 0.0352(6) 0.0305(6) 0.0339(6) 0.0050(5) 0.0074(5) -0.0003(5) > CIF N2 0.0379(6) 0.0339(6) 0.0259(6) 0.0011(5) 0.0061(5) -0.0017(5) > CIF C1 0.0332(7) 0.0360(8) 0.0272(7) 0.0010(6) 0.0042(5) -0.0080(6) > CIF C2 0.0385(8) 0.0339(8) 0.0311(7) -0.0050(6) 0.0071(6) -0.0036(6) > CIF C3 0.0314(7) 0.0291(7) 0.0329(7) 0.0005(5) 0.0043(6) -0.0034(5) > CIF C4 0.0331(7) 0.0302(7) 0.0346(7) -0.0002(6) 0.0099(6) -0.0052(6) > CIF C5 0.0487(10) 0.0393(9) 0.0512(10) 0.0148(7) 0.0133(8) 0.0074(7) > CIF N3 0.0396(7) 0.0287(6) 0.0308(6) 0.0030(5) 0.0095(5) 0.0019(5) > CIF N4 0.0619(9) 0.0325(8) 0.0486(8) -0.0050(6) 0.0104(7) -0.0075(7) > CIF N5 0.0589(9) 0.0378(7) 0.0329(7) 0.0004(6) 0.0025(6) -0.0069(6) > CIF C6 0.0615(12) 0.0540(11) 0.0272(8) 0.0026(7) 0.0089(8) 0.0049(9) > CIF C7 0.0412(8) 0.0304(7) 0.0428(8) -0.0007(6) 0.0183(6) 0.0027(6) > CIF C8 0.0526(10) 0.0315(8) 0.0578(10) 0.0108(7) 0.0224(8) 0.0069(7) > CIF C9 0.0518(10) 0.0474(10) 0.0515(10) 0.0221(8) 0.0209(8) 0.0167(8) > CIF C10 0.0433(9) 0.0491(9) 0.0335(8) 0.0093(7) 0.0096(7) 0.0104(7) > CIF C11 0.0369(7) 0.0374(8) 0.0311(7) 0.0010(6) 0.0115(6) 0.0041(6) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C4 N1 C1 123.12(12) > CIF C4 N1 C5 116.73(13) > CIF C1 N1 C5 120.00(13) > CIF C4 N2 C3 123.07(12) > CIF C4 N2 C6 116.91(13) > CIF C3 N2 C6 119.85(13) > CIF O1 C1 C2 125.87(14) > CIF O1 C1 N1 117.52(13) > CIF C2 C1 N1 116.62(12) > CIF C3 C2 C1 122.69(14) > CIF C3 C2 H2 117.7(10) > CIF C1 C2 H2 119.6(10) > CIF O2 C3 C2 125.80(14) > CIF O2 C3 N2 117.29(13) > CIF C2 C3 N2 116.91(13) > CIF O3 C4 N2 121.38(13) > CIF O3 C4 N1 121.36(14) > CIF N2 C4 N1 117.26(12) > CIF N1 C5 H51 110.1(13) > CIF N1 C5 H52 110.7(13) > CIF H51 C5 H52 111.5(18) > CIF N1 C5 H53 107.6(13) > CIF H51 C5 H53 107.4(18) > CIF H52 C5 H53 109.4(18) > CIF C7 N3 C11 124.13(13) > CIF C7 N3 H30 116.0(11) > CIF C11 N3 H30 119.5(11) > CIF C7 N4 H410 116.1(13) > CIF C7 N4 H420 117.1(13) > CIF H410 N4 H420 120.4(18) > CIF C11 N5 H510 122.6(12) > CIF C11 N5 H520 118.6(13) > CIF H510 N5 H520 117.8(19) > CIF N2 C6 H61 108.4(14) > CIF N2 C6 H62 109.2(14) > CIF H61 C6 H62 107(2) > CIF N2 C6 H63 109.2(15) > CIF H61 C6 H63 113(2) > CIF H62 C6 H63 110(2) > CIF N4 C7 N3 116.43(14) > CIF N4 C7 C8 125.26(15) > CIF N3 C7 C8 118.31(15) > CIF C9 C8 C7 118.26(16) > CIF C9 C8 H8 122.5(12) > CIF C7 C8 H8 119.2(12) > CIF C10 C9 C8 122.69(15) > CIF C10 C9 H9 117.6(12) > CIF C8 C9 H9 119.7(11) > CIF C9 C10 C11 118.72(16) > CIF C9 C10 H10 123.2(12) > CIF C11 C10 H10 118.0(12) > CIF N5 C11 N3 116.73(14) > CIF N5 C11 C10 125.45(15) > CIF N3 C11 C10 117.82(14) > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O1 C1 1.2522(17) > CIF O2 C3 1.2565(18) > CIF O3 C4 1.2280(18) > CIF N1 C4 1.3702(18) > CIF N1 C1 1.4075(19) > CIF N1 C5 1.459(2) > CIF N2 C4 1.3651(19) > CIF N2 C3 1.4050(19) > CIF N2 C6 1.4614(19) > CIF C1 C2 1.385(2) > CIF C2 C3 1.382(2) > CIF C2 H2 0.946(17) > CIF C5 H51 1.00(2) > CIF C5 H52 0.97(2) > CIF C5 H53 0.95(2) > CIF N3 C7 1.3596(19) > CIF N3 C11 1.3616(18) > CIF N3 H30 0.918(18) > CIF N4 C7 1.341(2) > CIF N4 H410 0.93(2) > CIF N4 H420 0.89(2) > CIF N5 C11 1.330(2) > CIF N5 H510 0.93(2) > CIF N5 H520 0.90(2) > CIF C6 H61 1.02(3) > CIF C6 H62 0.99(3) > CIF C6 H63 0.94(3) > CIF C7 C8 1.384(2) > CIF C8 C9 1.379(3) > CIF C8 H8 0.98(2) > CIF C9 C10 1.369(3) > CIF C9 H9 0.97(2) > CIF C10 C11 1.388(2) > CIF C10 H10 0.96(2) > CIF data_(6) > CIF _chemical_formula_sum 'C17 H20 N6 O7' > CIF _chemical_formula_weight 420.39 > CIF _chemical_name_systematic > CIF ; > CIF 5'-hydroxy-5,5'-bi-(1,3-dimethylbarbituric acid). > CIF 4-aminopyridine > CIF ; > CIF _space_group_IT_number 2 > CIF _symmetry_cell_setting triclinic > CIF _symmetry_space_group_name_Hall '-P 1' > CIF _symmetry_space_group_name_H-M 'P -1' > CIF _atom_sites_solution_hydrogens difmap > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 107.720(10) > CIF _cell_angle_beta 109.660(10) > CIF _cell_angle_gamma 66.160(10) > CIF _cell_formula_units_Z 2 > CIF _cell_length_a 10.111(2) > CIF _cell_length_b 11.747(2) > CIF _cell_length_c 9.369(2) > CIF _cell_measurement_reflns_used 25 > CIF _cell_measurement_temperature 293(2) > CIF _cell_measurement_theta_max 13 > CIF _cell_measurement_theta_min 9 > CIF _cell_volume 940.0(3) > CIF _computing_cell_refinement 'CAD4 Enraf-Nonius, 1984' > CIF _computing_data_collection 'CAD4 Enraf-Nonius, 1984' > CIF _computing_data_reduction 'MolEN, C.K. Fair, Enraf-Nonius, 1990' > CIF _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' > CIF _computing_publication_material > CIF ; > CIF SHELXL-97 (Sheldrick, 1997), Nardelli( 1983, 1995) > CIF ; > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SIR92 (Altomare et al., 1994)' > CIF _diffrn_ambient_temperature 293(2) > CIF _diffrn_measured_fraction_theta_full 0.999 > CIF _diffrn_measured_fraction_theta_max 0.999 > CIF _diffrn_measurement_device_type 'Enraf-Nonius CAD4' > CIF _diffrn_measurement_method \w/2\q > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'fine-focus sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.009 > CIF _diffrn_reflns_av_sigmaI/netI 0.0150 > CIF _diffrn_reflns_limit_h_max 13 > CIF _diffrn_reflns_limit_h_min 0 > CIF _diffrn_reflns_limit_k_max 15 > CIF _diffrn_reflns_limit_k_min -13 > CIF _diffrn_reflns_limit_l_max 11 > CIF _diffrn_reflns_limit_l_min -12 > CIF _diffrn_reflns_number 4782 > CIF _diffrn_reflns_theta_full 27.97 > CIF _diffrn_reflns_theta_max 27.97 > CIF _diffrn_reflns_theta_min 2.27 > CIF _diffrn_standards_decay_% 0 > CIF _diffrn_standards_interval_time 120 > CIF _diffrn_standards_number 3 > CIF _exptl_absorpt_coefficient_mu 0.118 > CIF _exptl_absorpt_correction_type none > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.485 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description prismatic > CIF _exptl_crystal_F_000 440 > CIF _exptl_crystal_size_max 0.55 > CIF _exptl_crystal_size_mid 0.45 > CIF _exptl_crystal_size_min 0.20 > CIF _refine_diff_density_max 0.256 > CIF _refine_diff_density_min -0.244 > CIF _refine_diff_density_rms 0.060 > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.043 > CIF _refine_ls_hydrogen_treatment refall > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 351 > CIF _refine_ls_number_reflns 4524 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.043 > CIF _refine_ls_R_factor_all 0.0478 > CIF _refine_ls_R_factor_gt 0.0402 > CIF _refine_ls_shift/su_max 0.025 > CIF _refine_ls_shift/su_mean 0.002 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0667P)^2^+0.1839P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1119 > CIF _refine_ls_wR_factor_ref 0.1160 > CIF _reflns_number_gt 3840 > CIF _reflns_number_total 4524 > CIF _reflns_threshold_expression I>2sigma(I) > CIF _cod_data_source_file b008262g-missing-closing-quote.cif > CIF _cod_data_source_block (6) > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, -y, -z' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF O11 O 0.11819(11) -0.39409(9) 0.10553(11) 0.0429(2) Uani 1 1 d > CIF O21 O 0.30223(10) -0.08601(8) 0.47127(10) 0.0359(2) Uani 1 1 d > CIF O31 O 0.36601(14) -0.45324(10) 0.59570(13) 0.0550(3) Uani 1 1 d > CIF N11 N 0.23580(13) -0.42005(9) 0.35316(13) 0.0381(2) Uani 1 1 d > CIF N21 N 0.33669(11) -0.27079(9) 0.53322(12) 0.0330(2) Uani 1 1 d > CIF C11 C 0.17839(13) -0.34681(10) 0.23919(14) 0.0314(2) Uani 1 1 d > CIF C21 C 0.19051(12) -0.22561(10) 0.28425(13) 0.0281(2) Uani 1 1 d > CIF C31 C 0.27535(12) -0.18787(10) 0.43004(13) 0.0276(2) Uani 1 1 d > CIF C41 C 0.31603(14) -0.38587(11) 0.49962(15) 0.0368(3) Uani 1 1 d > CIF C51 C 0.2051(3) -0.53918(16) 0.3153(3) 0.0635(5) Uani 1 1 d > CIF C61 C 0.4173(2) -0.22838(18) 0.68921(18) 0.0507(4) Uani 1 1 d > CIF O12 O 0.29101(14) -0.22898(10) 0.01730(14) 0.0558(3) Uani 1 1 d > CIF O22 O -0.07136(12) 0.01175(10) 0.30389(15) 0.0531(3) Uani 1 1 d > CIF O32 O 0.23611(12) 0.17875(9) 0.25236(13) 0.0494(3) Uani 1 1 d > CIF O42 O 0.00346(11) -0.16731(10) 0.05019(11) 0.0423(2) Uani 1 1 d > CIF N12 N 0.26747(11) -0.02664(9) 0.13845(11) 0.0316(2) Uani 1 1 d > CIF N22 N 0.07518(12) 0.09797(9) 0.27009(12) 0.0335(2) Uani 1 1 d > CIF C12 C 0.23242(14) -0.13481(11) 0.10217(14) 0.0329(2) Uani 1 1 d > CIF C22 C 0.11662(13) -0.13403(10) 0.17356(13) 0.0295(2) Uani 1 1 d > CIF C32 C 0.03271(13) -0.00254(11) 0.25705(14) 0.0331(2) Uani 1 1 d > CIF C42 C 0.19518(13) 0.08904(11) 0.22294(14) 0.0323(2) Uani 1 1 d > CIF C52 C 0.37899(18) -0.02716(16) 0.07079(19) 0.0455(3) Uani 1 1 d > CIF C62 C -0.0105(2) 0.22397(13) 0.3439(2) 0.0502(4) Uani 1 1 d > CIF N1 N 0.28495(14) 0.14202(11) 0.66424(14) 0.0445(3) Uani 1 1 d > CIF N2 N 0.30622(19) 0.49675(12) 0.8685(2) 0.0590(4) Uani 1 1 d > CIF C1 C 0.30072(15) 0.38055(11) 0.80346(15) 0.0366(3) Uani 1 1 d > CIF C2 C 0.37953(16) 0.30182(13) 0.69009(17) 0.0414(3) Uani 1 1 d > CIF C3 C 0.36927(17) 0.18525(13) 0.62433(16) 0.0440(3) Uani 1 1 d > CIF C4 C 0.20991(17) 0.21349(14) 0.77291(18) 0.0461(3) Uani 1 1 d > CIF C5 C 0.21605(16) 0.33085(13) 0.84423(17) 0.0426(3) Uani 1 1 d > CIF H511 H 0.099(4) -0.523(3) 0.269(4) 0.122(11) Uiso 1 1 d > CIF H521 H 0.257(3) -0.583(3) 0.392(3) 0.108(9) Uiso 1 1 d > CIF H531 H 0.234(4) -0.592(4) 0.217(4) 0.136(12) Uiso 1 1 d > CIF H611 H 0.501(3) -0.213(2) 0.684(3) 0.088(7) Uiso 1 1 d > CIF H621 H 0.449(3) -0.287(3) 0.747(3) 0.106(9) Uiso 1 1 d > CIF H631 H 0.350(3) -0.155(3) 0.738(3) 0.109(9) Uiso 1 1 d > CIF H42 H 0.032(2) -0.249(2) 0.041(2) 0.056(5) Uiso 1 1 d > CIF H512 H 0.447(2) -0.116(2) 0.043(3) 0.074(6) Uiso 1 1 d > CIF H522 H 0.447(3) 0.010(3) 0.146(3) 0.101(8) Uiso 1 1 d > CIF H532 H 0.336(3) 0.004(2) -0.017(3) 0.083(7) Uiso 1 1 d > CIF H612 H -0.103(3) 0.250(2) 0.279(3) 0.080(7) Uiso 1 1 d > CIF H622 H -0.022(3) 0.213(3) 0.440(3) 0.099(8) Uiso 1 1 d > CIF H632 H 0.039(3) 0.278(3) 0.375(3) 0.098(8) Uiso 1 1 d > CIF H1 H 0.280(2) 0.064(2) 0.612(3) 0.070(6) Uiso 1 1 d > CIF H21 H 0.254(3) 0.542(2) 0.941(3) 0.076(6) Uiso 1 1 d > CIF H22 H 0.359(3) 0.526(2) 0.833(3) 0.084(7) Uiso 1 1 d > CIF H2 H 0.442(2) 0.3299(17) 0.661(2) 0.051(4) Uiso 1 1 d > CIF H3 H 0.426(2) 0.128(2) 0.549(2) 0.065(5) Uiso 1 1 d > CIF H4 H 0.152(2) 0.1782(18) 0.790(2) 0.054(5) Uiso 1 1 d > CIF H5 H 0.158(2) 0.3783(19) 0.916(2) 0.062(5) Uiso 1 1 d > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF O11 0.0564(6) 0.0304(4) 0.0422(5) -0.0053(4) 0.0130(4) -0.0231(4) > CIF O21 0.0468(5) 0.0281(4) 0.0365(4) 0.0001(3) 0.0102(4) -0.0207(4) > CIF O31 0.0711(7) 0.0432(6) 0.0578(6) 0.0255(5) 0.0176(5) -0.0135(5) > CIF N11 0.0490(6) 0.0210(4) 0.0488(6) 0.0058(4) 0.0169(5) -0.0130(4) > CIF N21 0.0372(5) 0.0298(5) 0.0333(5) 0.0068(4) 0.0100(4) -0.0108(4) > CIF C11 0.0362(6) 0.0229(5) 0.0378(6) 0.0002(4) 0.0156(5) -0.0114(4) > CIF C21 0.0341(5) 0.0221(5) 0.0314(5) 0.0030(4) 0.0113(4) -0.0116(4) > CIF C31 0.0309(5) 0.0226(5) 0.0321(5) 0.0022(4) 0.0137(4) -0.0091(4) > CIF C41 0.0412(6) 0.0284(6) 0.0444(7) 0.0111(5) 0.0182(5) -0.0060(5) > CIF C51 0.0848(13) 0.0304(7) 0.0823(13) 0.0147(8) 0.0139(11) -0.0287(8) > CIF C61 0.0533(9) 0.0596(9) 0.0379(7) 0.0139(7) 0.0002(6) -0.0233(8) > CIF O12 0.0811(8) 0.0357(5) 0.0643(7) -0.0090(5) 0.0485(6) -0.0217(5) > CIF O22 0.0507(6) 0.0395(5) 0.0816(8) 0.0097(5) 0.0397(6) -0.0100(4) > CIF O32 0.0583(6) 0.0373(5) 0.0600(6) -0.0007(4) 0.0148(5) -0.0306(5) > CIF O42 0.0464(5) 0.0418(5) 0.0387(5) 0.0107(4) -0.0020(4) -0.0228(4) > CIF N12 0.0359(5) 0.0310(5) 0.0340(5) 0.0057(4) 0.0121(4) -0.0149(4) > CIF N22 0.0386(5) 0.0217(4) 0.0399(5) 0.0043(4) 0.0142(4) -0.0074(4) > CIF C12 0.0422(6) 0.0281(5) 0.0328(6) 0.0040(4) 0.0145(5) -0.0131(5) > CIF C22 0.0349(5) 0.0247(5) 0.0320(5) 0.0039(4) 0.0095(4) -0.0132(4) > CIF C32 0.0347(6) 0.0272(5) 0.0399(6) 0.0085(4) 0.0131(5) -0.0082(4) > CIF C42 0.0368(6) 0.0287(5) 0.0326(5) 0.0054(4) 0.0056(4) -0.0149(4) > CIF C52 0.0485(8) 0.0549(9) 0.0473(8) 0.0088(7) 0.0205(6) -0.0253(7) > CIF C62 0.0520(9) 0.0263(6) 0.0647(10) -0.0008(6) 0.0238(8) -0.0049(6) > CIF N1 0.0534(7) 0.0272(5) 0.0455(6) 0.0003(4) 0.0047(5) -0.0173(5) > CIF N2 0.0781(10) 0.0319(6) 0.0725(9) -0.0083(6) 0.0333(8) -0.0252(6) > CIF C1 0.0428(6) 0.0267(5) 0.0402(6) 0.0021(5) 0.0131(5) -0.0124(5) > CIF C2 0.0479(7) 0.0343(6) 0.0480(7) 0.0082(5) 0.0228(6) -0.0106(5) > CIF C3 0.0543(8) 0.0336(6) 0.0368(6) 0.0018(5) 0.0169(6) -0.0066(6) > CIF C4 0.0454(7) 0.0423(7) 0.0584(9) 0.0102(6) 0.0130(6) -0.0221(6) > CIF C5 0.0463(7) 0.0390(7) 0.0472(7) -0.0002(5) 0.0229(6) -0.0160(6) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C41 N11 C11 123.99(10) > CIF C41 N11 C51 117.88(13) > CIF C11 N11 C51 118.11(13) > CIF C41 N21 C31 123.62(10) > CIF C41 N21 C61 118.30(11) > CIF C31 N21 C61 117.90(11) > CIF O11 C11 N11 117.60(10) > CIF O11 C11 C21 125.35(11) > CIF N11 C11 C21 117.04(10) > CIF C31 C21 C11 120.82(10) > CIF C31 C21 C22 118.38(9) > CIF C11 C21 C22 120.75(10) > CIF O21 C31 C21 123.69(10) > CIF O21 C31 N21 118.63(10) > CIF C21 C31 N21 117.66(10) > CIF O31 C41 N11 122.10(12) > CIF O31 C41 N21 121.62(13) > CIF N11 C41 N21 116.28(10) > CIF N11 C51 H511 109.1(19) > CIF N11 C51 H521 110.5(18) > CIF H511 C51 H521 123(3) > CIF N11 C51 H531 110(2) > CIF H511 C51 H531 93(3) > CIF H521 C51 H531 109(3) > CIF N21 C61 H611 109.2(15) > CIF N21 C61 H621 110.8(19) > CIF H611 C61 H621 110(2) > CIF N21 C61 H631 108.7(18) > CIF H611 C61 H631 112(2) > CIF H621 C61 H631 106(3) > CIF C22 O42 H42 103.0(12) > CIF C12 N12 C42 125.16(10) > CIF C12 N12 C52 118.17(11) > CIF C42 N12 C52 116.36(10) > CIF C32 N22 C42 124.79(10) > CIF C32 N22 C62 117.64(11) > CIF C42 N22 C62 117.55(11) > CIF O12 C12 N12 121.78(11) > CIF O12 C12 C22 120.24(11) > CIF N12 C12 C22 117.98(10) > CIF O42 C22 C21 112.48(9) > CIF O42 C22 C12 106.95(9) > CIF C21 C22 C12 109.61(9) > CIF O42 C22 C32 103.56(10) > CIF C21 C22 C32 109.55(9) > CIF C12 C22 C32 114.61(9) > CIF O22 C32 N22 121.26(11) > CIF O22 C32 C22 120.35(11) > CIF N22 C32 C22 118.33(10) > CIF O32 C42 N22 121.40(12) > CIF O32 C42 N12 120.51(12) > CIF N22 C42 N12 118.09(10) > CIF N12 C52 H512 110.2(13) > CIF N12 C52 H522 110.8(16) > CIF H512 C52 H522 101(2) > CIF N12 C52 H532 111.6(16) > CIF H512 C52 H532 107(2) > CIF H522 C52 H532 116(2) > CIF N22 C62 H612 108.3(15) > CIF N22 C62 H622 106.5(15) > CIF H612 C62 H622 109(2) > CIF N22 C62 H632 111.9(18) > CIF H612 C62 H632 115(2) > CIF H622 C62 H632 105(2) > CIF C4 N1 C3 120.57(12) > CIF C4 N1 H1 122.8(14) > CIF C3 N1 H1 116.6(14) > CIF C1 N2 H21 117.1(15) > CIF C1 N2 H22 117.7(15) > CIF H21 N2 H22 125(2) > CIF N2 C1 C5 121.55(13) > CIF N2 C1 C2 121.34(13) > CIF C5 C1 C2 117.11(12) > CIF C3 C2 C1 119.81(13) > CIF C3 C2 H2 119.7(11) > CIF C1 C2 H2 120.5(11) > CIF N1 C3 C2 121.34(12) > CIF N1 C3 H3 117.4(12) > CIF C2 C3 H3 121.2(12) > CIF N1 C4 C5 121.17(13) > CIF N1 C4 H4 114.8(12) > CIF C5 C4 H4 123.9(12) > CIF C4 C5 C1 119.98(13) > CIF C4 C5 H5 117.9(12) > CIF C1 C5 H5 122.0(12) > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF O11 C11 1.2586(15) > CIF O21 C31 1.2514(13) > CIF O31 C41 1.2232(16) > CIF N11 C41 1.3715(18) > CIF N11 C11 1.3985(16) > CIF N11 C51 1.4682(17) > CIF N21 C41 1.3767(16) > CIF N21 C31 1.3962(15) > CIF N21 C61 1.4601(18) > CIF C11 C21 1.4002(15) > CIF C21 C31 1.3959(16) > CIF C21 C22 1.5162(15) > CIF C51 H511 0.97(3) > CIF C51 H521 0.90(3) > CIF C51 H531 1.00(4) > CIF C61 H611 0.96(3) > CIF C61 H621 0.89(3) > CIF C61 H631 0.95(3) > CIF O12 C12 1.2078(16) > CIF O22 C32 1.2047(15) > CIF O32 C42 1.2070(15) > CIF O42 C22 1.4123(14) > CIF O42 H42 0.87(2) > CIF N12 C12 1.3697(15) > CIF N12 C42 1.3925(16) > CIF N12 C52 1.4650(16) > CIF N22 C32 1.3712(15) > CIF N22 C42 1.3813(16) > CIF N22 C62 1.4708(16) > CIF C12 C22 1.5273(16) > CIF C22 C32 1.5392(16) > CIF C52 H512 1.00(2) > CIF C52 H522 0.95(3) > CIF C52 H532 0.90(2) > CIF C62 H612 0.91(3) > CIF C62 H622 1.00(3) > CIF C62 H632 0.89(3) > CIF N1 C4 1.342(2) > CIF N1 C3 1.343(2) > CIF N1 H1 0.91(2) > CIF N2 C1 1.3304(17) > CIF N2 H21 0.90(2) > CIF N2 H22 0.93(3) > CIF C1 C5 1.4069(19) > CIF C1 C2 1.4122(18) > CIF C2 C3 1.350(2) > CIF C2 H2 0.961(18) > CIF C3 H3 0.98(2) > CIF C4 C5 1.353(2) > CIF C4 H4 0.920(19) > CIF C5 H5 0.94(2) tests/cases/cod_predeposition_check_019.opt: FAILED: 1,22c1,2004 < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(3): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(8) data_compound_2: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(761) data_compound_3: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1704) data_compound_7: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif: NOTE, 7 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif: NOTE, 12 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 12 warning(s). --- > scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(3): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(8) data_compound_2: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(751) data_compound_2: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(761) data_compound_3: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1695) data_compound_3: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(1704) data_compound_7: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif(2203) data_compound_7: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_2: WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_3: WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/om400620h_si_001.cif data_compound_7: WARNING, data item '_publ_section_title' is absent. > CIF data_compound_2 > CIF _chemical_formula_sum 'C41 H52 Al O P' > CIF _chemical_formula_weight 618.78 > CIF _chemical_name_systematic > CIF ; > CIF ? > CIF ; > CIF _space_group_IT_number 19 > CIF _symmetry_cell_setting orthorhombic > CIF _symmetry_space_group_name_Hall 'P 2ac 2ab' > CIF _symmetry_space_group_name_H-M 'P 21 21 21' > CIF _atom_sites_solution_hydrogens geom > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 90.00 > CIF _cell_angle_beta 90.00 > CIF _cell_angle_gamma 90.00 > CIF _cell_formula_units_Z 4 > CIF _cell_length_a 8.7589(4) > CIF _cell_length_b 18.6819(9) > CIF _cell_length_c 22.0981(10) > CIF _cell_measurement_reflns_used 5998 > CIF _cell_measurement_temperature 153(2) > CIF _cell_measurement_theta_max colourless > CIF _cell_measurement_theta_min 3.10 > CIF _cell_volume 3616.0(3) > CIF _computing_cell_refinement 'Bruker SAINT+' > CIF _computing_data_collection 'Bruker SMART' > CIF _computing_data_reduction 'Bruker SHELXTL' > CIF _computing_molecular_graphics 'Bruker SHELXTL' > CIF _computing_publication_material 'Bruker SHELXTL' > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' > CIF _diffrn_ambient_temperature 153(2) > CIF _diffrn_measured_fraction_theta_full 0.977 > CIF _diffrn_measured_fraction_theta_max 0.977 > CIF _diffrn_measurement_device_type 'CCD area detector' > CIF _diffrn_measurement_method 'omega scans' > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'rotating anode' > CIF _diffrn_radiation_type CuK\a > CIF _diffrn_radiation_wavelength 1.54178 > CIF _diffrn_reflns_av_R_equivalents 0.0591 > CIF _diffrn_reflns_av_sigmaI/netI 0.0598 > CIF _diffrn_reflns_limit_h_max 8 > CIF _diffrn_reflns_limit_h_min -10 > CIF _diffrn_reflns_limit_k_max 21 > CIF _diffrn_reflns_limit_k_min -22 > CIF _diffrn_reflns_limit_l_max 23 > CIF _diffrn_reflns_limit_l_min -27 > CIF _diffrn_reflns_number 21416 > CIF _diffrn_reflns_theta_full 72.39 > CIF _diffrn_reflns_theta_max 72.39 > CIF _diffrn_reflns_theta_min 3.10 > CIF _exptl_absorpt_coefficient_mu 1.120 > CIF _exptl_absorpt_correction_T_max 0.9461 > CIF _exptl_absorpt_correction_T_min 0.7749 > CIF _exptl_absorpt_correction_type empirical > CIF _exptl_absorpt_process_details SADABS > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.137 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description rod > CIF _exptl_crystal_F_000 1336 > CIF _exptl_crystal_size_max 0.24 > CIF _exptl_crystal_size_mid 0.06 > CIF _exptl_crystal_size_min 0.05 > CIF _refine_diff_density_max 0.474 > CIF _refine_diff_density_min -0.296 > CIF _refine_diff_density_rms > CIF '0.054 =========================================================================================================================== Compound 3' > CIF _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' > CIF _refine_ls_abs_structure_Flack 0.00(2) > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.037 > CIF _refine_ls_hydrogen_treatment constr. > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 409 > CIF _refine_ls_number_reflns 6882 > CIF _refine_ls_number_restraints 0 > CIF _refine_ls_restrained_S_all 1.037 > CIF _refine_ls_R_factor_all 0.0521 > CIF _refine_ls_R_factor_gt 0.0467 > CIF _refine_ls_shift/su_max 0.000 > CIF _refine_ls_shift/su_mean 0.000 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0787P)^2^+0.0939P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1184 > CIF _refine_ls_wR_factor_ref 0.1218 > CIF _reflns_number_gt 6288 > CIF _reflns_number_total 6882 > CIF _reflns_threshold_expression >2sigma(I) > CIF _cod_data_source_file om400620h_si_001.cif > CIF _cod_data_source_block compound_2 > CIF _cod_original_sg_symbol_H-M P212121 > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x+1/2, -y, z+1/2' > CIF '-x, y+1/2, -z+1/2' > CIF 'x+1/2, -y+1/2, -z' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF _atom_site_refinement_flags > CIF C1 C 0.7430(2) 0.37046(12) 0.83142(10) 0.0222(4) Uani 1 1 d . > CIF C2 C 0.6926(3) 0.31921(13) 0.86985(11) 0.0255(5) Uani 1 1 d . > CIF H2 H 0.7244 0.2709 0.8619 0.031 Uiso 1 1 calc R > CIF C31 C 0.5943(3) 0.33079(13) 0.92238(11) 0.0269(5) Uani 1 1 d . > CIF C32 C 0.5751(3) 0.27650(15) 0.96562(12) 0.0335(6) Uani 1 1 d . > CIF H32 H 0.6273 0.2317 0.9608 0.040 Uiso 1 1 calc R > CIF C33 C 0.4811(3) 0.28735(17) 1.01529(13) 0.0429(7) Uani 1 1 d . > CIF H33 H 0.4694 0.2500 1.0448 0.051 Uiso 1 1 calc R > CIF C34 C 0.4042(3) 0.35137(18) 1.02280(12) 0.0420(7) Uani 1 1 d . > CIF H34 H 0.3406 0.3589 1.0576 0.050 Uiso 1 1 calc R > CIF C35 C 0.4198(3) 0.40448(16) 0.97963(13) 0.0370(6) Uani 1 1 d . > CIF H35 H 0.3644 0.4485 0.9840 0.044 Uiso 1 1 calc R > CIF C36 C 0.5138(3) 0.39481(13) 0.93059(12) 0.0308(5) Uani 1 1 d . > CIF H36 H 0.5245 0.4326 0.9014 0.037 Uiso 1 1 calc R > CIF Al1 Al 0.77448(7) 0.48002(4) 0.84561(3) 0.02305(16) Uani 1 1 d . > CIF C4 C 0.6092(3) 0.55047(13) 0.82041(13) 0.0325(6) Uani 1 1 d . > CIF C41 C 0.6918(3) 0.62290(15) 0.81900(16) 0.0439(7) Uani 1 1 d . > CIF H41A H 0.7817 0.6191 0.7944 0.053 Uiso 1 1 calc R > CIF H41B H 0.7203 0.6363 0.8594 0.053 Uiso 1 1 calc R > CIF H41C H 0.6251 0.6586 0.8024 0.053 Uiso 1 1 calc R > CIF C42 C 0.5548(4) 0.53606(17) 0.75617(16) 0.0529(9) Uani 1 1 d . > CIF H42A H 0.4997 0.4917 0.7551 0.063 Uiso 1 1 calc R > CIF H42B H 0.6413 0.5331 0.7296 0.063 Uiso 1 1 calc R > CIF H42C H 0.4892 0.5743 0.7433 0.063 Uiso 1 1 calc R > CIF C43 C 0.4665(3) 0.55923(17) 0.86029(18) 0.0515(8) Uani 1 1 d . > CIF H43A H 0.4096 0.6003 0.8472 0.062 Uiso 1 1 calc R > CIF H43B H 0.4969 0.5656 0.9017 0.062 Uiso 1 1 calc R > CIF H43C H 0.4038 0.5173 0.8569 0.062 Uiso 1 1 calc R > CIF C5 C 0.8828(3) 0.50088(15) 0.92529(12) 0.0342(6) Uani 1 1 d . > CIF C51 C 0.7829(4) 0.53907(19) 0.97198(14) 0.0505(8) Uani 1 1 d . > CIF H51A H 0.6983 0.5089 0.9826 0.061 Uiso 1 1 calc R > CIF H51B H 0.7455 0.5831 0.9551 0.061 Uiso 1 1 calc R > CIF H51C H 0.8423 0.5492 1.0075 0.061 Uiso 1 1 calc R > CIF C52 C 0.9457(3) 0.43337(17) 0.95507(13) 0.0422(7) Uani 1 1 d . > CIF H52A H 1.0122 0.4091 0.9273 0.051 Uiso 1 1 calc R > CIF H52B H 0.8627 0.4023 0.9659 0.051 Uiso 1 1 calc R > CIF H52C H 1.0017 0.4462 0.9908 0.051 Uiso 1 1 calc R > CIF C53 C 1.0195(3) 0.55034(17) 0.91059(14) 0.0444(7) Uani 1 1 d . > CIF H53A H 1.0742 0.5610 0.9471 0.053 Uiso 1 1 calc R > CIF H53B H 0.9828 0.5940 0.8929 0.053 Uiso 1 1 calc R > CIF H53C H 1.0864 0.5267 0.8826 0.053 Uiso 1 1 calc R > CIF P1 P 0.86270(6) 0.34196(3) 0.76918(2) 0.01999(13) Uani 1 1 d . > CIF C61 C 0.9975(3) 0.27677(12) 0.80063(10) 0.0221(4) Uani 1 1 d . > CIF C62 C 0.9562(3) 0.20328(12) 0.80281(11) 0.0257(5) Uani 1 1 d . > CIF C63 C 1.0555(3) 0.15592(14) 0.83099(11) 0.0308(5) Uani 1 1 d . > CIF H63 H 1.0292 0.1060 0.8319 0.037 Uiso 1 1 calc R > CIF C64 C 1.1910(3) 0.17736(14) 0.85786(12) 0.0329(6) Uani 1 1 d . > CIF C65 C 1.2284(3) 0.24974(14) 0.85491(11) 0.0307(5) Uani 1 1 d . > CIF H65 H 1.3221 0.2658 0.8729 0.037 Uiso 1 1 calc R > CIF C66 C 1.1349(3) 0.29915(12) 0.82682(10) 0.0247(5) Uani 1 1 d . > CIF C621 C 0.8106(3) 0.17108(13) 0.77708(13) 0.0332(6) Uani 1 1 d . > CIF H62A H 0.8263 0.1589 0.7353 0.040 Uiso 1 1 calc R > CIF H62B H 0.7291 0.2052 0.7803 0.040 Uiso 1 1 calc R > CIF H62C H 0.7846 0.1287 0.7994 0.040 Uiso 1 1 calc R > CIF C641 C 1.2908(4) 0.12513(18) 0.89101(15) 0.0510(8) Uani 1 1 d . > CIF H64A H 1.3948 0.1313 0.8784 0.061 Uiso 1 1 calc R > CIF H64B H 1.2583 0.0772 0.8821 0.061 Uiso 1 1 calc R > CIF H64C H 1.2830 0.1335 0.9338 0.061 Uiso 1 1 calc R > CIF C661 C 1.1876(3) 0.37598(14) 0.82481(13) 0.0319(6) Uani 1 1 d . > CIF H66A H 1.2502 0.3858 0.8595 0.038 Uiso 1 1 calc R > CIF H66B H 1.1005 0.4071 0.8251 0.038 Uiso 1 1 calc R > CIF H66C H 1.2457 0.3839 0.7886 0.038 Uiso 1 1 calc R > CIF C71 C 0.7822(3) 0.30262(12) 0.70069(11) 0.0246(5) Uani 1 1 d . > CIF C72 C 0.8866(3) 0.27559(12) 0.65765(11) 0.0277(5) Uani 1 1 d . > CIF C73 C 0.8316(3) 0.24962(14) 0.60325(12) 0.0364(6) Uani 1 1 d . > CIF H73 H 0.9026 0.2298 0.5747 0.044 Uiso 1 1 calc R > CIF C74 C 0.6777(4) 0.25112(16) 0.58825(13) 0.0426(7) Uani 1 1 d . > CIF C75 C 0.5774(3) 0.27883(16) 0.63052(13) 0.0392(6) Uani 1 1 d . > CIF H75 H 0.4708 0.2809 0.6207 0.047 Uiso 1 1 calc R > CIF C76 C 0.6254(3) 0.30394(13) 0.68699(11) 0.0282(5) Uani 1 1 d . > CIF C721 C 1.0588(3) 0.27230(14) 0.66634(12) 0.0315(5) Uani 1 1 d . > CIF H72A H 1.0851 0.2293 0.6877 0.038 Uiso 1 1 calc R > CIF H72B H 1.0919 0.3131 0.6893 0.038 Uiso 1 1 calc R > CIF H72C H 1.1082 0.2724 0.6276 0.038 Uiso 1 1 calc R > CIF C741 C 0.6242(5) 0.2242(3) 0.52760(16) 0.0750(12) Uani 1 1 d . > CIF H74A H 0.5187 0.2105 0.5303 0.090 Uiso 1 1 calc R > CIF H74B H 0.6843 0.1835 0.5159 0.090 Uiso 1 1 calc R > CIF H74C H 0.6354 0.2614 0.4980 0.090 Uiso 1 1 calc R > CIF C761 C 0.5038(3) 0.32811(14) 0.72997(13) 0.0367(6) Uani 1 1 d . > CIF H76A H 0.4115 0.3375 0.7080 0.044 Uiso 1 1 calc R > CIF H76B H 0.5365 0.3710 0.7501 0.044 Uiso 1 1 calc R > CIF H76C H 0.4854 0.2913 0.7594 0.044 Uiso 1 1 calc R > CIF O1 O 0.91961(18) 0.48384(8) 0.78701(7) 0.0261(3) Uani 1 1 d . > CIF C8 C 0.8997(3) 0.43791(11) 0.73930(10) 0.0231(5) Uani 1 1 d . > CIF H1 H 0.8028 0.4519 0.7228 0.028 Uiso 1 1 calc R > CIF C81 C 1.0084(3) 0.44842(12) 0.68728(10) 0.0252(5) Uani 1 1 d . > CIF C82 C 0.9606(3) 0.43481(13) 0.62864(12) 0.0291(5) Uani 1 1 d . > CIF H82 H 0.8567 0.4208 0.6214 0.035 Uiso 1 1 calc R > CIF C83 C 1.0601(3) 0.44113(15) 0.58038(12) 0.0354(6) Uani 1 1 d . > CIF H83 H 1.0256 0.4309 0.5401 0.042 Uiso 1 1 calc R > CIF C84 C 1.2102(3) 0.46229(15) 0.59025(12) 0.0378(6) Uani 1 1 d . > CIF H84 H 1.2807 0.4650 0.5570 0.045 Uiso 1 1 calc R > CIF C85 C 1.2574(3) 0.47943(14) 0.64797(12) 0.0349(6) Uani 1 1 d . > CIF H85 H 1.3601 0.4955 0.6547 0.042 Uiso 1 1 calc R > CIF C86 C 1.1571(3) 0.47354(12) 0.69667(11) 0.0278(5) Uani 1 1 d . > CIF H86 H 1.1900 0.4867 0.7366 0.033 Uiso 1 1 calc R > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF C1 0.0197(10) 0.0200(12) 0.0269(11) -0.0024(8) 0.0027(8) -0.0006(8) > CIF C2 0.0254(11) 0.0179(12) 0.0332(13) -0.0010(9) 0.0003(9) -0.0008(8) > CIF C31 0.0243(11) 0.0266(13) 0.0298(12) 0.0013(9) -0.0012(8) -0.0066(9) > CIF C32 0.0284(12) 0.0333(15) 0.0388(14) 0.0083(10) 0.0002(10) -0.0036(10) > CIF C33 0.0346(14) 0.0528(19) 0.0411(15) 0.0140(13) 0.0022(11) -0.0108(12) > CIF C34 0.0392(14) 0.0564(19) 0.0304(14) -0.0053(12) 0.0100(11) -0.0114(13) > CIF C35 0.0339(13) 0.0365(16) 0.0407(15) -0.0101(11) 0.0078(11) -0.0073(11) > CIF C36 0.0275(12) 0.0258(13) 0.0391(14) -0.0008(10) 0.0046(10) -0.0058(10) > CIF Al1 0.0212(3) 0.0177(3) 0.0303(4) -0.0051(3) 0.0031(2) -0.0024(2) > CIF C4 0.0293(12) 0.0167(12) 0.0516(16) -0.0038(10) 0.0019(10) 0.0023(9) > CIF C41 0.0423(15) 0.0190(14) 0.070(2) -0.0039(12) 0.0118(13) -0.0003(11) > CIF C42 0.0571(19) 0.0296(17) 0.072(2) -0.0012(14) -0.0220(16) 0.0167(13) > CIF C43 0.0331(14) 0.0331(17) 0.088(2) 0.0127(15) 0.0147(15) 0.0078(12) > CIF C5 0.0303(12) 0.0365(15) 0.0356(14) -0.0102(10) 0.0029(10) -0.0108(10) > CIF C51 0.0472(17) 0.060(2) 0.0442(17) -0.0232(15) 0.0073(13) -0.0143(15) > CIF C52 0.0374(14) 0.060(2) 0.0292(14) -0.0007(12) -0.0046(11) -0.0118(13) > CIF C53 0.0369(14) 0.0463(17) 0.0500(17) -0.0107(13) -0.0039(12) -0.0187(13) > CIF P1 0.0198(2) 0.0138(3) 0.0264(3) -0.0004(2) 0.0012(2) 0.00039(19) > CIF C61 0.0243(11) 0.0176(11) 0.0244(11) 0.0022(8) -0.0007(9) 0.0020(8) > CIF C62 0.0323(12) 0.0180(12) 0.0267(12) -0.0003(9) 0.0001(9) -0.0003(9) > CIF C63 0.0427(14) 0.0179(12) 0.0317(13) 0.0007(9) -0.0028(10) 0.0023(10) > CIF C64 0.0382(13) 0.0328(15) 0.0278(13) 0.0021(10) -0.0041(10) 0.0090(10) > CIF C65 0.0277(12) 0.0326(14) 0.0318(13) 0.0009(10) -0.0050(10) 0.0011(10) > CIF C66 0.0245(11) 0.0222(12) 0.0274(11) -0.0017(8) 0.0021(9) -0.0009(9) > CIF C621 0.0387(13) 0.0177(13) 0.0433(15) 0.0028(10) -0.0115(11) -0.0051(9) > CIF C641 0.0603(19) 0.0397(18) 0.0530(19) 0.0064(14) -0.0193(15) 0.0161(15) > CIF C661 0.0241(11) 0.0262(14) 0.0455(15) 0.0041(10) -0.0036(10) -0.0054(9) > CIF C71 0.0297(11) 0.0149(11) 0.0293(12) 0.0015(9) -0.0039(9) 0.0006(9) > CIF C72 0.0359(13) 0.0168(12) 0.0305(12) 0.0033(9) -0.0018(9) 0.0025(9) > CIF C73 0.0519(17) 0.0267(14) 0.0306(14) -0.0009(10) 0.0053(11) -0.0002(11) > CIF C74 0.0566(19) 0.0381(17) 0.0330(15) 0.0009(11) -0.0066(12) -0.0125(13) > CIF C75 0.0363(14) 0.0388(16) 0.0425(15) 0.0069(12) -0.0131(11) -0.0095(11) > CIF C76 0.0279(12) 0.0181(12) 0.0386(13) 0.0033(9) -0.0076(10) -0.0024(9) > CIF C721 0.0345(13) 0.0268(13) 0.0330(13) 0.0009(10) 0.0053(10) 0.0124(10) > CIF C741 0.081(3) 0.095(3) 0.049(2) -0.017(2) -0.0147(19) -0.022(2) > CIF C761 0.0249(12) 0.0358(15) 0.0495(16) -0.0025(12) -0.0019(11) 0.0002(10) > CIF O1 0.0296(8) 0.0156(8) 0.0331(9) -0.0041(6) 0.0054(6) -0.0032(6) > CIF C8 0.0255(11) 0.0143(11) 0.0295(12) -0.0003(8) -0.0003(8) 0.0020(8) > CIF C81 0.0298(11) 0.0105(10) 0.0353(13) 0.0033(8) 0.0043(9) 0.0042(8) > CIF C82 0.0320(12) 0.0185(12) 0.0367(14) 0.0066(9) -0.0015(10) 0.0029(9) > CIF C83 0.0447(15) 0.0306(14) 0.0308(14) 0.0050(10) -0.0017(11) 0.0057(11) > CIF C84 0.0397(14) 0.0373(16) 0.0363(15) 0.0102(11) 0.0122(11) 0.0085(12) > CIF C85 0.0307(12) 0.0300(14) 0.0440(16) 0.0073(11) 0.0042(11) -0.0001(10) > CIF C86 0.0317(12) 0.0206(12) 0.0311(12) 0.0040(9) -0.0007(9) -0.0017(9) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C2 C1 P1 117.22(18) > CIF C2 C1 Al1 129.93(18) > CIF P1 C1 Al1 109.01(11) > CIF C1 C2 C31 125.8(2) > CIF C1 C2 H2 117.1 > CIF C31 C2 H2 117.1 > CIF C36 C31 C32 118.0(2) > CIF C36 C31 C2 121.7(2) > CIF C32 C31 C2 120.3(2) > CIF C33 C32 C31 120.3(3) > CIF C33 C32 H32 119.9 > CIF C31 C32 H32 119.9 > CIF C34 C33 C32 120.7(3) > CIF C34 C33 H33 119.6 > CIF C32 C33 H33 119.6 > CIF C33 C34 C35 119.3(2) > CIF C33 C34 H34 120.4 > CIF C35 C34 H34 120.4 > CIF C36 C35 C34 120.6(3) > CIF C36 C35 H35 119.7 > CIF C34 C35 H35 119.7 > CIF C35 C36 C31 121.1(2) > CIF C35 C36 H36 119.4 > CIF C31 C36 H36 119.4 > CIF O1 Al1 C4 106.11(10) > CIF O1 Al1 C5 106.42(9) > CIF C4 Al1 C5 116.37(11) > CIF O1 Al1 C1 91.38(8) > CIF C4 Al1 C1 119.92(10) > CIF C5 Al1 C1 112.25(11) > CIF C42 C4 C41 106.5(3) > CIF C42 C4 C43 107.4(3) > CIF C41 C4 C43 107.5(2) > CIF C42 C4 Al1 111.33(18) > CIF C41 C4 Al1 103.92(18) > CIF C43 C4 Al1 119.4(2) > CIF C4 C41 H41A 109.5 > CIF C4 C41 H41B 109.5 > CIF H41A C41 H41B 109.5 > CIF C4 C41 H41C 109.5 > CIF H41A C41 H41C 109.5 > CIF H41B C41 H41C 109.5 > CIF C4 C42 H42A 109.5 > CIF C4 C42 H42B 109.5 > CIF H42A C42 H42B 109.5 > CIF C4 C42 H42C 109.5 > CIF H42A C42 H42C 109.5 > CIF H42B C42 H42C 109.5 > CIF C4 C43 H43A 109.5 > CIF C4 C43 H43B 109.5 > CIF H43A C43 H43B 109.5 > CIF C4 C43 H43C 109.5 > CIF H43A C43 H43C 109.5 > CIF H43B C43 H43C 109.5 > CIF C52 C5 C51 107.5(2) > CIF C52 C5 C53 107.8(2) > CIF C51 C5 C53 107.8(2) > CIF C52 C5 Al1 112.50(18) > CIF C51 C5 Al1 113.94(19) > CIF C53 C5 Al1 107.05(18) > CIF C5 C51 H51A 109.5 > CIF C5 C51 H51B 109.5 > CIF H51A C51 H51B 109.5 > CIF C5 C51 H51C 109.5 > CIF H51A C51 H51C 109.5 > CIF H51B C51 H51C 109.5 > CIF C5 C52 H52A 109.5 > CIF C5 C52 H52B 109.5 > CIF H52A C52 H52B 109.5 > CIF C5 C52 H52C 109.5 > CIF H52A C52 H52C 109.5 > CIF H52B C52 H52C 109.5 > CIF C5 C53 H53A 109.5 > CIF C5 C53 H53B 109.5 > CIF H53A C53 H53B 109.5 > CIF C5 C53 H53C 109.5 > CIF H53A C53 H53C 109.5 > CIF H53B C53 H53C 109.5 > CIF C1 P1 C71 121.69(11) > CIF C1 P1 C61 106.30(10) > CIF C71 P1 C61 107.20(10) > CIF C1 P1 C8 94.81(10) > CIF C71 P1 C8 98.89(10) > CIF C61 P1 C8 129.50(10) > CIF C66 C61 C62 119.6(2) > CIF C66 C61 P1 120.81(17) > CIF C62 C61 P1 119.40(17) > CIF C63 C62 C61 118.1(2) > CIF C63 C62 C621 116.2(2) > CIF C61 C62 C621 125.7(2) > CIF C64 C63 C62 123.0(2) > CIF C64 C63 H63 118.5 > CIF C62 C63 H63 118.5 > CIF C63 C64 C65 117.5(2) > CIF C63 C64 C641 121.3(3) > CIF C65 C64 C641 121.1(3) > CIF C66 C65 C64 122.0(2) > CIF C66 C65 H65 119.0 > CIF C64 C65 H65 119.0 > CIF C65 C66 C61 119.8(2) > CIF C65 C66 C661 117.9(2) > CIF C61 C66 C661 122.4(2) > CIF C62 C621 H62A 109.5 > CIF C62 C621 H62B 109.5 > CIF H62A C621 H62B 109.5 > CIF C62 C621 H62C 109.5 > CIF H62A C621 H62C 109.5 > CIF H62B C621 H62C 109.5 > CIF C64 C641 H64A 109.5 > CIF C64 C641 H64B 109.5 > CIF H64A C641 H64B 109.5 > CIF C64 C641 H64C 109.5 > CIF H64A C641 H64C 109.5 > CIF H64B C641 H64C 109.5 > CIF C66 C661 H66A 109.5 > CIF C66 C661 H66B 109.5 > CIF H66A C661 H66B 109.5 > CIF C66 C661 H66C 109.5 > CIF H66A C661 H66C 109.5 > CIF H66B C661 H66C 109.5 > CIF C76 C71 C72 119.6(2) > CIF C76 C71 P1 123.28(19) > CIF C72 C71 P1 116.91(17) > CIF C73 C72 C71 119.0(2) > CIF C73 C72 C721 116.2(2) > CIF C71 C72 C721 124.8(2) > CIF C72 C73 C74 122.6(3) > CIF C72 C73 H73 118.7 > CIF C74 C73 H73 118.7 > CIF C75 C74 C73 117.6(3) > CIF C75 C74 C741 121.9(3) > CIF C73 C74 C741 120.5(3) > CIF C74 C75 C76 122.5(3) > CIF C74 C75 H75 118.7 > CIF C76 C75 H75 118.7 > CIF C75 C76 C71 118.7(2) > CIF C75 C76 C761 117.0(2) > CIF C71 C76 C761 124.3(2) > CIF C72 C721 H72A 109.5 > CIF C72 C721 H72B 109.5 > CIF H72A C721 H72B 109.5 > CIF C72 C721 H72C 109.5 > CIF H72A C721 H72C 109.5 > CIF H72B C721 H72C 109.5 > CIF C74 C741 H74A 109.5 > CIF C74 C741 H74B 109.5 > CIF H74A C741 H74B 109.5 > CIF C74 C741 H74C 109.5 > CIF H74A C741 H74C 109.5 > CIF H74B C741 H74C 109.5 > CIF C76 C761 H76A 109.5 > CIF C76 C761 H76B 109.5 > CIF H76A C761 H76B 109.5 > CIF C76 C761 H76C 109.5 > CIF H76A C761 H76C 109.5 > CIF H76B C761 H76C 109.5 > CIF C8 O1 Al1 115.78(14) > CIF O1 C8 C81 115.16(18) > CIF O1 C8 P1 109.77(15) > CIF C81 C8 P1 119.13(15) > CIF O1 C8 H1 103.5 > CIF C81 C8 H1 103.5 > CIF P1 C8 H1 103.5 > CIF C82 C81 C86 118.8(2) > CIF C82 C81 C8 119.9(2) > CIF C86 C81 C8 121.3(2) > CIF C83 C82 C81 121.0(2) > CIF C83 C82 H82 119.5 > CIF C81 C82 H82 119.5 > CIF C82 C83 C84 120.0(3) > CIF C82 C83 H83 120.0 > CIF C84 C83 H83 120.0 > CIF C85 C84 C83 119.7(2) > CIF C85 C84 H84 120.2 > CIF C83 C84 H84 120.2 > CIF C84 C85 C86 120.5(2) > CIF C84 C85 H85 119.8 > CIF C86 C85 H85 119.8 > CIF C85 C86 C81 119.9(2) > CIF C85 C86 H86 120.0 > CIF C81 C86 H86 120.0 > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF C1 C2 1.354(3) > CIF C1 P1 1.810(2) > CIF C1 Al1 2.089(2) > CIF C2 C31 1.461(3) > CIF C2 H2 0.9600 > CIF C31 C36 1.400(4) > CIF C31 C32 1.404(3) > CIF C32 C33 1.387(4) > CIF C32 H32 0.9600 > CIF C33 C34 1.383(5) > CIF C33 H33 0.9600 > CIF C34 C35 1.383(4) > CIF C34 H34 0.9600 > CIF C35 C36 1.373(3) > CIF C35 H35 0.9600 > CIF C36 H36 0.9600 > CIF Al1 O1 1.8160(17) > CIF Al1 C4 2.034(3) > CIF Al1 C5 2.038(3) > CIF C4 C42 1.521(4) > CIF C4 C41 1.535(4) > CIF C4 C43 1.538(4) > CIF C41 H41A 0.9599 > CIF C41 H41B 0.9599 > CIF C41 H41C 0.9599 > CIF C42 H42A 0.9599 > CIF C42 H42B 0.9599 > CIF C42 H42C 0.9599 > CIF C43 H43A 0.9599 > CIF C43 H43B 0.9599 > CIF C43 H43C 0.9599 > CIF C5 C52 1.525(4) > CIF C5 C51 1.529(4) > CIF C5 C53 1.547(4) > CIF C51 H51A 0.9599 > CIF C51 H51B 0.9599 > CIF C51 H51C 0.9599 > CIF C52 H52A 0.9599 > CIF C52 H52B 0.9599 > CIF C52 H52C 0.9599 > CIF C53 H53A 0.9599 > CIF C53 H53B 0.9599 > CIF C53 H53C 0.9599 > CIF P1 C71 1.824(2) > CIF P1 C61 1.833(2) > CIF P1 C8 1.938(2) > CIF C61 C66 1.399(3) > CIF C61 C62 1.421(3) > CIF C62 C63 1.388(3) > CIF C62 C621 1.520(3) > CIF C63 C64 1.386(4) > CIF C63 H63 0.9600 > CIF C64 C65 1.393(4) > CIF C64 C641 1.501(4) > CIF C65 C66 1.381(3) > CIF C65 H65 0.9600 > CIF C66 C661 1.508(3) > CIF C621 H62A 0.9599 > CIF C621 H62B 0.9599 > CIF C621 H62C 0.9599 > CIF C641 H64A 0.9599 > CIF C641 H64B 0.9599 > CIF C641 H64C 0.9599 > CIF C661 H66A 0.9599 > CIF C661 H66B 0.9599 > CIF C661 H66C 0.9599 > CIF C71 C76 1.407(3) > CIF C71 C72 1.413(3) > CIF C72 C73 1.383(4) > CIF C72 C721 1.522(3) > CIF C73 C74 1.389(4) > CIF C73 H73 0.9600 > CIF C74 C75 1.382(4) > CIF C74 C741 1.506(4) > CIF C75 C76 1.398(4) > CIF C75 H75 0.9600 > CIF C76 C761 1.497(4) > CIF C721 H72A 0.9599 > CIF C721 H72B 0.9599 > CIF C721 H72C 0.9599 > CIF C741 H74A 0.9599 > CIF C741 H74B 0.9599 > CIF C741 H74C 0.9599 > CIF C761 H76A 0.9599 > CIF C761 H76B 0.9599 > CIF C761 H76C 0.9599 > CIF O1 C8 1.370(3) > CIF C8 C81 1.506(3) > CIF C8 H1 0.9600 > CIF C81 C82 1.385(4) > CIF C81 C86 1.400(3) > CIF C82 C83 1.382(4) > CIF C82 H82 0.9600 > CIF C83 C84 1.390(4) > CIF C83 H83 0.9600 > CIF C84 C85 1.379(4) > CIF C84 H84 0.9600 > CIF C85 C86 1.393(3) > CIF C85 H85 0.9600 > CIF C86 H86 0.9600 > CIF loop_ > CIF _geom_torsion_atom_site_label_1 > CIF _geom_torsion_atom_site_label_2 > CIF _geom_torsion_atom_site_label_3 > CIF _geom_torsion_atom_site_label_4 > CIF _geom_torsion > CIF P1 C1 C2 C31 -179.46(18) > CIF Al1 C1 C2 C31 25.3(4) > CIF C1 C2 C31 C36 14.6(4) > CIF C1 C2 C31 C32 -166.9(2) > CIF C36 C31 C32 C33 -1.2(4) > CIF C2 C31 C32 C33 -179.6(2) > CIF C31 C32 C33 C34 0.5(4) > CIF C32 C33 C34 C35 1.0(4) > CIF C33 C34 C35 C36 -1.8(4) > CIF C34 C35 C36 C31 1.0(4) > CIF C32 C31 C36 C35 0.4(4) > CIF C2 C31 C36 C35 178.9(2) > CIF C2 C1 Al1 O1 153.8(2) > CIF P1 C1 Al1 O1 -3.05(11) > CIF C2 C1 Al1 C4 -96.7(2) > CIF P1 C1 Al1 C4 106.47(13) > CIF C2 C1 Al1 C5 45.4(2) > CIF P1 C1 Al1 C5 -111.44(12) > CIF O1 Al1 C4 C42 52.9(2) > CIF C5 Al1 C4 C42 171.0(2) > CIF C1 Al1 C4 C42 -48.4(2) > CIF O1 Al1 C4 C41 -61.4(2) > CIF C5 Al1 C4 C41 56.7(2) > CIF C1 Al1 C4 C41 -162.69(17) > CIF O1 Al1 C4 C43 178.9(2) > CIF C5 Al1 C4 C43 -63.0(2) > CIF C1 Al1 C4 C43 77.6(2) > CIF O1 Al1 C5 C52 -88.66(19) > CIF C4 Al1 C5 C52 153.37(18) > CIF C1 Al1 C5 C52 9.8(2) > CIF O1 Al1 C5 C51 148.6(2) > CIF C4 Al1 C5 C51 30.6(2) > CIF C1 Al1 C5 C51 -112.9(2) > CIF O1 Al1 C5 C53 29.5(2) > CIF C4 Al1 C5 C53 -88.4(2) > CIF C1 Al1 C5 C53 128.0(2) > CIF C2 C1 P1 C71 80.1(2) > CIF Al1 C1 P1 C71 -119.75(12) > CIF C2 C1 P1 C61 -42.8(2) > CIF Al1 C1 P1 C61 117.39(11) > CIF C2 C1 P1 C8 -176.39(19) > CIF Al1 C1 P1 C8 -16.21(12) > CIF C1 P1 C61 C66 -86.7(2) > CIF C71 P1 C61 C66 141.75(18) > CIF C8 P1 C61 C66 24.0(2) > CIF C1 P1 C61 C62 88.2(2) > CIF C71 P1 C61 C62 -43.4(2) > CIF C8 P1 C61 C62 -161.09(17) > CIF C66 C61 C62 C63 -0.3(3) > CIF P1 C61 C62 C63 -175.20(18) > CIF C66 C61 C62 C621 179.3(2) > CIF P1 C61 C62 C621 4.4(3) > CIF C61 C62 C63 C64 1.2(4) > CIF C621 C62 C63 C64 -178.5(2) > CIF C62 C63 C64 C65 -1.3(4) > CIF C62 C63 C64 C641 176.4(3) > CIF C63 C64 C65 C66 0.4(4) > CIF C641 C64 C65 C66 -177.2(3) > CIF C64 C65 C66 C61 0.4(4) > CIF C64 C65 C66 C661 -178.6(2) > CIF C62 C61 C66 C65 -0.5(3) > CIF P1 C61 C66 C65 174.36(18) > CIF C62 C61 C66 C661 178.5(2) > CIF P1 C61 C66 C661 -6.7(3) > CIF C1 P1 C71 C76 12.1(2) > CIF C61 P1 C71 C76 134.5(2) > CIF C8 P1 C71 C76 -89.2(2) > CIF C1 P1 C71 C72 -173.70(17) > CIF C61 P1 C71 C72 -51.3(2) > CIF C8 P1 C71 C72 84.98(18) > CIF C76 C71 C72 C73 -1.3(3) > CIF P1 C71 C72 C73 -175.72(18) > CIF C76 C71 C72 C721 178.9(2) > CIF P1 C71 C72 C721 4.5(3) > CIF C71 C72 C73 C74 2.2(4) > CIF C721 C72 C73 C74 -178.0(3) > CIF C72 C73 C74 C75 -1.1(4) > CIF C72 C73 C74 C741 178.1(3) > CIF C73 C74 C75 C76 -0.9(4) > CIF C741 C74 C75 C76 179.9(3) > CIF C74 C75 C76 C71 1.7(4) > CIF C74 C75 C76 C761 -176.1(3) > CIF C72 C71 C76 C75 -0.6(3) > CIF P1 C71 C76 C75 173.52(19) > CIF C72 C71 C76 C761 177.0(2) > CIF P1 C71 C76 C761 -8.9(3) > CIF C4 Al1 O1 C8 -88.89(17) > CIF C5 Al1 O1 C8 146.56(16) > CIF C1 Al1 O1 C8 32.86(16) > CIF Al1 O1 C8 C81 172.14(14) > CIF Al1 O1 C8 P1 -50.09(18) > CIF C1 P1 C8 O1 39.51(16) > CIF C71 P1 C8 O1 162.65(15) > CIF C61 P1 C8 O1 -76.23(19) > CIF C1 P1 C8 C81 175.36(18) > CIF C71 P1 C8 C81 -61.50(19) > CIF C61 P1 C8 C81 59.6(2) > CIF O1 C8 C81 C82 -147.4(2) > CIF P1 C8 C81 C82 79.0(2) > CIF O1 C8 C81 C86 31.0(3) > CIF P1 C8 C81 C86 -102.6(2) > CIF C86 C81 C82 C83 4.3(3) > CIF C8 C81 C82 C83 -177.2(2) > CIF C81 C82 C83 C84 -0.8(4) > CIF C82 C83 C84 C85 -2.4(4) > CIF C83 C84 C85 C86 2.0(4) > CIF C84 C85 C86 C81 1.5(4) > CIF C82 C81 C86 C85 -4.7(3) > CIF C8 C81 C86 C85 176.9(2) > CIF data_compound_3 > CIF _chemical_formula_sum 'C50 H70 Al O P' > CIF _chemical_formula_weight 745.01 > CIF _chemical_name_systematic > CIF ; > CIF ? > CIF ; > CIF _space_group_IT_number 2 > CIF _symmetry_cell_setting triclinic > CIF _symmetry_space_group_name_Hall '-P 1' > CIF _symmetry_space_group_name_H-M 'P -1' > CIF _atom_sites_solution_hydrogens geom > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 102.346(4) > CIF _cell_angle_beta 111.742(5) > CIF _cell_angle_gamma 106.627(5) > CIF _cell_formula_units_Z 2 > CIF _cell_length_a 11.8657(12) > CIF _cell_length_b 14.7612(13) > CIF _cell_length_c 15.6305(12) > CIF _cell_measurement_reflns_used 9984 > CIF _cell_measurement_temperature 153(2) > CIF _cell_measurement_theta_max 28.98 > CIF _cell_measurement_theta_min 2.60 > CIF _cell_volume 2273.9(4) > CIF _computing_cell_refinement 'Bruker SAINT+' > CIF _computing_data_collection 'Bruker SMART' > CIF _computing_data_reduction 'Bruker SHELXTL' > CIF _computing_molecular_graphics 'Bruker SHELXTL' > CIF _computing_publication_material 'Bruker SHELXTL' > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' > CIF _diffrn_ambient_temperature 153(2) > CIF _diffrn_measured_fraction_theta_full 0.990 > CIF _diffrn_measured_fraction_theta_max 0.990 > CIF _diffrn_measurement_device_type 'Apex 2 CCD detector' > CIF _diffrn_measurement_method 'omega scans' > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'sealed tube' > CIF _diffrn_radiation_type MoK\a > CIF _diffrn_radiation_wavelength 0.71073 > CIF _diffrn_reflns_av_R_equivalents 0.0319 > CIF _diffrn_reflns_av_sigmaI/netI 0.0383 > CIF _diffrn_reflns_limit_h_max 16 > CIF _diffrn_reflns_limit_h_min -16 > CIF _diffrn_reflns_limit_k_max 20 > CIF _diffrn_reflns_limit_k_min -20 > CIF _diffrn_reflns_limit_l_max 22 > CIF _diffrn_reflns_limit_l_min -22 > CIF _diffrn_reflns_number 40203 > CIF _diffrn_reflns_theta_full 30.05 > CIF _diffrn_reflns_theta_max 30.05 > CIF _diffrn_reflns_theta_min 2.71 > CIF _exptl_absorpt_coefficient_mu 0.113 > CIF _exptl_absorpt_correction_T_max 0.9777 > CIF _exptl_absorpt_correction_T_min 0.9497 > CIF _exptl_absorpt_correction_type empirical > CIF _exptl_absorpt_process_details SADABS > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.088 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description block > CIF _exptl_crystal_F_000 812 > CIF _exptl_crystal_size_max 0.46 > CIF _exptl_crystal_size_mid 0.23 > CIF _exptl_crystal_size_min 0.20 > CIF _refine_diff_density_max 0.408 > CIF _refine_diff_density_min -0.293 > CIF _refine_diff_density_rms > CIF '0.058 =========================================================================================================================== Compound 7' > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.058 > CIF _refine_ls_hydrogen_treatment constr. > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 539 > CIF _refine_ls_number_reflns 13179 > CIF _refine_ls_number_restraints 150 > CIF _refine_ls_restrained_S_all 1.057 > CIF _refine_ls_R_factor_all 0.0622 > CIF _refine_ls_R_factor_gt 0.0459 > CIF _refine_ls_shift/su_max 0.011 > CIF _refine_ls_shift/su_mean 0.000 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0679P)^2^+0.5503P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1238 > CIF _refine_ls_wR_factor_ref 0.1370 > CIF _reflns_number_gt 10230 > CIF _reflns_number_total 13179 > CIF _reflns_threshold_expression >2sigma(I) > CIF _cod_data_source_file om400620h_si_001.cif > CIF _cod_data_source_block compound_3 > CIF _cod_original_sg_symbol_H-M P-1 > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, -y, -z' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF _atom_site_refinement_flags > CIF _atom_site_disorder_assembly > CIF _atom_site_disorder_group > CIF C1 C 0.45950(12) 0.86946(9) 0.23276(9) 0.0187(2) Uani 1 1 d . . . > CIF C2 C 0.54235(12) 0.95771(9) 0.30737(9) 0.0205(2) Uani 1 1 d . . . > CIF H2 H 0.5208 1.0156 0.3068 0.025 Uiso 1 1 calc R . . > CIF C31 C 0.66485(12) 0.97058(10) 0.39030(9) 0.0219(2) Uani 1 1 d . . . > CIF C32 C 0.66678(14) 0.89423(11) 0.42879(10) 0.0286(3) Uani 1 1 d . . . > CIF H32 H 0.5887 0.8326 0.3998 0.034 Uiso 1 1 calc R . . > CIF C33 C 0.77969(16) 0.90573(13) 0.50843(12) 0.0369(3) Uani 1 1 d . . . > CIF H33 H 0.7795 0.8523 0.5343 0.044 Uiso 1 1 calc R . . > CIF C34 C 0.89242(15) 0.99395(14) 0.55068(12) 0.0382(4) Uani 1 1 d . . . > CIF H34 H 0.9706 1.0020 0.6060 0.046 Uiso 1 1 calc R . . > CIF C35 C 0.89258(14) 1.07075(13) 0.51321(11) 0.0339(3) Uani 1 1 d . . . > CIF H35 H 0.9716 1.1316 0.5418 0.041 Uiso 1 1 calc R . . > CIF C36 C 0.77898(13) 1.06020(11) 0.43442(10) 0.0275(3) Uani 1 1 d . . . > CIF H36 H 0.7788 1.1147 0.4101 0.033 Uiso 1 1 calc R . . > CIF Al1 Al 0.48742(4) 0.74261(3) 0.17802(3) 0.01934(9) Uani 1 1 d . . . > CIF C41 C 0.65328(14) 0.77615(11) 0.16135(11) 0.0284(3) Uani 1 1 d . . . > CIF C411 C 0.78163(15) 0.80877(14) 0.25551(13) 0.0393(4) Uani 1 1 d . . . > CIF H41A H 0.8544 0.8192 0.2400 0.047 Uiso 1 1 calc R . . > CIF H41B H 0.7745 0.7569 0.2837 0.047 Uiso 1 1 calc R . . > CIF H41C H 0.7967 0.8707 0.3020 0.047 Uiso 1 1 calc R . . > CIF C412 C 0.63815(17) 0.68117(14) 0.08650(13) 0.0409(4) Uani 1 1 d . . . > CIF H41D H 0.5596 0.6603 0.0257 0.049 Uiso 1 1 calc R . . > CIF H41E H 0.6314 0.6276 0.1124 0.049 Uiso 1 1 calc R . . > CIF H41F H 0.7141 0.6964 0.0746 0.049 Uiso 1 1 calc R . . > CIF C413 C 0.66876(18) 0.86020(14) 0.11869(15) 0.0439(4) Uani 1 1 d . . . > CIF H41G H 0.6851 0.9220 0.1660 0.053 Uiso 1 1 calc R . . > CIF H41H H 0.5890 0.8416 0.0594 0.053 Uiso 1 1 calc R . . > CIF H41I H 0.7419 0.8699 0.1038 0.053 Uiso 1 1 calc R . . > CIF C51 C 0.43706(14) 0.62260(10) 0.21889(11) 0.0280(3) Uani 1 1 d . . . > CIF C511 C 0.55578(17) 0.60760(13) 0.28808(14) 0.0409(4) Uani 1 1 d . . . > CIF H51A H 0.5245 0.5474 0.3016 0.049 Uiso 1 1 calc R . . > CIF H51B H 0.6061 0.6650 0.3488 0.049 Uiso 1 1 calc R . . > CIF H51C H 0.6109 0.6010 0.2572 0.049 Uiso 1 1 calc R . . > CIF C512 C 0.34752(17) 0.62589(13) 0.26785(14) 0.0405(4) Uani 1 1 d . . . > CIF H51D H 0.2677 0.6279 0.2230 0.049 Uiso 1 1 calc R . . > CIF H51E H 0.3929 0.6853 0.3266 0.049 Uiso 1 1 calc R . . > CIF H51F H 0.3257 0.5666 0.2847 0.049 Uiso 1 1 calc R . . > CIF C513 C 0.3582(2) 0.52873(12) 0.12388(14) 0.0472(4) Uani 1 1 d . . . > CIF H51G H 0.3258 0.4700 0.1390 0.057 Uiso 1 1 calc R . . > CIF H51H H 0.4147 0.5203 0.0948 0.057 Uiso 1 1 calc R . . > CIF H51I H 0.2848 0.5371 0.0783 0.057 Uiso 1 1 calc R . . > CIF P1 P 0.30287(3) 0.85647(2) 0.14282(2) 0.01719(8) Uani 1 1 d . . . > CIF C61 C 0.28444(12) 0.97393(9) 0.13734(9) 0.0196(2) Uani 1 1 d . . . > CIF C62 C 0.17205(14) 0.99264(10) 0.13440(11) 0.0263(3) Uani 1 1 d . . . > CIF C63 C 0.17226(15) 1.08721(11) 0.13486(12) 0.0316(3) Uani 1 1 d . . . > CIF H63 H 0.0973 1.1006 0.1339 0.038 Uiso 1 1 calc R . . > CIF C64 C 0.27477(16) 1.16279(11) 0.13656(11) 0.0313(3) Uani 1 1 d . . . > CIF C65 C 0.38043(15) 1.14156(10) 0.13558(11) 0.0278(3) Uani 1 1 d . . . > CIF H65 H 0.4517 1.1926 0.1354 0.033 Uiso 1 1 calc R . . > CIF C66 C 0.38739(13) 1.04891(9) 0.13490(9) 0.0216(2) Uani 1 1 d . . . > CIF C621 C 0.04872(16) 0.91784(13) 0.12662(15) 0.0416(4) Uani 1 1 d . . . > CIF H62A H 0.0224 0.8532 0.0786 0.050 Uiso 1 1 calc R . . > CIF H62B H -0.0211 0.9412 0.1067 0.050 Uiso 1 1 calc R . . > CIF H62C H 0.0662 0.9114 0.1896 0.050 Uiso 1 1 calc R . . > CIF C641 C 0.2701(2) 1.26366(12) 0.13636(15) 0.0463(4) Uani 1 1 d . . . > CIF H64A H 0.2015 1.2711 0.1521 0.056 Uiso 1 1 calc R . . > CIF H64B H 0.2518 1.2671 0.0722 0.056 Uiso 1 1 calc R . . > CIF H64C H 0.3539 1.3171 0.1846 0.056 Uiso 1 1 calc R . . > CIF C661 C 0.50360(14) 1.03454(10) 0.12553(11) 0.0264(3) Uani 1 1 d . . . > CIF H66A H 0.5791 1.0632 0.1896 0.032 Uiso 1 1 calc R . . > CIF H66B H 0.5240 1.0678 0.0834 0.032 Uiso 1 1 calc R . . > CIF H66C H 0.4817 0.9635 0.0977 0.032 Uiso 1 1 calc R . . > CIF C71 C 0.18149(12) 0.77752(9) 0.17025(10) 0.0213(2) Uani 1 1 d . . . > CIF C72 C 0.19997(13) 0.80829(10) 0.26826(10) 0.0246(3) Uani 1 1 d . . . > CIF C73 C 0.11629(15) 0.74547(11) 0.29392(12) 0.0307(3) Uani 1 1 d . . . > CIF H73 H 0.1308 0.7659 0.3610 0.037 Uiso 1 1 calc R . . > CIF C74 C 0.01301(15) 0.65463(11) 0.22626(13) 0.0331(3) Uani 1 1 d . . . > CIF C75 C -0.00743(14) 0.62773(11) 0.12983(12) 0.0319(3) Uani 1 1 d . . . > CIF H75 H -0.0807 0.5659 0.0818 0.038 Uiso 1 1 calc R . . > CIF C76 C 0.07365(13) 0.68640(10) 0.09898(11) 0.0264(3) Uani 1 1 d . . . > CIF C721 C 0.30112(15) 0.90882(11) 0.34813(11) 0.0318(3) Uani 1 1 d . . . > CIF H72A H 0.2683 0.9291 0.3933 0.038 Uiso 1 1 calc R . . > CIF H72B H 0.3170 0.9590 0.3189 0.038 Uiso 1 1 calc R . . > CIF H72C H 0.3824 0.9023 0.3830 0.038 Uiso 1 1 calc R . . > CIF C741 C -0.0778(2) 0.58922(14) 0.25573(17) 0.0490(5) Uani 1 1 d . . . > CIF H74A H -0.1475 0.6116 0.2514 0.059 Uiso 1 1 calc R . . > CIF H74B H -0.0284 0.5944 0.3223 0.059 Uiso 1 1 calc R . . > CIF H74C H -0.1155 0.5200 0.2123 0.059 Uiso 1 1 calc R . . > CIF C761 C 0.03520(15) 0.64842(12) -0.00921(12) 0.0377(4) Uani 1 1 d . . . > CIF H76A H 0.0349 0.7027 -0.0337 0.045 Uiso 1 1 calc R . . > CIF H76B H -0.0517 0.5945 -0.0442 0.045 Uiso 1 1 calc R . . > CIF H76C H 0.0978 0.6237 -0.0188 0.045 Uiso 1 1 calc R . . > CIF O1 O 0.35229(9) 0.71325(7) 0.05735(7) 0.02248(19) Uani 1 1 d . . . > CIF C8 C 0.30187(12) 0.77971(9) 0.03367(9) 0.0193(2) Uani 1 1 d . . . > CIF C81 C 0.25675(12) 0.78298(9) -0.05882(9) 0.0203(2) Uani 1 1 d . . . > CIF C82 C 0.27036(13) 0.71491(10) -0.13302(10) 0.0238(3) Uani 1 1 d . . . > CIF H82 H 0.3208 0.6760 -0.1129 0.029 Uiso 1 1 calc R . . > CIF C83 C 0.21545(14) 0.70454(11) -0.22794(10) 0.0273(3) Uani 1 1 d . . . > CIF H83 H 0.2306 0.6598 -0.2727 0.033 Uiso 1 1 calc R . . > CIF C84 C 0.13132(14) 0.75880(11) -0.26886(10) 0.0274(3) Uani 1 1 d . . . > CIF H84 H 0.1701 0.7942 -0.3025 0.033 Uiso 1 1 calc R . . > CIF C85 C 0.13593(15) 0.83736(11) -0.18756(11) 0.0294(3) Uani 1 1 d . . . > CIF H85 H 0.0972 0.8838 -0.2047 0.035 Uiso 1 1 calc R . . > CIF C86 C 0.19046(14) 0.84692(10) -0.09270(10) 0.0261(3) Uani 1 1 d . . . > CIF H86 H 0.1858 0.8974 -0.0455 0.031 Uiso 1 1 calc R . . > CIF C91 C -0.01429(15) 0.68386(12) -0.34761(11) 0.0328(3) Uani 1 1 d . . . > CIF C911 C -0.08380(18) 0.62486(14) -0.29988(15) 0.0467(4) Uani 1 1 d . . . > CIF H91A H -0.1725 0.5794 -0.3486 0.056 Uiso 1 1 calc R . . > CIF H91B H -0.0867 0.6712 -0.2481 0.056 Uiso 1 1 calc R . . > CIF H91C H -0.0361 0.5868 -0.2728 0.056 Uiso 1 1 calc R . . > CIF C912 C -0.08951(19) 0.74414(16) -0.39067(14) 0.0511(5) Uani 1 1 d . . . > CIF H91D H -0.0408 0.7864 -0.4148 0.061 Uiso 1 1 calc R . . > CIF H91E H -0.1002 0.7857 -0.3404 0.061 Uiso 1 1 calc R . . > CIF H91F H -0.1751 0.6984 -0.4440 0.061 Uiso 1 1 calc R . . > CIF C913 C -0.0111(2) 0.61045(17) -0.43080(13) 0.0543(5) Uani 1 1 d . . . > CIF H91G H -0.0999 0.5691 -0.4819 0.065 Uiso 1 1 calc R . . > CIF H91H H 0.0299 0.5680 -0.4056 0.065 Uiso 1 1 calc R . . > CIF H91I H 0.0389 0.6480 -0.4573 0.065 Uiso 1 1 calc R . . > CIF C01 C 0.5442(9) 0.3928(6) 0.4430(7) 0.071(2) Uani 0.583(6) 1 d PDU A 1 > CIF H01A H 0.4959 0.4297 0.4141 0.085 Uiso 0.583(6) 1 calc PR A 1 > CIF H01B H 0.6045 0.4334 0.5111 0.085 Uiso 0.583(6) 1 calc PR A 1 > CIF C02 C 0.4508(6) 0.2920(5) 0.4329(4) 0.0531(13) Uani 0.583(6) 1 d PDU A 1 > CIF H02A H 0.4341 0.2983 0.4890 0.064 Uiso 0.583(6) 1 calc PR A 1 > CIF H02B H 0.3679 0.2665 0.3742 0.064 Uiso 0.583(6) 1 calc PR A 1 > CIF C03 C 0.5231(10) 0.2232(6) 0.4270(8) 0.083(3) Uani 0.583(6) 1 d PDU A 1 > CIF H03A H 0.5543 0.2097 0.4870 0.099 Uiso 0.583(6) 1 calc PR A 1 > CIF H03B H 0.4649 0.1600 0.3731 0.099 Uiso 0.583(6) 1 calc PR A 1 > CIF C04 C 0.6359(8) 0.2760(5) 0.4117(6) 0.0723(18) Uani 0.583(6) 1 d PDU A 1 > CIF H04A H 0.6382 0.2315 0.3583 0.087 Uiso 0.583(6) 1 calc PR A 1 > CIF H04B H 0.7178 0.2981 0.4703 0.087 Uiso 0.583(6) 1 calc PR A 1 > CIF C05 C 0.6173(4) 0.3645(3) 0.3880(4) 0.0550(12) Uani 0.583(6) 1 d PDU A 1 > CIF H05A H 0.5658 0.3466 0.3183 0.066 Uiso 0.583(6) 1 calc PR A 1 > CIF H05B H 0.7010 0.4192 0.4107 0.066 Uiso 0.583(6) 1 calc PR A 1 > CIF C01A C 0.6119(12) 0.2438(7) 0.4331(11) 0.106(5) Uani 0.417(6) 1 d PDU A 2 > CIF H01C H 0.6472 0.2112 0.4771 0.127 Uiso 0.417(6) 1 calc PR A 2 > CIF H01D H 0.6158 0.2178 0.3729 0.127 Uiso 0.417(6) 1 calc PR A 2 > CIF C02A C 0.4717(9) 0.2263(8) 0.4127(7) 0.079(4) Uani 0.417(6) 1 d PDU A 2 > CIF H02C H 0.4507 0.2008 0.4589 0.095 Uiso 0.417(6) 1 calc PR A 2 > CIF H02D H 0.4101 0.1790 0.3471 0.095 Uiso 0.417(6) 1 calc PR A 2 > CIF C03A C 0.4677(11) 0.3311(11) 0.4248(11) 0.119(5) Uani 0.417(6) 1 d PDU A 2 > CIF H03C H 0.3938 0.3274 0.3687 0.143 Uiso 0.417(6) 1 calc PR A 2 > CIF H03D H 0.4597 0.3569 0.4831 0.143 Uiso 0.417(6) 1 calc PR A 2 > CIF C04A C 0.5900(12) 0.3947(9) 0.4324(12) 0.108(5) Uani 0.417(6) 1 d PDU A 2 > CIF H04C H 0.6181 0.4635 0.4733 0.130 Uiso 0.417(6) 1 calc PR A 2 > CIF H04D H 0.5814 0.3929 0.3685 0.130 Uiso 0.417(6) 1 calc PR A 2 > CIF C05A C 0.6848(6) 0.3515(5) 0.4777(6) 0.076(2) Uani 0.417(6) 1 d PDU A 2 > CIF H05C H 0.7592 0.3719 0.4645 0.092 Uiso 0.417(6) 1 calc PR A 2 > CIF H05D H 0.7165 0.3736 0.5478 0.092 Uiso 0.417(6) 1 calc PR A 2 > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF C1 0.0173(5) 0.0184(5) 0.0206(6) 0.0075(5) 0.0085(5) 0.0071(4) > CIF C2 0.0197(6) 0.0201(6) 0.0209(6) 0.0064(5) 0.0090(5) 0.0082(5) > CIF C31 0.0183(6) 0.0244(6) 0.0190(6) 0.0025(5) 0.0080(5) 0.0080(5) > CIF C32 0.0244(7) 0.0272(7) 0.0271(7) 0.0069(5) 0.0065(5) 0.0104(5) > CIF C33 0.0323(8) 0.0420(9) 0.0338(8) 0.0142(7) 0.0081(6) 0.0204(7) > CIF C34 0.0230(7) 0.0547(10) 0.0290(7) 0.0070(7) 0.0061(6) 0.0190(7) > CIF C35 0.0168(6) 0.0420(8) 0.0281(7) -0.0001(6) 0.0088(5) 0.0035(6) > CIF C36 0.0218(6) 0.0297(7) 0.0237(6) 0.0033(5) 0.0112(5) 0.0042(5) > CIF Al1 0.01775(18) 0.01695(17) 0.02095(19) 0.00591(14) 0.00613(14) 0.00820(14) > CIF C41 0.0246(7) 0.0310(7) 0.0327(7) 0.0093(6) 0.0144(6) 0.0153(6) > CIF C411 0.0214(7) 0.0487(9) 0.0401(9) 0.0054(7) 0.0115(6) 0.0149(7) > CIF C412 0.0389(9) 0.0460(9) 0.0385(9) 0.0056(7) 0.0190(7) 0.0236(8) > CIF C413 0.0397(9) 0.0489(10) 0.0684(12) 0.0328(9) 0.0383(9) 0.0248(8) > CIF C51 0.0276(7) 0.0209(6) 0.0326(7) 0.0122(6) 0.0087(6) 0.0109(5) > CIF C511 0.0401(9) 0.0424(9) 0.0496(10) 0.0288(8) 0.0168(8) 0.0250(7) > CIF C512 0.0385(9) 0.0368(8) 0.0581(11) 0.0303(8) 0.0254(8) 0.0170(7) > CIF C513 0.0538(11) 0.0206(7) 0.0470(10) 0.0102(7) 0.0095(8) 0.0079(7) > CIF P1 0.01561(15) 0.01488(14) 0.01952(15) 0.00539(11) 0.00690(12) 0.00627(11) > CIF C61 0.0206(6) 0.0167(5) 0.0210(6) 0.0063(4) 0.0086(5) 0.0086(5) > CIF C62 0.0248(7) 0.0256(6) 0.0317(7) 0.0115(6) 0.0131(6) 0.0136(5) > CIF C63 0.0338(8) 0.0304(7) 0.0393(8) 0.0145(6) 0.0175(6) 0.0220(6) > CIF C64 0.0403(8) 0.0233(6) 0.0326(7) 0.0108(6) 0.0149(6) 0.0179(6) > CIF C65 0.0343(7) 0.0189(6) 0.0294(7) 0.0095(5) 0.0142(6) 0.0097(5) > CIF C66 0.0249(6) 0.0182(5) 0.0198(6) 0.0057(5) 0.0095(5) 0.0080(5) > CIF C621 0.0265(8) 0.0403(9) 0.0734(12) 0.0301(9) 0.0270(8) 0.0218(7) > CIF C641 0.0588(11) 0.0291(8) 0.0605(11) 0.0213(8) 0.0267(9) 0.0277(8) > CIF C661 0.0269(7) 0.0226(6) 0.0322(7) 0.0104(5) 0.0170(6) 0.0083(5) > CIF C71 0.0182(6) 0.0183(5) 0.0276(6) 0.0086(5) 0.0104(5) 0.0076(5) > CIF C72 0.0235(6) 0.0238(6) 0.0298(7) 0.0092(5) 0.0149(5) 0.0107(5) > CIF C73 0.0341(8) 0.0316(7) 0.0381(8) 0.0169(6) 0.0236(7) 0.0163(6) > CIF C74 0.0310(8) 0.0271(7) 0.0537(10) 0.0211(7) 0.0268(7) 0.0139(6) > CIF C75 0.0235(7) 0.0203(6) 0.0475(9) 0.0108(6) 0.0157(6) 0.0050(5) > CIF C76 0.0194(6) 0.0213(6) 0.0338(7) 0.0078(5) 0.0101(5) 0.0063(5) > CIF C721 0.0317(8) 0.0315(7) 0.0293(7) 0.0033(6) 0.0192(6) 0.0075(6) > CIF C741 0.0505(11) 0.0378(9) 0.0810(14) 0.0342(10) 0.0455(11) 0.0178(8) > CIF C761 0.0232(7) 0.0336(8) 0.0331(8) 0.0012(6) 0.0076(6) -0.0044(6) > CIF O1 0.0249(5) 0.0181(4) 0.0210(4) 0.0048(3) 0.0060(4) 0.0120(4) > CIF C8 0.0177(6) 0.0171(5) 0.0207(6) 0.0052(4) 0.0070(5) 0.0076(4) > CIF C81 0.0185(6) 0.0183(5) 0.0205(6) 0.0059(5) 0.0062(5) 0.0071(4) > CIF C82 0.0229(6) 0.0241(6) 0.0241(6) 0.0074(5) 0.0097(5) 0.0116(5) > CIF C83 0.0278(7) 0.0302(7) 0.0248(6) 0.0084(5) 0.0125(5) 0.0135(6) > CIF C84 0.0287(7) 0.0303(7) 0.0235(6) 0.0129(5) 0.0109(5) 0.0115(6) > CIF C85 0.0325(7) 0.0258(6) 0.0284(7) 0.0116(6) 0.0093(6) 0.0149(6) > CIF C86 0.0303(7) 0.0227(6) 0.0246(6) 0.0070(5) 0.0098(5) 0.0147(5) > CIF C91 0.0278(7) 0.0354(8) 0.0275(7) 0.0074(6) 0.0069(6) 0.0128(6) > CIF C911 0.0310(9) 0.0430(9) 0.0562(11) 0.0153(8) 0.0167(8) 0.0081(7) > CIF C912 0.0418(10) 0.0632(12) 0.0399(10) 0.0187(9) 0.0053(8) 0.0279(9) > CIF C913 0.0443(11) 0.0620(12) 0.0314(9) -0.0052(8) 0.0050(8) 0.0208(9) > CIF C01 0.105(6) 0.051(3) 0.092(4) 0.028(3) 0.073(5) 0.040(3) > CIF C02 0.049(2) 0.066(3) 0.044(2) 0.013(2) 0.0299(19) 0.016(2) > CIF C03 0.132(7) 0.059(4) 0.117(7) 0.044(4) 0.097(6) 0.058(5) > CIF C04 0.070(4) 0.079(5) 0.092(4) 0.036(4) 0.046(3) 0.049(4) > CIF C05 0.055(2) 0.042(2) 0.070(3) 0.0113(17) 0.040(2) 0.0126(16) > CIF C01A 0.080(6) 0.056(5) 0.130(10) 0.011(5) 0.006(6) 0.031(5) > CIF C02A 0.070(5) 0.080(6) 0.038(3) 0.011(4) 0.019(3) -0.021(4) > CIF C03A 0.057(6) 0.131(10) 0.131(9) -0.003(8) 0.022(5) 0.051(6) > CIF C04A 0.098(8) 0.059(5) 0.145(11) 0.045(7) 0.030(7) 0.029(5) > CIF C05A 0.043(3) 0.076(4) 0.103(5) 0.022(4) 0.035(3) 0.021(3) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF C2 C1 P1 120.44(9) > CIF C2 C1 Al1 131.80(10) > CIF P1 C1 Al1 106.49(6) > CIF C1 C2 C31 123.37(11) > CIF C1 C2 H2 118.3 > CIF C31 C2 H2 118.3 > CIF C32 C31 C36 118.60(12) > CIF C32 C31 C2 119.90(12) > CIF C36 C31 C2 121.44(12) > CIF C33 C32 C31 120.93(14) > CIF C33 C32 H32 119.5 > CIF C31 C32 H32 119.5 > CIF C34 C33 C32 120.04(15) > CIF C34 C33 H33 120.0 > CIF C32 C33 H33 120.0 > CIF C33 C34 C35 119.88(14) > CIF C33 C34 H34 120.1 > CIF C35 C34 H34 120.1 > CIF C34 C35 C36 120.26(14) > CIF C34 C35 H35 119.9 > CIF C36 C35 H35 119.9 > CIF C35 C36 C31 120.25(14) > CIF C35 C36 H36 119.9 > CIF C31 C36 H36 119.9 > CIF O1 Al1 C41 105.97(6) > CIF O1 Al1 C51 106.74(5) > CIF C41 Al1 C51 116.72(6) > CIF O1 Al1 C1 89.46(5) > CIF C41 Al1 C1 112.67(6) > CIF C51 Al1 C1 120.18(6) > CIF C413 C41 C411 107.87(14) > CIF C413 C41 C412 107.57(14) > CIF C411 C41 C412 107.72(12) > CIF C413 C41 Al1 110.31(10) > CIF C411 C41 Al1 115.18(10) > CIF C412 C41 Al1 107.92(10) > CIF C41 C411 H41A 109.5 > CIF C41 C411 H41B 109.5 > CIF H41A C411 H41B 109.5 > CIF C41 C411 H41C 109.5 > CIF H41A C411 H41C 109.5 > CIF H41B C411 H41C 109.5 > CIF C41 C412 H41D 109.5 > CIF C41 C412 H41E 109.5 > CIF H41D C412 H41E 109.5 > CIF C41 C412 H41F 109.5 > CIF H41D C412 H41F 109.5 > CIF H41E C412 H41F 109.5 > CIF C41 C413 H41G 109.5 > CIF C41 C413 H41H 109.5 > CIF H41G C413 H41H 109.5 > CIF C41 C413 H41I 109.5 > CIF H41G C413 H41I 109.5 > CIF H41H C413 H41I 109.5 > CIF C512 C51 C513 107.28(14) > CIF C512 C51 C511 107.77(13) > CIF C513 C51 C511 107.77(13) > CIF C512 C51 Al1 113.17(10) > CIF C513 C51 Al1 106.41(10) > CIF C511 C51 Al1 114.10(10) > CIF C51 C511 H51A 109.5 > CIF C51 C511 H51B 109.5 > CIF H51A C511 H51B 109.5 > CIF C51 C511 H51C 109.5 > CIF H51A C511 H51C 109.5 > CIF H51B C511 H51C 109.5 > CIF C51 C512 H51D 109.5 > CIF C51 C512 H51E 109.5 > CIF H51D C512 H51E 109.5 > CIF C51 C512 H51F 109.5 > CIF H51D C512 H51F 109.5 > CIF H51E C512 H51F 109.5 > CIF C51 C513 H51G 109.5 > CIF C51 C513 H51H 109.5 > CIF H51G C513 H51H 109.5 > CIF C51 C513 H51I 109.5 > CIF H51G C513 H51I 109.5 > CIF H51H C513 H51I 109.5 > CIF C1 P1 C71 104.36(6) > CIF C1 P1 C61 116.31(6) > CIF C71 P1 C61 112.85(6) > CIF C1 P1 C8 97.77(6) > CIF C71 P1 C8 109.15(6) > CIF C61 P1 C8 114.96(6) > CIF C66 C61 C62 119.16(11) > CIF C66 C61 P1 117.45(9) > CIF C62 C61 P1 123.39(10) > CIF C63 C62 C61 117.99(13) > CIF C63 C62 C621 115.99(12) > CIF C61 C62 C621 125.97(12) > CIF C64 C63 C62 123.41(13) > CIF C64 C63 H63 118.3 > CIF C62 C63 H63 118.3 > CIF C65 C64 C63 117.57(13) > CIF C65 C64 C641 120.94(15) > CIF C63 C64 C641 121.47(14) > CIF C64 C65 C66 122.43(13) > CIF C64 C65 H65 118.8 > CIF C66 C65 H65 118.8 > CIF C65 C66 C61 119.33(12) > CIF C65 C66 C661 115.92(12) > CIF C61 C66 C661 124.66(11) > CIF C62 C621 H62A 109.5 > CIF C62 C621 H62B 109.5 > CIF H62A C621 H62B 109.5 > CIF C62 C621 H62C 109.5 > CIF H62A C621 H62C 109.5 > CIF H62B C621 H62C 109.5 > CIF C64 C641 H64A 109.5 > CIF C64 C641 H64B 109.5 > CIF H64A C641 H64B 109.5 > CIF C64 C641 H64C 109.5 > CIF H64A C641 H64C 109.5 > CIF H64B C641 H64C 109.5 > CIF C66 C661 H66A 109.5 > CIF C66 C661 H66B 109.5 > CIF H66A C661 H66B 109.5 > CIF C66 C661 H66C 109.5 > CIF H66A C661 H66C 109.5 > CIF H66B C661 H66C 109.5 > CIF C72 C71 C76 119.38(12) > CIF C72 C71 P1 117.60(10) > CIF C76 C71 P1 122.98(10) > CIF C73 C72 C71 119.18(13) > CIF C73 C72 C721 116.17(13) > CIF C71 C72 C721 124.57(12) > CIF C74 C73 C72 122.34(14) > CIF C74 C73 H73 118.8 > CIF C72 C73 H73 118.8 > CIF C75 C74 C73 117.80(13) > CIF C75 C74 C741 121.01(15) > CIF C73 C74 C741 121.15(16) > CIF C74 C75 C76 123.00(14) > CIF C74 C75 H75 118.5 > CIF C76 C75 H75 118.5 > CIF C75 C76 C71 118.19(14) > CIF C75 C76 C761 116.43(13) > CIF C71 C76 C761 125.34(13) > CIF C72 C721 H72A 109.5 > CIF C72 C721 H72B 109.5 > CIF H72A C721 H72B 109.5 > CIF C72 C721 H72C 109.5 > CIF H72A C721 H72C 109.5 > CIF H72B C721 H72C 109.5 > CIF C74 C741 H74A 109.5 > CIF C74 C741 H74B 109.5 > CIF H74A C741 H74B 109.5 > CIF C74 C741 H74C 109.5 > CIF H74A C741 H74C 109.5 > CIF H74B C741 H74C 109.5 > CIF C76 C761 H76A 109.5 > CIF C76 C761 H76B 109.5 > CIF H76A C761 H76B 109.5 > CIF C76 C761 H76C 109.5 > CIF H76A C761 H76C 109.5 > CIF H76B C761 H76C 109.5 > CIF C8 O1 Al1 123.13(8) > CIF O1 C8 C81 122.44(11) > CIF O1 C8 P1 108.49(9) > CIF C81 C8 P1 129.05(10) > CIF C8 C81 C82 118.49(11) > CIF C8 C81 C86 125.80(12) > CIF C82 C81 C86 115.67(11) > CIF C83 C82 C81 122.47(12) > CIF C83 C82 H82 118.8 > CIF C81 C82 H82 118.8 > CIF C82 C83 C84 123.78(13) > CIF C82 C83 H83 118.1 > CIF C84 C83 H83 118.1 > CIF C85 C84 C83 110.96(11) > CIF C85 C84 C91 112.64(12) > CIF C83 C84 C91 112.46(12) > CIF C85 C84 H84 106.8 > CIF C83 C84 H84 106.8 > CIF C91 C84 H84 106.8 > CIF C86 C85 C84 124.23(13) > CIF C86 C85 H85 117.9 > CIF C84 C85 H85 117.9 > CIF C85 C86 C81 121.91(13) > CIF C85 C86 H86 119.0 > CIF C81 C86 H86 119.0 > CIF C912 C91 C911 109.70(15) > CIF C912 C91 C913 108.60(15) > CIF C911 C91 C913 109.67(15) > CIF C912 C91 C84 109.09(13) > CIF C911 C91 C84 110.21(13) > CIF C913 C91 C84 109.54(13) > CIF C91 C911 H91A 109.5 > CIF C91 C911 H91B 109.5 > CIF H91A C911 H91B 109.5 > CIF C91 C911 H91C 109.5 > CIF H91A C911 H91C 109.5 > CIF H91B C911 H91C 109.5 > CIF C91 C912 H91D 109.5 > CIF C91 C912 H91E 109.5 > CIF H91D C912 H91E 109.5 > CIF C91 C912 H91F 109.5 > CIF H91D C912 H91F 109.5 > CIF H91E C912 H91F 109.5 > CIF C91 C913 H91G 109.5 > CIF C91 C913 H91H 109.5 > CIF H91G C913 H91H 109.5 > CIF C91 C913 H91I 109.5 > CIF H91G C913 H91I 109.5 > CIF H91H C913 H91I 109.5 > CIF C05 C01 C02 104.1(5) > CIF C05 C01 H01A 110.9 > CIF C02 C01 H01A 110.9 > CIF C05 C01 H01B 110.9 > CIF C02 C01 H01B 110.9 > CIF H01A C01 H01B 109.0 > CIF C03 C02 C01 104.3(6) > CIF C03 C02 H02A 110.9 > CIF C01 C02 H02A 110.9 > CIF C03 C02 H02B 110.9 > CIF C01 C02 H02B 110.9 > CIF H02A C02 H02B 108.9 > CIF C04 C03 C02 107.3(5) > CIF C04 C03 H03A 110.3 > CIF C02 C03 H03A 110.3 > CIF C04 C03 H03B 110.3 > CIF C02 C03 H03B 110.3 > CIF H03A C03 H03B 108.5 > CIF C03 C04 C05 107.3(5) > CIF C03 C04 H04A 110.2 > CIF C05 C04 H04A 110.2 > CIF C03 C04 H04B 110.2 > CIF C05 C04 H04B 110.2 > CIF H04A C04 H04B 108.5 > CIF C04 C05 C01 103.3(5) > CIF C04 C05 H05A 111.1 > CIF C01 C05 H05A 111.1 > CIF C04 C05 H05B 111.1 > CIF C01 C05 H05B 111.1 > CIF H05A C05 H05B 109.1 > CIF C05A C01A C02A 105.3(8) > CIF C05A C01A H01C 110.7 > CIF C02A C01A H01C 110.7 > CIF C05A C01A H01D 110.7 > CIF C02A C01A H01D 110.7 > CIF H01C C01A H01D 108.8 > CIF C01A C02A C03A 104.6(8) > CIF C01A C02A H02C 110.8 > CIF C03A C02A H02C 110.8 > CIF C01A C02A H02D 110.8 > CIF C03A C02A H02D 110.8 > CIF H02C C02A H02D 108.9 > CIF C04A C03A C02A 105.8(8) > CIF C04A C03A H03C 110.6 > CIF C02A C03A H03C 110.6 > CIF C04A C03A H03D 110.6 > CIF C02A C03A H03D 110.6 > CIF H03C C03A H03D 108.7 > CIF C03A C04A C05A 104.4(9) > CIF C03A C04A H04C 110.9 > CIF C05A C04A H04C 110.9 > CIF C03A C04A H04D 110.9 > CIF C05A C04A H04D 110.9 > CIF H04C C04A H04D 108.9 > CIF C01A C05A C04A 105.5(7) > CIF C01A C05A H05C 110.6 > CIF C04A C05A H05C 110.6 > CIF C01A C05A H05D 110.6 > CIF C04A C05A H05D 110.6 > CIF H05C C05A H05D 108.8 > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF C1 C2 1.3386(17) > CIF C1 P1 1.7924(13) > CIF C1 Al1 2.0562(13) > CIF C2 C31 1.4730(17) > CIF C2 H2 0.9600 > CIF C31 C32 1.3883(19) > CIF C31 C36 1.3972(18) > CIF C32 C33 1.385(2) > CIF C32 H32 0.9600 > CIF C33 C34 1.379(2) > CIF C33 H33 0.9600 > CIF C34 C35 1.383(2) > CIF C34 H34 0.9600 > CIF C35 C36 1.388(2) > CIF C35 H35 0.9600 > CIF C36 H36 0.9600 > CIF Al1 O1 1.8244(10) > CIF Al1 C41 2.0158(15) > CIF Al1 C51 2.0160(14) > CIF C41 C413 1.527(2) > CIF C41 C411 1.528(2) > CIF C41 C412 1.538(2) > CIF C411 H41A 0.9599 > CIF C411 H41B 0.9599 > CIF C411 H41C 0.9599 > CIF C412 H41D 0.9599 > CIF C412 H41E 0.9599 > CIF C412 H41F 0.9599 > CIF C413 H41G 0.9599 > CIF C413 H41H 0.9599 > CIF C413 H41I 0.9599 > CIF C51 C512 1.527(2) > CIF C51 C513 1.533(2) > CIF C51 C511 1.535(2) > CIF C511 H51A 0.9599 > CIF C511 H51B 0.9599 > CIF C511 H51C 0.9599 > CIF C512 H51D 0.9599 > CIF C512 H51E 0.9599 > CIF C512 H51F 0.9599 > CIF C513 H51G 0.9599 > CIF C513 H51H 0.9599 > CIF C513 H51I 0.9599 > CIF P1 C71 1.8240(13) > CIF P1 C61 1.8241(12) > CIF P1 C8 1.8291(13) > CIF C61 C66 1.4133(17) > CIF C61 C62 1.4240(18) > CIF C62 C63 1.3937(19) > CIF C62 C621 1.504(2) > CIF C63 C64 1.383(2) > CIF C63 H63 0.9600 > CIF C64 C65 1.381(2) > CIF C64 C641 1.506(2) > CIF C65 C66 1.3916(18) > CIF C65 H65 0.9600 > CIF C66 C661 1.5072(19) > CIF C621 H62A 0.9599 > CIF C621 H62B 0.9599 > CIF C621 H62C 0.9599 > CIF C641 H64A 0.9599 > CIF C641 H64B 0.9599 > CIF C641 H64C 0.9599 > CIF C661 H66A 0.9599 > CIF C661 H66B 0.9599 > CIF C661 H66C 0.9599 > CIF C71 C72 1.4134(19) > CIF C71 C76 1.4163(18) > CIF C72 C73 1.3907(19) > CIF C72 C721 1.510(2) > CIF C73 C74 1.382(2) > CIF C73 H73 0.9600 > CIF C74 C75 1.381(2) > CIF C74 C741 1.506(2) > CIF C75 C76 1.398(2) > CIF C75 H75 0.9600 > CIF C76 C761 1.503(2) > CIF C721 H72A 0.9599 > CIF C721 H72B 0.9599 > CIF C721 H72C 0.9599 > CIF C741 H74A 0.9599 > CIF C741 H74B 0.9599 > CIF C741 H74C 0.9599 > CIF C761 H76A 0.9599 > CIF C761 H76B 0.9599 > CIF C761 H76C 0.9599 > CIF O1 C8 1.3358(14) > CIF C8 C81 1.3602(17) > CIF C81 C82 1.4539(18) > CIF C81 C86 1.4560(18) > CIF C82 C83 1.3337(19) > CIF C82 H82 0.9600 > CIF C83 C84 1.500(2) > CIF C83 H83 0.9600 > CIF C84 C85 1.498(2) > CIF C84 C91 1.572(2) > CIF C84 H84 0.9600 > CIF C85 C86 1.336(2) > CIF C85 H85 0.9600 > CIF C86 H86 0.9600 > CIF C91 C912 1.519(2) > CIF C91 C911 1.523(2) > CIF C91 C913 1.525(2) > CIF C911 H91A 0.9599 > CIF C911 H91B 0.9599 > CIF C911 H91C 0.9599 > CIF C912 H91D 0.9599 > CIF C912 H91E 0.9599 > CIF C912 H91F 0.9599 > CIF C913 H91G 0.9599 > CIF C913 H91H 0.9599 > CIF C913 H91I 0.9599 > CIF C01 C05 1.507(6) > CIF C01 C02 1.515(8) > CIF C01 H01A 0.9600 > CIF C01 H01B 0.9600 > CIF C02 C03 1.515(7) > CIF C02 H02A 0.9600 > CIF C02 H02B 0.9600 > CIF C03 C04 1.475(9) > CIF C03 H03A 0.9600 > CIF C03 H03B 0.9600 > CIF C04 C05 1.484(7) > CIF C04 H04A 0.9600 > CIF C04 H04B 0.9600 > CIF C05 H05A 0.9600 > CIF C05 H05B 0.9600 > CIF C01A C05A 1.434(10) > CIF C01A C02A 1.504(12) > CIF C01A H01C 0.9600 > CIF C01A H01D 0.9600 > CIF C02A C03A 1.535(12) > CIF C02A H02C 0.9600 > CIF C02A H02D 0.9600 > CIF C03A C04A 1.430(13) > CIF C03A H03C 0.9600 > CIF C03A H03D 0.9600 > CIF C04A C05A 1.478(11) > CIF C04A H04C 0.9600 > CIF C04A H04D 0.9600 > CIF C05A H05C 0.9600 > CIF C05A H05D 0.9600 > CIF loop_ > CIF _geom_torsion_atom_site_label_1 > CIF _geom_torsion_atom_site_label_2 > CIF _geom_torsion_atom_site_label_3 > CIF _geom_torsion_atom_site_label_4 > CIF _geom_torsion > CIF P1 C1 C2 C31 172.35(10) > CIF Al1 C1 C2 C31 -22.40(19) > CIF C1 C2 C31 C32 -37.96(19) > CIF C1 C2 C31 C36 144.67(13) > CIF C36 C31 C32 C33 -0.8(2) > CIF C2 C31 C32 C33 -178.25(13) > CIF C31 C32 C33 C34 0.0(2) > CIF C32 C33 C34 C35 -0.2(2) > CIF C33 C34 C35 C36 1.2(2) > CIF C34 C35 C36 C31 -2.1(2) > CIF C32 C31 C36 C35 1.8(2) > CIF C2 C31 C36 C35 179.24(12) > CIF C2 C1 Al1 O1 -153.09(13) > CIF P1 C1 Al1 O1 13.67(6) > CIF C2 C1 Al1 C41 -45.98(14) > CIF P1 C1 Al1 C41 120.79(7) > CIF C2 C1 Al1 C51 97.78(13) > CIF P1 C1 Al1 C51 -95.46(7) > CIF O1 Al1 C41 C413 54.62(12) > CIF C51 Al1 C41 C413 173.27(11) > CIF C1 Al1 C41 C413 -41.63(13) > CIF O1 Al1 C41 C411 177.00(11) > CIF C51 Al1 C41 C411 -64.35(13) > CIF C1 Al1 C41 C411 80.75(12) > CIF O1 Al1 C41 C412 -62.63(11) > CIF C51 Al1 C41 C412 56.01(12) > CIF C1 Al1 C41 C412 -158.89(10) > CIF O1 Al1 C51 C512 -84.19(12) > CIF C41 Al1 C51 C512 157.58(11) > CIF C1 Al1 C51 C512 15.22(13) > CIF O1 Al1 C51 C513 33.38(12) > CIF C41 Al1 C51 C513 -84.85(12) > CIF C1 Al1 C51 C513 132.79(11) > CIF O1 Al1 C51 C511 152.09(11) > CIF C41 Al1 C51 C511 33.86(14) > CIF C1 Al1 C51 C511 -108.50(12) > CIF C2 C1 P1 C71 -107.85(11) > CIF Al1 C1 P1 C71 83.56(7) > CIF C2 C1 P1 C61 17.17(13) > CIF Al1 C1 P1 C61 -151.42(6) > CIF C2 C1 P1 C8 140.02(11) > CIF Al1 C1 P1 C8 -28.56(6) > CIF C1 P1 C61 C66 47.94(12) > CIF C71 P1 C61 C66 168.52(9) > CIF C8 P1 C61 C66 -65.41(11) > CIF C1 P1 C61 C62 -132.75(11) > CIF C71 P1 C61 C62 -12.17(13) > CIF C8 P1 C61 C62 113.90(12) > CIF C66 C61 C62 C63 -3.6(2) > CIF P1 C61 C62 C63 177.12(11) > CIF C66 C61 C62 C621 173.77(15) > CIF P1 C61 C62 C621 -5.5(2) > CIF C61 C62 C63 C64 1.0(2) > CIF C621 C62 C63 C64 -176.64(15) > CIF C62 C63 C64 C65 1.4(2) > CIF C62 C63 C64 C641 179.61(15) > CIF C63 C64 C65 C66 -1.3(2) > CIF C641 C64 C65 C66 -179.45(15) > CIF C64 C65 C66 C61 -1.3(2) > CIF C64 C65 C66 C661 175.22(13) > CIF C62 C61 C66 C65 3.78(19) > CIF P1 C61 C66 C65 -176.88(10) > CIF C62 C61 C66 C661 -172.46(13) > CIF P1 C61 C66 C661 6.88(17) > CIF C1 P1 C71 C72 52.71(11) > CIF C61 P1 C71 C72 -74.48(11) > CIF C8 P1 C71 C72 156.40(10) > CIF C1 P1 C71 C76 -125.26(11) > CIF C61 P1 C71 C76 107.55(11) > CIF C8 P1 C71 C76 -21.57(13) > CIF C76 C71 C72 C73 3.66(19) > CIF P1 C71 C72 C73 -174.38(10) > CIF C76 C71 C72 C721 -172.88(13) > CIF P1 C71 C72 C721 9.07(18) > CIF C71 C72 C73 C74 -1.6(2) > CIF C721 C72 C73 C74 175.20(14) > CIF C72 C73 C74 C75 -1.2(2) > CIF C72 C73 C74 C741 -178.66(14) > CIF C73 C74 C75 C76 2.0(2) > CIF C741 C74 C75 C76 179.51(14) > CIF C74 C75 C76 C71 0.0(2) > CIF C74 C75 C76 C761 -177.93(14) > CIF C72 C71 C76 C75 -2.86(19) > CIF P1 C71 C76 C75 175.08(10) > CIF C72 C71 C76 C761 174.85(14) > CIF P1 C71 C76 C761 -7.2(2) > CIF C41 Al1 O1 C8 -99.34(10) > CIF C51 Al1 O1 C8 135.60(10) > CIF C1 Al1 O1 C8 14.12(10) > CIF Al1 O1 C8 C81 145.48(10) > CIF Al1 O1 C8 P1 -35.85(12) > CIF C1 P1 C8 O1 38.97(9) > CIF C71 P1 C8 O1 -69.24(10) > CIF C61 P1 C8 O1 162.81(8) > CIF C1 P1 C8 C81 -142.48(12) > CIF C71 P1 C8 C81 109.32(12) > CIF C61 P1 C8 C81 -18.64(14) > CIF O1 C8 C81 C82 -3.20(19) > CIF P1 C8 C81 C82 178.43(10) > CIF O1 C8 C81 C86 174.49(12) > CIF P1 C8 C81 C86 -3.9(2) > CIF C8 C81 C82 C83 172.01(13) > CIF C86 C81 C82 C83 -5.91(19) > CIF C81 C82 C83 C84 -1.9(2) > CIF C82 C83 C84 C85 9.2(2) > CIF C82 C83 C84 C91 -117.99(16) > CIF C83 C84 C85 C86 -9.7(2) > CIF C91 C84 C85 C86 117.42(16) > CIF C84 C85 C86 C81 2.8(2) > CIF C8 C81 C86 C85 -172.29(14) > CIF C82 C81 C86 C85 5.5(2) > CIF C85 C84 C91 C912 57.88(17) > CIF C83 C84 C91 C912 -175.84(14) > CIF C85 C84 C91 C911 -62.62(16) > CIF C83 C84 C91 C911 63.66(17) > CIF C85 C84 C91 C913 176.63(14) > CIF C83 C84 C91 C913 -57.09(18) > CIF C05 C01 C02 C03 30.5(8) > CIF C01 C02 C03 C04 -12.1(9) > CIF C02 C03 C04 C05 -11.3(9) > CIF C03 C04 C05 C01 30.2(8) > CIF C02 C01 C05 C04 -37.4(8) > CIF C05A C01A C02A C03A 13.9(14) > CIF C01A C02A C03A C04A 10.0(14) > CIF C02A C03A C04A C05A -29.4(14) > CIF C02A C01A C05A C04A -32.4(14) > CIF C03A C04A C05A C01A 39.3(15) > CIF data_compound_7 > CIF _chemical_formula_sum 'C30 H48 Al2 N2 O2' > CIF _chemical_formula_weight 522.66 > CIF _chemical_name_systematic > CIF ; > CIF ? > CIF ; > CIF _space_group_IT_number 14 > CIF _symmetry_cell_setting monoclinic > CIF _symmetry_space_group_name_Hall '-P 2ybc' > CIF _symmetry_space_group_name_H-M 'P 1 21/c 1' > CIF _atom_sites_solution_hydrogens geom > CIF _atom_sites_solution_primary direct > CIF _atom_sites_solution_secondary difmap > CIF _audit_creation_method SHELXL-97 > CIF _cell_angle_alpha 90.00 > CIF _cell_angle_beta 104.829(3) > CIF _cell_angle_gamma 90.00 > CIF _cell_formula_units_Z 2 > CIF _cell_length_a 8.1728(4) > CIF _cell_length_b 16.6678(7) > CIF _cell_length_c 11.8972(6) > CIF _cell_measurement_reflns_used 4320 > CIF _cell_measurement_temperature 153(2) > CIF _cell_measurement_theta_max 71.92 > CIF _cell_measurement_theta_min 4.67 > CIF _cell_volume 1566.69(13) > CIF _computing_cell_refinement 'Bruker SAINT+' > CIF _computing_data_collection 'Bruker SMART' > CIF _computing_data_reduction 'Bruker SHELXTL' > CIF _computing_molecular_graphics 'Bruker SHELXTL' > CIF _computing_publication_material 'Bruker SHELXTL' > CIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' > CIF _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' > CIF _diffrn_ambient_temperature 153(2) > CIF _diffrn_measured_fraction_theta_full 0.964 > CIF _diffrn_measured_fraction_theta_max 0.964 > CIF _diffrn_measurement_device_type 'CCD area detector' > CIF _diffrn_measurement_method 'omega scans' > CIF _diffrn_radiation_monochromator graphite > CIF _diffrn_radiation_source 'rotating anode' > CIF _diffrn_radiation_type CuK\a > CIF _diffrn_radiation_wavelength 1.54178 > CIF _diffrn_reflns_av_R_equivalents 0.1230 > CIF _diffrn_reflns_av_sigmaI/netI 0.0759 > CIF _diffrn_reflns_limit_h_max 8 > CIF _diffrn_reflns_limit_h_min -9 > CIF _diffrn_reflns_limit_k_max 20 > CIF _diffrn_reflns_limit_k_min -20 > CIF _diffrn_reflns_limit_l_max 12 > CIF _diffrn_reflns_limit_l_min -14 > CIF _diffrn_reflns_number 8747 > CIF _diffrn_reflns_theta_full 67.98 > CIF _diffrn_reflns_theta_max 67.98 > CIF _diffrn_reflns_theta_min 4.67 > CIF _exptl_absorpt_coefficient_mu 1.037 > CIF _exptl_absorpt_correction_T_max 0.9404 > CIF _exptl_absorpt_correction_T_min 0.8517 > CIF _exptl_absorpt_correction_type empirical > CIF _exptl_absorpt_process_details SADABS > CIF _exptl_crystal_colour colourless > CIF _exptl_crystal_density_diffrn 1.108 > CIF _exptl_crystal_density_method 'not measured' > CIF _exptl_crystal_description block > CIF _exptl_crystal_F_000 568 > CIF _exptl_crystal_size_max 0.16 > CIF _exptl_crystal_size_mid 0.09 > CIF _exptl_crystal_size_min 0.06 > CIF _refine_diff_density_max 0.337 > CIF _refine_diff_density_min -0.271 > CIF _refine_diff_density_rms > CIF '0.047 =================================================================================================================================' > CIF _refine_ls_extinction_method none > CIF _refine_ls_goodness_of_fit_ref 1.065 > CIF _refine_ls_hydrogen_treatment mixed > CIF _refine_ls_matrix_type full > CIF _refine_ls_number_parameters 198 > CIF _refine_ls_number_reflns 2755 > CIF _refine_ls_number_restraints 42 > CIF _refine_ls_restrained_S_all 1.081 > CIF _refine_ls_R_factor_all 0.0531 > CIF _refine_ls_R_factor_gt 0.0442 > CIF _refine_ls_shift/su_max 0.000 > CIF _refine_ls_shift/su_mean 0.000 > CIF _refine_ls_structure_factor_coef Fsqd > CIF _refine_ls_weighting_details > CIF 'calc w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+0.0017P] where P=(Fo^2^+2Fc^2^)/3' > CIF _refine_ls_weighting_scheme calc > CIF _refine_ls_wR_factor_gt 0.1224 > CIF _refine_ls_wR_factor_ref 0.1277 > CIF _reflns_number_gt 2263 > CIF _reflns_number_total 2755 > CIF _reflns_threshold_expression >2sigma(I) > CIF _cod_data_source_file om400620h_si_001.cif > CIF _cod_data_source_block compound_7 > CIF _cod_original_sg_symbol_H-M P21/c > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF 'x, y, z' > CIF '-x, y+1/2, -z+1/2' > CIF '-x, -y, -z' > CIF 'x, -y-1/2, z-1/2' > CIF loop_ > CIF _atom_site_label > CIF _atom_site_type_symbol > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_U_iso_or_equiv > CIF _atom_site_adp_type > CIF _atom_site_occupancy > CIF _atom_site_symmetry_multiplicity > CIF _atom_site_calc_flag > CIF _atom_site_refinement_flags > CIF _atom_site_disorder_assembly > CIF _atom_site_disorder_group > CIF Al1 Al 0.47534(6) 0.01308(3) 0.17113(4) 0.02676(19) Uani 1 1 d . . . > CIF O1 O 0.64853(15) 0.03896(7) -0.04640(11) 0.0326(3) Uani 1 1 d . . . > CIF C1 C 0.6600(2) 0.09897(9) 0.02210(14) 0.0271(4) Uani 1 1 d . . . > CIF C21 C 0.7494(2) 0.17206(9) -0.00298(14) 0.0263(4) Uani 1 1 d . . . > CIF C22 C 0.8403(2) 0.16864(11) -0.08739(16) 0.0364(4) Uani 1 1 d . . . > CIF H22 H 0.8422 0.1198 -0.1297 0.044 Uiso 1 1 calc R . . > CIF C23 C 0.9276(2) 0.23491(11) -0.11061(18) 0.0412(5) Uani 1 1 d . . . > CIF H23 H 0.9903 0.2318 -0.1686 0.049 Uiso 1 1 calc R . . > CIF C24 C 0.9251(2) 0.30549(10) -0.05089(19) 0.0396(5) Uani 1 1 d . . . > CIF H24 H 0.9860 0.3515 -0.0670 0.048 Uiso 1 1 calc R . . > CIF C25 C 0.8348(3) 0.30975(10) 0.0322(2) 0.0433(5) Uani 1 1 d . . . > CIF H25 H 0.8330 0.3589 0.0739 0.052 Uiso 1 1 calc R . . > CIF C26 C 0.7468(2) 0.24377(10) 0.05566(16) 0.0349(4) Uani 1 1 d . . . > CIF H26 H 0.6833 0.2476 0.1131 0.042 Uiso 1 1 calc R . . > CIF N1 N 0.5999(2) 0.09437(9) 0.11354(14) 0.0349(4) Uani 1 1 d . . . > CIF H1 H 0.617(3) 0.1333(13) 0.155(2) 0.047(6) Uiso 1 1 d . . . > CIF C3 C 0.6432(2) -0.06172(11) 0.26704(16) 0.0371(4) Uani 1 1 d D . . > CIF C31 C 0.7448(4) -0.10443(16) 0.1926(2) 0.0696(8) Uani 1 1 d D . . > CIF H31A H 0.8329 -0.1360 0.2418 0.084 Uiso 1 1 calc R . . > CIF H31B H 0.7942 -0.0652 0.1520 0.084 Uiso 1 1 calc R . . > CIF H31C H 0.6709 -0.1388 0.1373 0.084 Uiso 1 1 calc R . . > CIF C32 C 0.7692(3) -0.01430(13) 0.3609(2) 0.0539(6) Uani 1 1 d D . . > CIF H32A H 0.7102 0.0113 0.4112 0.065 Uiso 1 1 calc R . . > CIF H32B H 0.8234 0.0256 0.3248 0.065 Uiso 1 1 calc R . . > CIF H32C H 0.8530 -0.0501 0.4055 0.065 Uiso 1 1 calc R . . > CIF C33 C 0.5642(3) -0.12655(15) 0.3270(2) 0.0657(7) Uani 1 1 d D . . > CIF H33A H 0.4886 -0.1587 0.2694 0.079 Uiso 1 1 calc R . . > CIF H33B H 0.5024 -0.1018 0.3763 0.079 Uiso 1 1 calc R . . > CIF H33C H 0.6518 -0.1600 0.3729 0.079 Uiso 1 1 calc R . . > CIF C4 C 0.3168(2) 0.07702(11) 0.23795(17) 0.0373(4) Uani 1 1 d D . . > CIF C41 C 0.4169(18) 0.1318(8) 0.3343(11) 0.068(4) Uani 0.482(13) 1 d PDU A 1 > CIF H41A H 0.4882 0.1666 0.3033 0.081 Uiso 0.482(13) 1 calc PR A 1 > CIF H41B H 0.4855 0.0998 0.3956 0.081 Uiso 0.482(13) 1 calc PR A 1 > CIF H41C H 0.3398 0.1635 0.3646 0.081 Uiso 0.482(13) 1 calc PR A 1 > CIF C42 C 0.2260(12) 0.1385(6) 0.1377(6) 0.070(3) Uani 0.482(13) 1 d PDU A 1 > CIF H42A H 0.3102 0.1663 0.1093 0.084 Uiso 0.482(13) 1 calc PR A 1 > CIF H42B H 0.1609 0.1766 0.1687 0.084 Uiso 0.482(13) 1 calc PR A 1 > CIF H42C H 0.1525 0.1095 0.0751 0.084 Uiso 0.482(13) 1 calc PR A 1 > CIF C43 C 0.1833(17) 0.0325(6) 0.2724(16) 0.113(6) Uani 0.482(13) 1 d PDU A 1 > CIF H43A H 0.1280 -0.0027 0.2105 0.135 Uiso 0.482(13) 1 calc PR A 1 > CIF H43B H 0.1023 0.0695 0.2886 0.135 Uiso 0.482(13) 1 calc PR A 1 > CIF H43C H 0.2320 0.0015 0.3408 0.135 Uiso 0.482(13) 1 calc PR A 1 > CIF C4A C 0.3970(13) 0.1465(6) 0.3126(10) 0.047(2) Uani 0.518(13) 1 d PDU A 2 > CIF H4A1 H 0.4984 0.1288 0.3674 0.056 Uiso 0.518(13) 1 calc PR A 2 > CIF H4A2 H 0.3193 0.1673 0.3538 0.056 Uiso 0.518(13) 1 calc PR A 2 > CIF H4A3 H 0.4245 0.1879 0.2644 0.056 Uiso 0.518(13) 1 calc PR A 2 > CIF C4B C 0.1611(9) 0.1000(5) 0.1471(5) 0.0555(18) Uani 0.518(13) 1 d PDU A 2 > CIF H4B1 H 0.1200 0.0544 0.0988 0.067 Uiso 0.518(13) 1 calc PR A 2 > CIF H4B2 H 0.1875 0.1425 0.1002 0.067 Uiso 0.518(13) 1 calc PR A 2 > CIF H4B3 H 0.0758 0.1178 0.1838 0.067 Uiso 0.518(13) 1 calc PR A 2 > CIF C4C C 0.2519(8) 0.0201(4) 0.3246(5) 0.0438(14) Uani 0.518(13) 1 d PDU A 2 > CIF H4C1 H 0.3461 0.0040 0.3869 0.053 Uiso 0.518(13) 1 calc PR A 2 > CIF H4C2 H 0.1993 -0.0265 0.2834 0.053 Uiso 0.518(13) 1 calc PR A 2 > CIF H4C3 H 0.1712 0.0485 0.3558 0.053 Uiso 0.518(13) 1 calc PR A 2 > CIF loop_ > CIF _atom_site_aniso_label > CIF _atom_site_aniso_U_11 > CIF _atom_site_aniso_U_22 > CIF _atom_site_aniso_U_33 > CIF _atom_site_aniso_U_23 > CIF _atom_site_aniso_U_13 > CIF _atom_site_aniso_U_12 > CIF Al1 0.0356(3) 0.0246(3) 0.0237(3) -0.0013(2) 0.0143(2) -0.0020(2) > CIF O1 0.0399(7) 0.0287(6) 0.0316(7) -0.0065(5) 0.0135(5) -0.0044(5) > CIF C1 0.0301(8) 0.0266(8) 0.0248(8) -0.0012(7) 0.0073(6) -0.0012(7) > CIF C21 0.0288(8) 0.0256(8) 0.0241(8) 0.0016(7) 0.0062(6) -0.0012(7) > CIF C22 0.0463(11) 0.0332(9) 0.0342(10) -0.0041(8) 0.0188(8) -0.0049(8) > CIF C23 0.0457(11) 0.0421(10) 0.0420(11) 0.0044(9) 0.0224(8) -0.0046(9) > CIF C24 0.0428(11) 0.0301(9) 0.0487(12) 0.0074(9) 0.0167(9) -0.0049(8) > CIF C25 0.0582(12) 0.0243(8) 0.0514(13) -0.0037(9) 0.0214(10) -0.0050(8) > CIF C26 0.0435(10) 0.0300(8) 0.0363(10) -0.0032(8) 0.0193(8) -0.0028(8) > CIF N1 0.0503(9) 0.0279(7) 0.0323(8) -0.0072(7) 0.0213(7) -0.0109(7) > CIF C3 0.0482(11) 0.0329(9) 0.0300(10) -0.0003(8) 0.0095(8) 0.0062(8) > CIF C31 0.0816(17) 0.0771(17) 0.0494(14) -0.0023(13) 0.0152(12) 0.0453(15) > CIF C32 0.0546(13) 0.0487(12) 0.0504(14) -0.0030(11) -0.0011(10) 0.0063(10) > CIF C33 0.0749(16) 0.0538(13) 0.0591(15) 0.0255(12) 0.0000(12) -0.0051(12) > CIF C4 0.0407(10) 0.0397(10) 0.0352(10) -0.0087(8) 0.0167(8) 0.0015(8) > CIF C41 0.077(5) 0.069(7) 0.054(5) -0.030(5) 0.012(4) 0.033(4) > CIF C42 0.058(4) 0.089(6) 0.061(4) -0.013(4) 0.009(3) 0.040(4) > CIF C43 0.106(9) 0.056(4) 0.226(16) -0.042(7) 0.134(10) -0.018(5) > CIF C4A 0.047(4) 0.032(3) 0.068(5) -0.011(3) 0.028(3) -0.001(3) > CIF C4B 0.053(3) 0.073(4) 0.040(3) -0.001(3) 0.012(2) 0.024(3) > CIF C4C 0.049(3) 0.048(3) 0.047(3) -0.002(2) 0.034(2) 0.006(2) > CIF loop_ > CIF _atom_type_symbol > CIF _atom_type_description > CIF _atom_type_scat_dispersion_real > CIF _atom_type_scat_dispersion_imag > CIF _atom_type_scat_source > CIF C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' > CIF loop_ > CIF _geom_angle_atom_site_label_1 > CIF _geom_angle_atom_site_label_2 > CIF _geom_angle_atom_site_label_3 > CIF _geom_angle > CIF _geom_angle_site_symmetry_1 > CIF _geom_angle_site_symmetry_3 > CIF O1 Al1 N1 106.53(7) 3_655 . > CIF O1 Al1 C3 109.45(7) 3_655 . > CIF N1 Al1 C3 107.23(8) . . > CIF O1 Al1 C4 107.58(7) 3_655 . > CIF N1 Al1 C4 102.88(7) . . > CIF C3 Al1 C4 122.07(8) . . > CIF C1 O1 Al1 147.20(12) . 3_655 > CIF O1 C1 N1 120.23(15) . . > CIF O1 C1 C21 118.17(14) . . > CIF N1 C1 C21 121.55(14) . . > CIF C26 C21 C22 118.47(15) . . > CIF C26 C21 C1 122.21(14) . . > CIF C22 C21 C1 119.32(15) . . > CIF C23 C22 C21 120.61(17) . . > CIF C23 C22 H22 119.7 . . > CIF C21 C22 H22 119.7 . . > CIF C24 C23 C22 120.24(17) . . > CIF C24 C23 H23 119.9 . . > CIF C22 C23 H23 119.9 . . > CIF C23 C24 C25 119.67(16) . . > CIF C23 C24 H24 120.2 . . > CIF C25 C24 H24 120.2 . . > CIF C24 C25 C26 120.42(17) . . > CIF C24 C25 H25 119.8 . . > CIF C26 C25 H25 119.8 . . > CIF C25 C26 C21 120.59(16) . . > CIF C25 C26 H26 119.7 . . > CIF C21 C26 H26 119.7 . . > CIF C1 N1 Al1 133.21(13) . . > CIF C1 N1 H1 114.8(16) . . > CIF Al1 N1 H1 112.0(16) . . > CIF C33 C3 C32 108.12(18) . . > CIF C33 C3 C31 107.31(19) . . > CIF C32 C3 C31 107.35(18) . . > CIF C33 C3 Al1 113.60(14) . . > CIF C32 C3 Al1 109.39(12) . . > CIF C31 C3 Al1 110.85(14) . . > CIF C3 C31 H31A 109.5 . . > CIF C3 C31 H31B 109.5 . . > CIF H31A C31 H31B 109.5 . . > CIF C3 C31 H31C 109.5 . . > CIF H31A C31 H31C 109.5 . . > CIF H31B C31 H31C 109.5 . . > CIF C3 C32 H32A 109.5 . . > CIF C3 C32 H32B 109.5 . . > CIF H32A C32 H32B 109.5 . . > CIF C3 C32 H32C 109.5 . . > CIF H32A C32 H32C 109.5 . . > CIF H32B C32 H32C 109.5 . . > CIF C3 C33 H33A 109.5 . . > CIF C3 C33 H33B 109.5 . . > CIF H33A C33 H33B 109.5 . . > CIF C3 C33 H33C 109.5 . . > CIF H33A C33 H33C 109.5 . . > CIF H33B C33 H33C 109.5 . . > CIF C43 C4 C4B 76.9(6) . . > CIF C43 C4 C4A 117.9(7) . . > CIF C4B C4 C4A 113.1(5) . . > CIF C43 C4 C41 112.8(8) . . > CIF C4B C4 C41 125.6(6) . . > CIF C4A C4 C41 13.7(9) . . > CIF C43 C4 C4C 28.1(7) . . > CIF C4B C4 C4C 105.0(4) . . > CIF C4A C4 C4C 104.1(5) . . > CIF C41 C4 C4C 94.2(6) . . > CIF C43 C4 C42 107.2(6) . . > CIF C4B C4 C42 31.9(3) . . > CIF C4A C4 C42 89.8(6) . . > CIF C41 C4 C42 103.5(6) . . > CIF C4C C4 C42 134.1(4) . . > CIF C43 C4 Al1 116.7(4) . . > CIF C4B C4 Al1 111.6(2) . . > CIF C4A C4 Al1 114.7(4) . . > CIF C41 C4 Al1 109.9(6) . . > CIF C4C C4 Al1 107.4(3) . . > CIF C42 C4 Al1 105.6(3) . . > CIF C4 C41 H41A 109.5 . . > CIF C4 C41 H41B 109.5 . . > CIF H41A C41 H41B 109.5 . . > CIF C4 C41 H41C 109.5 . . > CIF H41A C41 H41C 109.5 . . > CIF H41B C41 H41C 109.5 . . > CIF C4 C42 H42A 109.5 . . > CIF C4 C42 H42B 109.5 . . > CIF H42A C42 H42B 109.5 . . > CIF C4 C42 H42C 109.5 . . > CIF H42A C42 H42C 109.5 . . > CIF H42B C42 H42C 109.5 . . > CIF C4 C43 H43A 109.5 . . > CIF C4 C43 H43B 109.5 . . > CIF H43A C43 H43B 109.5 . . > CIF C4 C43 H43C 109.5 . . > CIF H43A C43 H43C 109.5 . . > CIF H43B C43 H43C 109.5 . . > CIF C4 C4A H4A1 109.5 . . > CIF C4 C4A H4A2 109.5 . . > CIF H4A1 C4A H4A2 109.5 . . > CIF C4 C4A H4A3 109.5 . . > CIF H4A1 C4A H4A3 109.5 . . > CIF H4A2 C4A H4A3 109.5 . . > CIF C4 C4B H4B1 109.5 . . > CIF C4 C4B H4B2 109.5 . . > CIF H4B1 C4B H4B2 109.5 . . > CIF C4 C4B H4B3 109.5 . . > CIF H4B1 C4B H4B3 109.5 . . > CIF H4B2 C4B H4B3 109.5 . . > CIF C4 C4C H4C1 109.5 . . > CIF C4 C4C H4C2 109.5 . . > CIF H4C1 C4C H4C2 109.5 . . > CIF C4 C4C H4C3 109.5 . . > CIF H4C1 C4C H4C3 109.5 . . > CIF H4C2 C4C H4C3 109.5 . . > CIF loop_ > CIF _geom_bond_atom_site_label_1 > CIF _geom_bond_atom_site_label_2 > CIF _geom_bond_distance > CIF _geom_bond_site_symmetry_2 > CIF Al1 O1 1.7918(13) 3_655 > CIF Al1 N1 1.9233(15) . > CIF Al1 C3 1.9844(19) . > CIF Al1 C4 1.9932(17) . > CIF O1 C1 1.2783(19) . > CIF O1 Al1 1.7918(13) 3_655 > CIF C1 N1 1.305(2) . > CIF C1 C21 1.489(2) . > CIF C21 C26 1.387(2) . > CIF C21 C22 1.395(2) . > CIF C22 C23 1.381(2) . > CIF C22 H22 0.9600 . > CIF C23 C24 1.377(3) . > CIF C23 H23 0.9600 . > CIF C24 C25 1.379(3) . > CIF C24 H24 0.9600 . > CIF C25 C26 1.381(2) . > CIF C25 H25 0.9600 . > CIF C26 H26 0.9600 . > CIF N1 H1 0.81(2) . > CIF C3 C33 1.526(3) . > CIF C3 C32 1.530(3) . > CIF C3 C31 1.536(3) . > CIF C31 H31A 0.9599 . > CIF C31 H31B 0.9599 . > CIF C31 H31C 0.9599 . > CIF C32 H32A 0.9599 . > CIF C32 H32B 0.9599 . > CIF C32 H32C 0.9599 . > CIF C33 H33A 0.9599 . > CIF C33 H33B 0.9599 . > CIF C33 H33C 0.9599 . > CIF C4 C43 1.462(7) . > CIF C4 C4B 1.494(6) . > CIF C4 C4A 1.505(8) . > CIF C4 C41 1.529(9) . > CIF C4 C4C 1.588(6) . > CIF C4 C42 1.604(7) . > CIF C41 H41A 0.9600 . > CIF C41 H41B 0.9600 . > CIF C41 H41C 0.9600 . > CIF C42 H42A 0.9600 . > CIF C42 H42B 0.9600 . > CIF C42 H42C 0.9600 . > CIF C43 H43A 0.9600 . > CIF C43 H43B 0.9600 . > CIF C43 H43C 0.9600 . > CIF C4A H4A1 0.9600 . > CIF C4A H4A2 0.9600 . > CIF C4A H4A3 0.9600 . > CIF C4B H4B1 0.9600 . > CIF C4B H4B2 0.9600 . > CIF C4B H4B3 0.9600 . > CIF C4C H4C1 0.9600 . > CIF C4C H4C2 0.9600 . > CIF C4C H4C3 0.9600 . > CIF loop_ > CIF _geom_torsion_atom_site_label_1 > CIF _geom_torsion_atom_site_label_2 > CIF _geom_torsion_atom_site_label_3 > CIF _geom_torsion_atom_site_label_4 > CIF _geom_torsion > CIF _geom_torsion_site_symmetry_1 > CIF Al1 O1 C1 N1 88.2(2) 3_655 > CIF Al1 O1 C1 C21 -94.2(2) 3_655 > CIF O1 C1 C21 C26 170.33(17) . > CIF N1 C1 C21 C26 -12.1(3) . > CIF O1 C1 C21 C22 -10.3(2) . > CIF N1 C1 C21 C22 167.24(17) . > CIF C26 C21 C22 C23 0.9(3) . > CIF C1 C21 C22 C23 -178.50(16) . > CIF C21 C22 C23 C24 -0.3(3) . > CIF C22 C23 C24 C25 -0.1(3) . > CIF C23 C24 C25 C26 -0.1(3) . > CIF C24 C25 C26 C21 0.7(3) . > CIF C22 C21 C26 C25 -1.1(3) . > CIF C1 C21 C26 C25 178.32(17) . > CIF O1 C1 N1 Al1 -4.4(3) . > CIF C21 C1 N1 Al1 178.16(13) . > CIF O1 Al1 N1 C1 -30.3(2) 3_655 > CIF C3 Al1 N1 C1 86.79(19) . > CIF C4 Al1 N1 C1 -143.33(18) . > CIF O1 Al1 C3 C33 -69.24(16) 3_655 > CIF N1 Al1 C3 C33 175.58(15) . > CIF C4 Al1 C3 C33 57.57(18) . > CIF O1 Al1 C3 C32 169.85(13) 3_655 > CIF N1 Al1 C3 C32 54.68(15) . > CIF C4 Al1 C3 C32 -63.33(16) . > CIF O1 Al1 C3 C31 51.67(17) 3_655 > CIF N1 Al1 C3 C31 -63.51(17) . > CIF C4 Al1 C3 C31 178.48(15) . > CIF O1 Al1 C4 C43 57.9(9) 3_655 > CIF N1 Al1 C4 C43 170.1(9) . > CIF C3 Al1 C4 C43 -69.7(9) . > CIF O1 Al1 C4 C4B -27.9(4) 3_655 > CIF N1 Al1 C4 C4B 84.3(4) . > CIF C3 Al1 C4 C4B -155.6(4) . > CIF O1 Al1 C4 C4A -158.2(5) 3_655 > CIF N1 Al1 C4 C4A -46.0(5) . > CIF C3 Al1 C4 C4A 74.1(5) . > CIF O1 Al1 C4 C41 -172.1(6) 3_655 > CIF N1 Al1 C4 C41 -59.9(6) . > CIF C3 Al1 C4 C41 60.3(6) . > CIF O1 Al1 C4 C4C 86.6(3) 3_655 > CIF N1 Al1 C4 C4C -161.1(3) . > CIF C3 Al1 C4 C4C -41.0(3) . > CIF O1 Al1 C4 C42 -61.1(5) 3_655 > CIF N1 Al1 C4 C42 51.2(5) . > CIF C3 Al1 C4 C42 171.3(5) . tests/cases/cod_predeposition_check_020.opt: FAILED: 1,353c1,128 < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data name '_atom_site_uiso_or_equiv' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the data block does not contain symmetry operators. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no unit cell information found -- cannot compute cell volume. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, recommended data item '_chemical_formula_sum' was not found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no symmetry information found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the space group symmetry operation list was not provided. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no space group symbol to check cell constraints. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp: NOTE, 8 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 8 warning(s). < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp data_ctrl_z: NOTE, DOS EOF symbol ^Z was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: NOTE, 3 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp data_ctrl_z: NOTE, non-ascii symbols encountered in the text field -- replaced with XML entities. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp(3,17) data_block: ERROR, incorrect CIF syntax. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp(10) data_block4: WARNING, zero-length data block name detected -- ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp(6) data_some_great_block#comment_and_here_we_assume,_that: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(2) data_block: WARNING, zero-length data block name detected -- ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(3,17) data_block: ERROR, incorrect CIF syntax. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp(2,6) data_dollar: ERROR, dollar symbol ('$') must not start an unquoted string. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(4) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(5) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(6) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(7) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, 5 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(22) data_duplicate: WARNING, tag _chemical_formula_weight appears more than once with the same value '2604.88'. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(3) data_duplicate: ERROR, tag _same_line appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(6) data_duplicate: ERROR, tag _different_lines appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(13) data_duplicate: ERROR, tag _separated_by_spaces appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(19) data_duplicate: ERROR, tag _inloop_tag appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, 4 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp data_entities: NOTE, non-ascii symbols encountered in the text field -- replaced with XML entities. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp(9,9) data_wrong_loop: ERROR, wrong number of elements in the loop starting at line 3. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: NOTE, 3 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp data_t132: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, end of file encountered while in text field starting in line 9, possible runaway closing semicolon (';'). < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp data_extra: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp(2) data_asoads_global_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: NOTE, no data block heading (i.e. data_somecif) found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: NOTE, no data block heading (i.e. data_somecif) found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, no data block heading (i.e. data_somecif) found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: NOTE, 2 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp(15) data_line_number: ERROR, tag _duplicate appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: NOTE, 3 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: NOTE, 3 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp data_floatlexer: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(9,22) data_floatlexer: ERROR, incorrect CIF syntax. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp data_entities: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp data_multi: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: NOTE, 2 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(3) data_multitag: ERROR, tag _tag appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(4) data_multitag: ERROR, tag _tag appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(3,31): NOTE, unallowed symbol in CIF comment was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: NOTE, 2 NOTE(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the data block does not contain symmetry operators. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no unit cell information found -- cannot compute cell volume. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, recommended data item '_chemical_formula_sum' was not found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, _journal_name_full is undefined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, _publ_section_title is undefined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, neither _journal_year nor _journal_volume is defined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, neither _journal_page_first nor _journal_article_reference is defined. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no symmetry information found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the space group symmetry operation list was not provided. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no space group symbol to check cell constraints. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp: NOTE, 8 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 8 warning(s). < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp data_non_ascii: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp data_seasea: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(3,14) data_seasea: ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(5,1) data_seasea: ERROR, incorrect CIF syntax. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, compiler could not recover from errors, quitting now -- 3 error(s) detected. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, 4 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp(3) data_sameline: ERROR, tag _tag appears more than once. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp(15,1) data_loctag: ERROR, incorrect CIF syntax. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, 2 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp(1) data_more_than_one: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(1) data_spaces_without_quotes: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, single-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, double-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp data_spaces_without_quotes: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: NOTE, 7 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp data_entities: NOTE, non-ascii symbols encountered in the text. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp(2,1): ERROR, STOP_ symbol detected -- it is not acceptable in CIF v1.1. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, 1 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp(2) data_asoads_stop_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: NOTE, no data block heading (i.e. data_somecif) found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: NOTE, 2 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp data_loctag: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: NOTE, 2 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, double-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, single-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, single-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp data_unclosed: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: NOTE, 4 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp data_(5): NOTE, single-quoted string is missing a closing quote -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: NOTE, 1 NOTE(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp(1): WARNING, stray CIF values at the beginning of the input file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: ERROR, file became empty after filtering with cif_filter. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp data_no_quotes: NOTE, string with spaces without quotes -- fixed. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: NOTE, 1 WARNING(s) encountered while parsing the file. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: WARNING, no data blocks that contain coordinates found. < scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: ERROR, file became empty after filtering with cif_filter. --- > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/1YGG.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp(12,1) data_9003354: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data name '_atom_site_uiso_or_equiv' is not recognised.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the data block does not contain symmetry operators.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no unit cell information found -- cannot compute cell volume.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data item '_chemical_formula_sum' is absent. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, data item '_publ_section_title' is absent. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no space group information found. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, no Hall space group symbol found. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/9003354-unexprected-loop-end.inp data_9003354: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/cases.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp(8) data_ctrl_z: WARNING, DOS EOF symbol ^Z was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp(12) data_ctrl_z: WARNING, non-ascii symbols encountered in the text field -- replaced with XML entities:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/ctrl-z-inside-textfield.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_block_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp(3,17) data_block: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp(10) data_block4: WARNING, zero-length data block name detected -- ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp(6) data_some_great_block#comment_and_here_we_assume,_that: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(2) data_block: WARNING, zero-length data block name detected -- ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp(3,17) data_block: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/data_string_error_04.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp(2,6) data_dollar: ERROR, dollar symbol ('$') must not start an unquoted string:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/dollar.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(3) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(4) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(5) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(6) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp(7) data_duplicate_tags_01: ERROR, tag _tag1 appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate_tags_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(22) data_duplicate: WARNING, tag _chemical_formula_weight appears more than once with the same value '2604.88'.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(3) data_duplicate: ERROR, tag _same_line appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(6) data_duplicate: ERROR, tag _different_lines appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(13) data_duplicate: ERROR, tag _separated_by_spaces appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp(19) data_duplicate: ERROR, tag _inloop_tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/duplicate-tags.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/empty_data_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp(5) data_entities: WARNING, non-ascii symbols encountered in the text field -- replaced with XML entities:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entities.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp(2,1): WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/entity-in-tag-name.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_comment_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_float_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp(9,9) data_wrong_loop: ERROR, wrong number of elements in the loop starting at line 3:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_loop_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(6) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp(8) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_missed_tag_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_pos_04.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp(3) data_t132: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_string_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp(9): ERROR, end of file encountered while in text field starting in line 9, possible runaway closing semicolon (';').scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_textfield_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/err_wspace_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp(3) data_extra: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/extra-values.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/file_wo_wspaces.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/float_mis-increase_lexer_position.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folded_title.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/folding.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp(2) data_asoads_global_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/global_errors_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless_data.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp(1): WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/headerless-unquoted-string.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp(15) data_line_number: ERROR, tag _duplicate appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/line-number-test.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(3) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(3) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/local_tags_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_dquoted_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(8) data_floatlexer: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp(9,22) data_floatlexer: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_misparsing.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_squoted_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/loop_unquoted_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp(3,1) data_entities: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/missing-entity-quote.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-empty-lines.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp(2,1): WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp(2,8) data_multi: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multi-non-ascii.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(3) data_multitag: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp(4) data_multitag: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/multitag.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/newline.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp(3,31): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-comment.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp(5,1) data_non_ascii: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, the data block does not contain symmetry operators.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, no unit cell information found -- cannot compute cell volume.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii.inp data_non_ascii: WARNING, data block does not contain fractional coordinates. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp(2,6) data_non_ascii: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/non-ascii-values.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/precision_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(4) data_seasea: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(2,1): ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(3,14) data_seasea: ERROR, GLOBAL_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp(5,1) data_seasea: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, compiler could not recover from errors, quitting now -- 3 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/reserved_tags_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp(3) data_sameline: ERROR, tag _tag appears more than once.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sameline.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp(15,1) data_loctag: ERROR, incorrect CIF syntax:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, compiler could not recover from errors, quitting now -- 1 error(s) detected.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/save_block_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/shift-precision.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp(1) data_more_than_one: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-in-dataname.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(1) data_spaces_without_quotes: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(2) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(3) data_spaces_without_quotes: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(4) data_spaces_without_quotes: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(6) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(9) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp(12) data_spaces_without_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/spaces-without-quotes.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp(2,27) data_entities: WARNING, non-ascii symbols encountered in the text:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/sqbr-entities.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp(2,1): ERROR, STOP_ symbol detected -- it is not acceptable in CIF v1.1:scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp(2) data_asoads_stop_somedasa: WARNING, the dataname apparently had spaces in it -- replaced spaces with underscores.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stop_errors_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/strange-multiline.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/stray.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp(1): WARNING, no data block heading (i.e. data_somecif) found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tag_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp(4) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp(5) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_cif_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_numbers_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp(6) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp(7) data_loctag: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_sqbrack_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/test_wspace_lines_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_03.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/tst_04.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(3) data_unclosed: WARNING, double-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(4) data_unclosed: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(6) data_unclosed: WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp(7) data_unclosed: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolded_title.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unfolding.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unprefix-test.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_01.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/unquoted_str_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-newlines.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(2,19): NOTE, unallowed symbol in CIF comment was encountered and ignored.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp(12) data_(5): WARNING, single-quoted string is missing a closing quote -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/weird-unclosed-quote.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp(1): WARNING, stray CIF values at the beginning of the input file.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: WARNING, file seems to be empty.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/whitespace_02.inp: ERROR, file became empty after filtering with cif_filter. > scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp(2) data_no_quotes: WARNING, string with spaces without quotes -- fixed.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: WARNING, no data blocks that contain coordinates found.scripts/cod_predeposition_check: tests/inputs/cif-parser-tests/without-quotes.inp: ERROR, file became empty after filtering with cif_filter. > CIF data_9003354 > CIF _cod_data_source_file 9003354-unexprected-loop-end.inp > CIF _cod_data_source_block 9003354 > CIF loop_ > CIF _atom_site_label > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF _atom_site_occupancy > CIF _atom_site_uiso_or_equiv > CIF SiT1 0.30126 0.07249 0.04190 0.81400 0.01494 > CIF SiT1* -0.30126 -0.07249 -0.04190 0.81400 0.01494 > CIF SiT2 0.30343 0.30905 0.04570 0.81400 0.01672 > CIF SiT2´ -0.30343 -0.30905 -0.04570 0.81400 0.01672 > CIF SiT3 0.08719 0.38323 0.25000 0.81400 0.01355 > CIF data_non_ascii > CIF _cod_data_source_file non-ascii.inp > CIF _cod_data_source_block non_ascii > CIF loop_ > CIF _atom_site_label > CIF SiT1* > CIF SiT2´ tests/cases/cod_predeposition_check_021.opt: FAILED: 2,11d1 < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.5 from 2014-11-21. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_exptl_crystal_density_meas' value 'not measured' was changed to '?' - the value is perceived as not measured. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, '_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+3.0698P] where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. A new data item '_refine_ls_weighting_details' was created with the value set to 'w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+3.0698P] where P=(Fo^2^+2Fc^2^)/3'. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'S. PHAN THANH' seems unusual. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, names should be written as 'First von Last', 'von Last, First', or 'von Last, Jr, First' (mind the case!). < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'J. MARROT' seems unusual. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'J. RENAUDIN' seems unusual. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif data_C5H17AlN2O8P2: NOTE, name 'V. MAISONNEUVE' seems unusual. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif: NOTE, 5 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/1000000-fake-on-hold.cif: NOTE, 3 WARNING(s) encountered. tests/cases/cod_predeposition_check_022.opt: FAILED: 1d0 < scripts/cod_predeposition_check: tests/inputs/Burford.cif: NOTE, 16 WARNING(s) encountered. tests/cases/cod_predeposition_check_023.opt: FAILED: 2,12c2,3 < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the data block does not contain symmetry operators. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: NOTE, '_refine_ls_weighting_scheme' value '2.90/[\s~2~(F)+0.001(F)~2~]' was changed to 'calc'. A new data item '_refine_ls_weighting_details' was created with the value set to 'w = 2.90/[\s~2~(F)+0.001(F)~2~]'. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the space group symmetry operation list was not provided. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: NOTE, data item '_refine_ls_R_factor_obs' value '0.15' is > 0.1. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, data item '_refine_ls_goodness_of_fit_obs' value '5.05' lies outside the range [0.6, 4]. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: ERROR, data item '_refine_ls_shift/esd_max' value '0.57' is > 0.2. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, data item '_refine_ls_wR_factor_obs' value '0.36' is > 0.35. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: NOTE, 1 NOTE(s) encountered. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: NOTE, 3 WARNING(s) encountered. < scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif: ERROR, 1 ERROR(s) encountered -- die on ERROR(s) requested. < scripts/cod_predeposition_check: cif_cod_check encountered 5 warning(s). --- > scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, the data block does not contain symmetry operators.Use of uninitialized value in concatenation (.) or string at line . > scripts/cod_predeposition_check: tests/inputs/2000373-merge-limits.cif data_2000373: WARNING, submitting author '' does not match any author in the data block author list ('Dapporto, P.', 'Paoli, P.', 'Sega, A.') -- will not deposit the structure, the prepublication structures and personal communications must be deposited by one of the authors. tests/cases/cod_predeposition_check_024.opt: FAILED: 1,4c1,66 < scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, data name '_chemical_name' is not recognised. < scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, structure is published after 1969, but does not contain temperature factors. < scripts/cod_predeposition_check: tests/inputs/04530.cif: NOTE, 1 WARNING(s) encountered. < scripts/cod_predeposition_check: cif_cod_check encountered 1 warning(s). --- > scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, data name '_chemical_name' is not recognised.scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated. > scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1. > scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated. > scripts/cod_predeposition_check: tests/inputs/04530.cif data_global: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1. > CIF data_global > CIF loop_ > CIF _publ_author_name > CIF 'Tschauner O' > CIF 'Kiefer B' > CIF 'Liu H' > CIF 'Sinogeikin S' > CIF 'Somayazulu M' > CIF 'Luo S-N' > CIF _publ_section_title > CIF ; > CIF Possible structural polymorphism in Al-bearing magnesiumsilicate > CIF post-perovskite Sample: 3X1 > CIF ; > CIF _journal_name_full 'American Mineralogist' > CIF _journal_page_first 533 > CIF _journal_page_last 539 > CIF _journal_volume 93 > CIF _journal_year > CIF _chemical_formula_sum 'Mg O3 Si' > CIF _space_group_IT_number 11 > CIF _symmetry_space_group_name_Hall '-P 2yb' > CIF _symmetry_space_group_name_H-M 'P 1 21/m 1' > CIF _cell_angle_alpha 90 > CIF _cell_angle_beta 98.75 > CIF _cell_angle_gamma 90 > CIF _cell_length_a 9.477 > CIF _cell_length_b 6.205 > CIF _cell_length_c 4.256 > CIF _cell_volume 247.360 > CIF _cod_data_source_file 04530.cif > CIF _cod_data_source_block global > CIF _cod_original_formula_sum 'Mg Si O3' > CIF #BEGIN Tags that were not found in dictionaries: > CIF _chemical_name MgSiO3 > CIF #END Tags that were not found in dictionaries > CIF loop_ > CIF _symmetry_equiv_pos_as_xyz > CIF x,y,z > CIF x,1/2-y,z > CIF -x,1/2+y,-z > CIF -x,-y,-z > CIF loop_ > CIF _atom_site_label > CIF _atom_site_fract_x > CIF _atom_site_fract_y > CIF _atom_site_fract_z > CIF Mg1 0.04200 0.25000 0.51400 > CIF Mg2 0.30300 0.25000 0.07300 > CIF Mg3 0.55900 0.25000 0.98900 > CIF Mg4 0.79900 0.25000 0.89500 > CIF Si1 0.00000 0.00000 0.00000 > CIF Si2 0.50000 0.00000 0.50000 > CIF Si3 0.24700 0.50100 0.58300 > CIF O1 0.98500 0.25000 0.11100 > CIF O2 0.23000 0.25000 0.45500 > CIF O3 0.48000 0.25000 0.36800 > CIF O4 0.73520 0.25000 0.28700 > CIF O5 0.84500 0.55900 0.12500 > CIF O6 0.90600 0.44300 0.64700 > CIF O7 0.34300 0.55600 0.28300 > CIF O8 0.40700 0.44400 0.80100 tests/cases/cod_predeposition_check_025.opt: OK tests/cases/cod_predeposition_check_026.opt: OK tests/cases/cod_predeposition_check_027.opt: FAILED: 1,2d0 < scripts/cod_predeposition_check: tests/inputs/8100760-Fake-on-hold.cif data_8100760: NOTE, '_chemical_melting_point' value '104\/oC' was changed to '377.15' - it was converted from degrees Celsius(C) to Kelvins(K). < scripts/cod_predeposition_check: tests/inputs/8100760-Fake-on-hold.cif: NOTE, 2 WARNING(s) encountered. tests/cases/cod_predeposition_check_028.opt: OK tests/cases/cod_predeposition_check_029.opt: OK tests/cases/cod_predeposition_check_030.opt: OK tests/cases/cod_predeposition_check_031.opt: FAILED: 1,12c1 < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_1: NOTE, '_geom_angle_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.5 from 2014-11-21 (799 times). < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_1: NOTE, '_geom_bond_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.5 from 2014-11-21 (102 times). < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_2: NOTE, '_geom_angle_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.5 from 2014-11-21 (28 times). < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_phase_2: NOTE, '_geom_bond_publ_flag' value 'N' changed to 'n' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.5 from 2014-11-21 (14 times). < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif: NOTE, 12 WARNING(s) encountered. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised. < scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised. < CIF data_A_BA4TA2O9_RT_phase_1 --- > scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_min' is not recognised.scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_exptl_extinct_corr_t_max' is not recognised.scripts/cod_predeposition_check: tests/inputs/cm903170t_si_001-filtered-with-cell.cif data_A_BA4TA2O9_RT_p_01: WARNING, data name '_gsas_i100_meas' is not recognised.CIF data_A_BA4TA2O9_RT_phase_1 tests/cases/cod_predeposition_check_032.opt: OK tests/cases/cod_predeposition_check_033.opt: Test skipped - not running tests requiring network access tests/cases/dic2markdown_001.inp: OK tests/cases/dic2markdown_002.inp: OK tests/cases/dic2markdown_003.inp: OK tests/cases/dic2markdown_004.inp: OK tests/cases/dic2markdown_005.inp: OK tests/cases/msg_parse_001.inp: OK tests/cases/msg_parse_002.inp: OK tests/cases/msg_parse_003.inp: OK tests/cases/msg_parse_004.inp: OK tests/cases/msg_parse_005.inp: OK tests/cases/msg_parse_006.inp: OK tests/cases/oqmd2cif_001.opt: OK tests/cases/oqmd2cif_002.opt: OK tests/cases/oqmd2cif_003.opt: OK tests/cases/sdf_add_cod_data_001.opt: OK tests/cases/sdf_add_cod_data_002.opt: OK tests/cases/sdf_add_cod_data_003.opt: OK tests/cases/sdf_add_cod_data_004.opt: OK tests/cases/ssg3d_001.inp: OK tests/cases/ssg3d_002.inp: OK tests/cases/ssg3d_003.inp: OK tests/cases/ssg3d_004.inp: OK tests/cases/ssg3d_005.inp: OK tests/cases/ssg3d_006.inp: OK tests/cases/ssg3d_007.inp: OK tests/cases/ssg3d_008.inp: OK tests/cases/ssg3d_009.inp: OK tests/cases/ssg_symop_canonical_001.inp: OK tests/cases/ssg_symop_canonical_002.inp: OK tests/cases/ssg_symop_canonical_003.inp: OK tests/cases/ssg_symop_canonical_004.inp: OK tests/cases/ssg_symop_check_001.inp: OK tests/cases/ssg_symop_check_002.inp: OK tests/cases/ssg_symop_check_003.inp: OK tests/cases/ssg_symop_check_004.inp: OK tests/cases/ssg_symop_check_005.inp: OK tests/cases/ssg_symop_matrices_001.inp: OK tests/cases/ssg_symop_matrices_002.inp: OK tests/cases/ssg_symop_matrices_003.inp: OK tests/cases/ssg_symop_string_001.inp: OK tests/cases/symop_build_spacegroup_001.inp: OK tests/cases/symop_build_spacegroup_002.inp: OK tests/cases/symop_build_spacegroup_003.inp: OK tests/cases/symop_build_spacegroup_004.inp: OK tests/cases/symop_build_spacegroup_005.inp: OK tests/cases/symop_build_spacegroup_006.inp: OK tests/cases/symop_build_spacegroup_007.inp: OK tests/cases/symop_build_spacegroup_008.inp: OK tests/cases/symop_build_spacegroup_009.inp: OK tests/cases/symop_build_spacegroup_010.inp: OK tests/cases/symop_build_spacegroup_011.inp: OK tests/cases/symop_build_spacegroup_012.inp: OK tests/cases/symop_build_spacegroup_013.inp: OK tests/cases/symop_build_spacegroup_014.inp: OK tests/cases/symop_build_spacegroup_015.inp: OK tests/cases/symop_build_spacegroup_016.inp: OK tests/cases/symop_build_spacegroup_017.inp: OK tests/cases/symop_build_spacegroup_018.inp: OK tests/cases/symop_build_spacegroup_019.inp: OK tests/cases/symop_build_spacegroup_020.inp: OK tests/cases/utf8-to-cif_001.inp: OK tests/cases/utf8-to-cif_002.inp: OK tests/cases/utf8-to-cif_003.inp: OK tests/cases/utf8-to-cif_004.inp: OK tests/shtests/parse_datetime_001.sh: OK tests/shtests/cod_manage_related_003.sh: OK tests/shtests/cif2json_004.sh: OK tests/shtests/molcif2sdf_004.sh: ./tests/shtests/molcif2sdf_004.chk: 3: ./tests/shtests/molcif2sdf_004.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.2 tests/shtests/have_equiv_timestamps_001.sh: OK tests/shtests/have_equiv_lattices_002.sh: OK tests/shtests/cif_split_002.sh: OK tests/shtests/check_spacegroups_004.sh: OK tests/shtests/cif_find_duplicates_010.sh: OK tests/shtests/cif_find_duplicates_001.sh: OK tests/shtests/cif_split_primitive_006.sh: OK tests/shtests/neighbour_list_from_obmol_001.sh: ./tests/shtests/neighbour_list_from_obmol_001.chk: 3: ./tests/shtests/neighbour_list_from_obmol_001.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/cif2json_002.sh: OK tests/shtests/has_inapplicable_value_003.sh: OK tests/shtests/are_equiv_meas_003.sh: OK tests/shtests/have_equiv_lattices_009.sh: OK tests/shtests/cif_tcod_tree_003.sh: FAILED: 7,8d6 < ./tmp-cif_tcod_tree_003/0/aiida.err < ./tmp-cif_tcod_tree_003/0/aiida.in 10d7 < ./tmp-cif_tcod_tree_003/0/aiida.out 13a11,13 > ./tmp-cif_tcod_tree_003/0/aiida.err > ./tmp-cif_tcod_tree_003/0/aiida.in > ./tmp-cif_tcod_tree_003/0/aiida.out 17,18d16 < ./tmp-cif_tcod_tree_003/1/aiida.err < ./tmp-cif_tcod_tree_003/1/aiida.in 20d17 < ./tmp-cif_tcod_tree_003/1/aiida.out 23a21,23 > ./tmp-cif_tcod_tree_003/1/aiida.err > ./tmp-cif_tcod_tree_003/1/aiida.in > ./tmp-cif_tcod_tree_003/1/aiida.out 27,28d26 < ./tmp-cif_tcod_tree_003/2/aiida.err < ./tmp-cif_tcod_tree_003/2/aiida.in 30d27 < ./tmp-cif_tcod_tree_003/2/aiida.out 33a31,33 > ./tmp-cif_tcod_tree_003/2/aiida.err > ./tmp-cif_tcod_tree_003/2/aiida.in > ./tmp-cif_tcod_tree_003/2/aiida.out 40,41d39 < ./tmp-cif_tcod_tree_003/3/aiida.err < ./tmp-cif_tcod_tree_003/3/aiida.in 43d40 < ./tmp-cif_tcod_tree_003/3/aiida.out 46a44,46 > ./tmp-cif_tcod_tree_003/3/aiida.err > ./tmp-cif_tcod_tree_003/3/aiida.in > ./tmp-cif_tcod_tree_003/3/aiida.out tests/shtests/cif_printout_Python_005.sh: OK tests/shtests/cif_printout_Python_003.sh: OK tests/shtests/cif_disorder_groups_004.sh: OK tests/shtests/have_equiv_timestamps_007.sh: OK tests/shtests/cif_disorder_groups_003.sh: OK tests/shtests/set_loop_tag_010.sh: OK tests/shtests/set_loop_tag_001.sh: OK tests/shtests/cif_find_duplicates_009.sh: OK tests/shtests/cif_split_primitive_005.sh: OK tests/shtests/have_equiv_lattices_006.sh: OK tests/shtests/sprint_message_001.sh: OK tests/shtests/symop_algebra_002.sh: OK tests/shtests/check_spacegroups_005.sh: OK tests/shtests/cif_CODify_001.sh: OK tests/shtests/have_equiv_bibliographies_005.sh: OK tests/shtests/check_mandatory_presence_001.sh: OK tests/shtests/neighbour_list_from_mol_001.sh: Test skipped - no Chemistry::Mol and/or Chemistry::File::SMILES tests/shtests/has_inapplicable_value_001.sh: OK tests/shtests/cif_tcod_tree_001.sh: FAILED: 7,8d6 < ./tmp-cif_tcod_tree_001/0/aiida.err < ./tmp-cif_tcod_tree_001/0/aiida.in 10d7 < ./tmp-cif_tcod_tree_001/0/aiida.out 13a11,13 > ./tmp-cif_tcod_tree_001/0/aiida.err > ./tmp-cif_tcod_tree_001/0/aiida.in > ./tmp-cif_tcod_tree_001/0/aiida.out 17,18d16 < ./tmp-cif_tcod_tree_001/1/aiida.err < ./tmp-cif_tcod_tree_001/1/aiida.in 20d17 < ./tmp-cif_tcod_tree_001/1/aiida.out 23a21,23 > ./tmp-cif_tcod_tree_001/1/aiida.err > ./tmp-cif_tcod_tree_001/1/aiida.in > ./tmp-cif_tcod_tree_001/1/aiida.out 27,28d26 < ./tmp-cif_tcod_tree_001/2/aiida.err < ./tmp-cif_tcod_tree_001/2/aiida.in 30d27 < ./tmp-cif_tcod_tree_001/2/aiida.out 33a31,33 > ./tmp-cif_tcod_tree_001/2/aiida.err > ./tmp-cif_tcod_tree_001/2/aiida.in > ./tmp-cif_tcod_tree_001/2/aiida.out 40,41d39 < ./tmp-cif_tcod_tree_001/3/aiida.err < ./tmp-cif_tcod_tree_001/3/aiida.in 43d40 < ./tmp-cif_tcod_tree_001/3/aiida.out 46a44,46 > ./tmp-cif_tcod_tree_001/3/aiida.err > ./tmp-cif_tcod_tree_001/3/aiida.in > ./tmp-cif_tcod_tree_001/3/aiida.out tests/shtests/cif_printout_Python_001.sh: OK tests/shtests/set_loop_tag_009.sh: OK tests/shtests/cif_split_primitive_007.sh: OK tests/shtests/have_equiv_timestamps_009.sh: OK tests/shtests/cif_disorder_groups_001.sh: OK tests/shtests/find_numbers_005.sh: OK tests/shtests/molcif2sdf_002.sh: ./tests/shtests/molcif2sdf_002.chk: 3: ./tests/shtests/molcif2sdf_002.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/have_equiv_bibliographies_008.sh: OK tests/shtests/have_equiv_timestamps_004.sh: OK tests/shtests/have_equiv_lattices_008.sh: OK tests/shtests/cif_split_003.sh: OK tests/shtests/check_mandatory_presence_003.sh: OK tests/shtests/check_version_option.sh: FAILED: 0a1 > scripts/cif_parse_old_star: No --version option tests/shtests/cif_hkl_check_002.sh: OK tests/shtests/cif_split_primitive_002.sh: OK tests/shtests/cif_find_duplicates_003.sh: OK tests/shtests/cif2json_003.sh: OK tests/shtests/check_occupancies_003.sh: OK tests/shtests/have_equiv_bibliographies_007.sh: OK tests/shtests/cif_cod_numbers_001.sh: Test skipped - not running tests requiring network access tests/shtests/cif_tcod_tree_005.sh: FAILED: 6a7,8 > ./tmp-cif_tcod_tree_005/0/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_005/0/_aiidasubmit.sh 9d10 < ./tmp-cif_tcod_tree_005/0/.aiida/job_tmpl.json 11d11 < ./tmp-cif_tcod_tree_005/0/_aiidasubmit.sh 14a15,16 > ./tmp-cif_tcod_tree_005/1/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_005/1/_aiidasubmit.sh 17d18 < ./tmp-cif_tcod_tree_005/1/.aiida/job_tmpl.json 19d19 < ./tmp-cif_tcod_tree_005/1/_aiidasubmit.sh 22a23,24 > ./tmp-cif_tcod_tree_005/2/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_005/2/_aiidasubmit.sh 25d26 < ./tmp-cif_tcod_tree_005/2/.aiida/job_tmpl.json 27d27 < ./tmp-cif_tcod_tree_005/2/_aiidasubmit.sh 41d40 < ./tmp-cif_tcod_tree_005/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in 43a43 > ./tmp-cif_tcod_tree_005/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in 48,49d47 < ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err < ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out 51a50,51 > ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err > ./tmp-cif_tcod_tree_005/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out 66d65 < ./tmp-cif_tcod_tree_005/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in 68a68 > ./tmp-cif_tcod_tree_005/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in 75d74 < ./tmp-cif_tcod_tree_005/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in 77a77 > ./tmp-cif_tcod_tree_005/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in 82,83d81 < ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err < ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out 85a84,85 > ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err > ./tmp-cif_tcod_tree_005/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out 95,96d94 < ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err < ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out 98a97,98 > ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err > ./tmp-cif_tcod_tree_005/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out tests/shtests/neighbour_list_from_obmol_003.sh: ./tests/shtests/neighbour_list_from_obmol_003.chk: 3: ./tests/shtests/neighbour_list_from_obmol_003.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/has_unknown_value_002.sh: OK tests/shtests/are_equiv_meas_006.sh: OK tests/shtests/check_option_descriptions.sh: FAILED: 1a2 > scripts/cif_CODify: options "--authors", "-a", "--journal", "-j", "--volume", "-v", "--issue", "-i", "--page", "-p", "--start-page", "--end-page", "-e", "--year", "-y", "--doi", "-D", "--bibliography", "-B", "--bibliography", "--leave-bibliography", "--discard-bibliography", "--leave-title", "--global-priority", "-g", "--no-global-priority", "-g-", "--exclude-publication-details", "--dont-exclude-publication-details", "--no-exclude-publication-details", "--add-cif-header", "-h", "--estimate-spacegroup", "-s", "--no-estimate-spacegroup", "-s-", "--dont-estimate-spacegroup", "--keep-unrecognised-spacegroups", "--dont-keep-unrecognised-spacegroups", "--no-keep-unrecognised-spacegroups", "--reformat-spacegroup", "--reformat-space-group", "--leave-space-group", "--dont-reformat-space-group", "--leave-spacegroup", "--dont-reformat-spacegroup", "--exclude-empty-tags", "--no-exclude-empty-tags", "--dont-exclude-empty-tags", "--placeholder-tag-list", "--exclude-placeholder-tags", "--no-exclude-placeholder-tags", "--dont-exclude-placeholder-tags", "--exclude-redundant-chemical-names", "--dont-exclude-redundant-chemical-names", "--no-exclude-redundant-chemical-names", "--exclude-empty-non-loop-tags", "--dont-exclude-non-loop-empty-tags", "--no-exclude-non-loop-empty-tags", "--exclude-unknown-tags", "--no-exclude-unknown-tags", "--dont-exclude-unknown-tags", "--exclude-unknown-non-loop-tags", "--dont-exclude-non-loop-unknown-tags", "--no-exclude-non-loop-unknown-tags", "--extra-tag-list", "-x", "--exclude-misspelled-tags", "--dont-exclude-misspelled-tags", "--no-exclude-misspelled-tags", "--parse-formula-sum", "--no-parse-formula-sum", "--dont-parse-formula-sum", "--fix-syntax-errors", "--no-fix-syntax-errors", "--dont-fix-syntax-errors", "--retain-tag-order", "--dont-retain-tag-order", "--preserve-loop-order", "--use-internal-loop-order", "--calculate-cell-volume", "--dont-calculate-cell-volume", "--original-filename", "--clear-original-filename", "--record-original-filename", "--dont-record-original-filename", "--start-data-block-number", "-S", "--datablock-format", "-d", "--renumber-data-blocks", "-R", "--dont-renumber-data-blocks", "-R-", "--original-filename-tag", "--original-data-block-tag", "--database-code-tag", "--update-database-code", "--dont-update-database-code", "--use-datablocks-without-coordinates", "--use-all-datablocks", "--do-not-use-datablocks-without-coordinates", "--dont-use-datablocks-without-coordinates", "--no-use-datablocks-without-coordinates", "--skip-datablocks-without-coordinates", "--use-datablocks-with-structure-factors", "--dont-use-datablocks-with-structure-factors", "--no-use-datablocks-with-structure-factors", "--skip-datablocks-with-structure-factors", "--folding-width", "--fold-title", "--dont-fold-title", "--fold-long-fields", "--dont-fold-long-fields", "--use-perl-parser", "--use-c-parser", "--cif-input", "--json-input", "--cif-output", "--json-output", "--cif", "--json" are described in help, but no longer exist. 4d4 < scripts/cif_CODify: options "--authors", "-a", "--journal", "-j", "--volume", "-v", "--issue", "-i", "--page", "-p", "--start-page", "--end-page", "-e", "--year", "-y", "--doi", "-D", "--bibliography", "-B", "--bibliography", "--leave-bibliography", "--discard-bibliography", "--leave-title", "--global-priority", "-g", "--no-global-priority", "-g-", "--exclude-publication-details", "--dont-exclude-publication-details", "--no-exclude-publication-details", "--add-cif-header", "-h", "--estimate-spacegroup", "-s", "--no-estimate-spacegroup", "-s-", "--dont-estimate-spacegroup", "--keep-unrecognised-spacegroups", "--dont-keep-unrecognised-spacegroups", "--no-keep-unrecognised-spacegroups", "--reformat-spacegroup", "--reformat-space-group", "--leave-space-group", "--dont-reformat-space-group", "--leave-spacegroup", "--dont-reformat-spacegroup", "--exclude-empty-tags", "--no-exclude-empty-tags", "--dont-exclude-empty-tags", "--placeholder-tag-list", "--exclude-placeholder-tags", "--no-exclude-placeholder-tags", "--dont-exclude-placeholder-tags", "--exclude-redundant-chemical-names", "--dont-exclude-redundant-chemical-names", "--no-exclude-redundant-chemical-names", "--exclude-empty-non-loop-tags", "--dont-exclude-non-loop-empty-tags", "--no-exclude-non-loop-empty-tags", "--exclude-unknown-tags", "--no-exclude-unknown-tags", "--dont-exclude-unknown-tags", "--exclude-unknown-non-loop-tags", "--dont-exclude-non-loop-unknown-tags", "--no-exclude-non-loop-unknown-tags", "--extra-tag-list", "-x", "--exclude-misspelled-tags", "--dont-exclude-misspelled-tags", "--no-exclude-misspelled-tags", "--parse-formula-sum", "--no-parse-formula-sum", "--dont-parse-formula-sum", "--fix-syntax-errors", "--no-fix-syntax-errors", "--dont-fix-syntax-errors", "--retain-tag-order", "--dont-retain-tag-order", "--preserve-loop-order", "--use-internal-loop-order", "--calculate-cell-volume", "--dont-calculate-cell-volume", "--original-filename", "--clear-original-filename", "--record-original-filename", "--dont-record-original-filename", "--start-data-block-number", "-S", "--datablock-format", "-d", "--renumber-data-blocks", "-R", "--dont-renumber-data-blocks", "-R-", "--original-filename-tag", "--original-data-block-tag", "--database-code-tag", "--update-database-code", "--dont-update-database-code", "--use-datablocks-without-coordinates", "--use-all-datablocks", "--do-not-use-datablocks-without-coordinates", "--dont-use-datablocks-without-coordinates", "--no-use-datablocks-without-coordinates", "--skip-datablocks-without-coordinates", "--use-datablocks-with-structure-factors", "--dont-use-datablocks-with-structure-factors", "--no-use-datablocks-with-structure-factors", "--skip-datablocks-with-structure-factors", "--folding-width", "--fold-title", "--dont-fold-title", "--fold-long-fields", "--dont-fold-long-fields", "--use-perl-parser", "--use-c-parser", "--cif-input", "--json-input", "--cif-output", "--json-output", "--cif", "--json" are described in help, but no longer exist. 7a8 > scripts/cif_parse_old_star: options "--help", "--usage", "--version" are not described in help. tests/shtests/cif_split_primitive_008.sh: OK tests/shtests/cif_split_001.sh: OK tests/shtests/cif_find_duplicates_006.sh: OK tests/shtests/have_equiv_timestamps_006.sh: OK tests/shtests/cif_hkl_check_001.sh: OK tests/shtests/check_help_option.sh: FAILED: 0a1,2 > Can't locate STAR/Parser.pm in @INC (you may need to install the STAR::Parser module) (@INC contains: /build/cod-tools-2.3+dfsg/src/lib/perl5 /etc/perl /usr/local/lib/i386-linux-gnu/perl/5.28.1 /usr/local/share/perl/5.28.1 /usr/lib/i386-linux-gnu/perl5/5.28 /usr/share/perl5 /usr/lib/i386-linux-gnu/perl/5.28 /usr/share/perl/5.28 /usr/local/lib/site_perl /usr/lib/i386-linux-gnu/perl-base) at line . > BEGIN failed--compilation aborted at line . tests/shtests/cif_split_primitive_001.sh: OK tests/shtests/cif_print_loop_001.sh: OK tests/shtests/check_mandatory_presence_002.sh: OK tests/shtests/symop_algebra_003.sh: OK tests/shtests/check_spacegroups_002.sh: OK tests/shtests/canonicalize_author_name_001.sh: OK tests/shtests/new_datablock_001.sh: OK tests/shtests/cif2json_001.sh: OK tests/shtests/check_occupancies_001.sh: OK tests/shtests/has_unknown_value_003.sh: OK tests/shtests/have_equiv_lattices_005.sh: OK tests/shtests/cif2ref_001.sh: OK tests/shtests/set_tag_001.sh: OK tests/shtests/set_loop_tag_007.sh: OK tests/shtests/set_loop_tag_003.sh: OK tests/shtests/set_loop_tag_005.sh: OK tests/shtests/find_numbers_002.sh: OK tests/shtests/set_loop_tag_008.sh: OK tests/shtests/find_numbers_003.sh: OK tests/shtests/rename_tag_001.sh: OK tests/shtests/codcif2sdf_004.sh: ./tests/shtests/codcif2sdf_004.chk: 3: ./tests/shtests/codcif2sdf_004.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.2 tests/shtests/has_numeric_value_001.sh: OK tests/shtests/cif_print_loop_002.sh: OK tests/shtests/symop_algebra_001.sh: OK tests/shtests/cif_tcod_tree_006.sh: OK tests/shtests/set_loop_tag_012.sh: OK tests/shtests/cif_split_primitive_003.sh: OK tests/shtests/has_special_value_001.sh: OK tests/shtests/codcif2sdf_002.sh: ./tests/shtests/codcif2sdf_002.chk: 3: ./tests/shtests/codcif2sdf_002.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/check_occupancies_002.sh: OK tests/shtests/neighbour_list_from_obmol_002.sh: ./tests/shtests/neighbour_list_from_obmol_002.chk: 3: ./tests/shtests/neighbour_list_from_obmol_002.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/are_equiv_meas_005.sh: OK tests/shtests/has_unknown_value_001.sh: OK tests/shtests/have_equiv_bibliographies_002.sh: OK tests/shtests/cif_tcod_tree_004.sh: OK tests/shtests/cif-to-utf8_001.sh: OK tests/shtests/cif_printout_Python_004.sh: OK tests/shtests/cif_disorder_groups_007.sh: OK tests/shtests/cif_disorder_groups_005.sh: OK tests/shtests/cif_disorder_groups_006.sh: OK tests/shtests/molcif2sdf_001.sh: ./tests/shtests/molcif2sdf_001.chk: 3: ./tests/shtests/molcif2sdf_001.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/have_equiv_timestamps_002.sh: OK tests/shtests/are_equiv_meas_008.sh: OK tests/shtests/cif_split_primitive_010.sh: OK tests/shtests/cif_parse_001.sh: OK tests/shtests/have_equiv_lattices_003.sh: OK tests/shtests/cif_molecule_001.sh: Test skipped - no AtomClassifier.pm tests/shtests/sprint_table_001.sh: OK tests/shtests/parse_datetime_002.sh: OK tests/shtests/cif_find_duplicates_002.sh: OK tests/shtests/have_equiv_timestamps_008.sh: OK tests/shtests/escape_001.sh: OK tests/shtests/have_equiv_bibliographies_003.sh: OK tests/shtests/cod_manage_related_002.sh: OK tests/shtests/cif_cod_numbers_002.sh: Test skipped - not running tests requiring network access tests/shtests/have_equiv_lattices_004.sh: OK tests/shtests/are_equiv_meas_007.sh: OK tests/shtests/cod_manage_related_001.sh: OK tests/shtests/cif_split_primitive_004.sh: OK tests/shtests/has_inapplicable_value_002.sh: OK tests/shtests/set_loop_tag_004.sh: OK tests/shtests/cif2json_005.sh: OK tests/shtests/set_loop_tag_006.sh: OK tests/shtests/set_loop_tag_002.sh: OK tests/shtests/find_numbers_004.sh: OK tests/shtests/cif_filter_001.sh: OK tests/shtests/cif_split_primitive_009.sh: OK tests/shtests/have_equiv_lattices_001.sh: OK tests/shtests/codcif2sdf_003.sh: ./tests/shtests/codcif2sdf_003.chk: 3: ./tests/shtests/codcif2sdf_003.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.2 tests/shtests/set_loop_tag_013.sh: OK tests/shtests/molcif2sdf_003.sh: ./tests/shtests/molcif2sdf_003.chk: 3: ./tests/shtests/molcif2sdf_003.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.2 tests/shtests/check_mandatory_presence_004.sh: OK tests/shtests/check_spacegroups_001.sh: OK tests/shtests/cif_find_duplicates_005.sh: OK tests/shtests/cif_CODify_002.sh: OK tests/shtests/check_occupancies_004.sh: OK tests/shtests/have_equiv_bibliographies_009.sh: OK tests/shtests/are_equiv_meas_001.sh: OK tests/shtests/neighbour_list_from_mol_002.sh: Test skipped - no Chemistry::Mol and/or Chemistry::File::SMILES tests/shtests/formula_sum_001.sh: OK tests/shtests/cif_tcod_tree_007.sh: FAILED: 6a7,8 > ./tmp-cif_tcod_tree_007/0/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_007/0/_aiidasubmit.sh 9d10 < ./tmp-cif_tcod_tree_007/0/.aiida/job_tmpl.json 11d11 < ./tmp-cif_tcod_tree_007/0/_aiidasubmit.sh 14a15,16 > ./tmp-cif_tcod_tree_007/1/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_007/1/_aiidasubmit.sh 17d18 < ./tmp-cif_tcod_tree_007/1/.aiida/job_tmpl.json 19d19 < ./tmp-cif_tcod_tree_007/1/_aiidasubmit.sh 22a23,24 > ./tmp-cif_tcod_tree_007/2/.aiida/job_tmpl.json > ./tmp-cif_tcod_tree_007/2/_aiidasubmit.sh 25d26 < ./tmp-cif_tcod_tree_007/2/.aiida/job_tmpl.json 27d27 < ./tmp-cif_tcod_tree_007/2/_aiidasubmit.sh 41d40 < ./tmp-cif_tcod_tree_007/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in 43a43 > ./tmp-cif_tcod_tree_007/aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/aiida.in 48,49d47 < ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err < ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out 51a50,51 > ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.err > ./tmp-cif_tcod_tree_007/aiida/nodes/09/3c/bbf4-9880-4989-b9b2-5416cded56bb/path/aiida.out 66d65 < ./tmp-cif_tcod_tree_007/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in 68a68 > ./tmp-cif_tcod_tree_007/aiida/nodes/24/e1/40e8-a41e-42c7-bea9-70d00167068d/raw_input/aiida.in 75d74 < ./tmp-cif_tcod_tree_007/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in 77a77 > ./tmp-cif_tcod_tree_007/aiida/nodes/3e/35/c0b6-c486-4172-8f40-7e9391f89b02/raw_input/aiida.in 82,83d81 < ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err < ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out 85a84,85 > ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err > ./tmp-cif_tcod_tree_007/aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.out 95,96d94 < ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err < ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out 98a97,98 > ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.err > ./tmp-cif_tcod_tree_007/aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/aiida.out tests/shtests/cif_tcod_tree_002.sh: OK tests/shtests/cif_printout_Python_002.sh: OK tests/shtests/have_equiv_timestamps_005.sh: OK tests/shtests/set_loop_tag_011.sh: OK tests/shtests/cif_find_duplicates_004.sh: OK tests/shtests/cif_disorder_groups_002.sh: OK tests/shtests/find_numbers_001.sh: OK tests/shtests/have_equiv_timestamps_003.sh: OK tests/shtests/cif_find_duplicates_007.sh: OK tests/shtests/utf8-to-cif_001.sh: OK tests/shtests/have_equiv_bibliographies_004.sh: OK tests/shtests/msg_parse_001.sh: OK tests/shtests/check_spacegroups_003.sh: OK tests/shtests/symop_algebra_004.sh: OK tests/shtests/are_equiv_meas_004.sh: OK tests/shtests/cif_find_duplicates_008.sh: OK tests/shtests/codcif2sdf_001.sh: ./tests/shtests/codcif2sdf_001.chk: 3: ./tests/shtests/codcif2sdf_001.chk: babel: not found Test skipped - test only compatible with Open Babel version 2.3.0 tests/shtests/have_equiv_bibliographies_006.sh: OK tests/shtests/have_equiv_bibliographies_010.sh: OK tests/shtests/have_equiv_bibliographies_001.sh: OK tests/shtests/have_equiv_lattices_007.sh: OK tests/shtests/are_equiv_meas_002.sh: OK tools/help2man scripts/cif-to-utf8 --bugs-email cod-bugs@ibt.lt > doc/man/cif-to-utf8.1 tools/help2man scripts/cif2cod --bugs-email cod-bugs@ibt.lt > doc/man/cif2cod.1 tools/help2man scripts/cif2csv --bugs-email cod-bugs@ibt.lt > doc/man/cif2csv.1 tools/help2man scripts/cif2json --bugs-email cod-bugs@ibt.lt > doc/man/cif2json.1 tools/help2man scripts/cif2rdf --bugs-email cod-bugs@ibt.lt > doc/man/cif2rdf.1 tools/help2man scripts/cif2ref --bugs-email cod-bugs@ibt.lt > doc/man/cif2ref.1 tools/help2man scripts/cif2xyz --bugs-email cod-bugs@ibt.lt > doc/man/cif2xyz.1 tools/help2man scripts/cif_CODify --bugs-email cod-bugs@ibt.lt > doc/man/cif_CODify.1 tools/help2man scripts/cif_Fcalc --bugs-email cod-bugs@ibt.lt > doc/man/cif_Fcalc.1 tools/help2man scripts/cif_adjust_journal_name_volume --bugs-email cod-bugs@ibt.lt > doc/man/cif_adjust_journal_name_volume.1 tools/help2man scripts/cif_bounding_box --bugs-email cod-bugs@ibt.lt > doc/man/cif_bounding_box.1 tools/help2man scripts/cif_cell_contents --bugs-email cod-bugs@ibt.lt > doc/man/cif_cell_contents.1 tools/help2man scripts/cif_classify --bugs-email cod-bugs@ibt.lt > doc/man/cif_classify.1 tools/help2man scripts/cif_cod_check --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_check.1 tools/help2man scripts/cif_cod_deposit --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_deposit.1 tools/help2man scripts/cif_cod_numbers --bugs-email cod-bugs@ibt.lt > doc/man/cif_cod_numbers.1 tools/help2man scripts/cif_correct_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_correct_tags.1 tools/help2man scripts/cif_create_AMCSD_pressure_temp_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_create_AMCSD_pressure_temp_tags.1 tools/help2man scripts/cif_dictionary_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_dictionary_tags.1 tools/help2man scripts/cif_diff --bugs-email cod-bugs@ibt.lt > doc/man/cif_diff.1 tools/help2man scripts/cif_distances --bugs-email cod-bugs@ibt.lt > doc/man/cif_distances.1 tools/help2man scripts/cif_estimate_Z --bugs-email cod-bugs@ibt.lt > doc/man/cif_estimate_Z.1 tools/help2man scripts/cif_eval_numbers --bugs-email cod-bugs@ibt.lt > doc/man/cif_eval_numbers.1 tools/help2man scripts/cif_fillcell --bugs-email cod-bugs@ibt.lt > doc/man/cif_fillcell.1 tools/help2man scripts/cif_filter --bugs-email cod-bugs@ibt.lt > doc/man/cif_filter.1 tools/help2man scripts/cif_find_duplicates --bugs-email cod-bugs@ibt.lt > doc/man/cif_find_duplicates.1 tools/help2man scripts/cif_find_symmetry --bugs-email cod-bugs@ibt.lt > doc/man/cif_find_symmetry.1 tools/help2man scripts/cif_fix_values --bugs-email cod-bugs@ibt.lt > doc/man/cif_fix_values.1 tools/help2man scripts/cif_hkl_COD_number --bugs-email cod-bugs@ibt.lt > doc/man/cif_hkl_COD_number.1 tools/help2man scripts/cif_hkl_check --bugs-email cod-bugs@ibt.lt > doc/man/cif_hkl_check.1 tools/help2man scripts/cif_mark_disorder --bugs-email cod-bugs@ibt.lt > doc/man/cif_mark_disorder.1 tools/help2man scripts/cif_merge --bugs-email cod-bugs@ibt.lt > doc/man/cif_merge.1 tools/help2man scripts/cif_molecule --bugs-email cod-bugs@ibt.lt > doc/man/cif_molecule.1 tools/help2man scripts/cif_mpod_v1_to_v2 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v1_to_v2.1 tools/help2man scripts/cif_mpod_v1_to_v3 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v1_to_v3.1 tools/help2man scripts/cif_mpod_v2_to_v1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v2_to_v1.1 tools/help2man scripts/cif_mpod_v3_to_v1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_mpod_v3_to_v1.1 tools/help2man scripts/cif_overlay --bugs-email cod-bugs@ibt.lt > doc/man/cif_overlay.1 tools/help2man scripts/cif_p1 --bugs-email cod-bugs@ibt.lt > doc/man/cif_p1.1 tools/help2man scripts/cif_parse --bugs-email cod-bugs@ibt.lt > doc/man/cif_parse.1 tools/help2man scripts/cif_parse_old_star --bugs-email cod-bugs@ibt.lt > doc/man/cif_parse_old_star.1 tools/help2man scripts/cif_printout --bugs-email cod-bugs@ibt.lt > doc/man/cif_printout.1 tools/help2man scripts/cif_reduce_Niggli --bugs-email cod-bugs@ibt.lt > doc/man/cif_reduce_Niggli.1 tools/help2man scripts/cif_reduce_cell --bugs-email cod-bugs@ibt.lt > doc/man/cif_reduce_cell.1 tools/help2man scripts/cif_reformat_AMCSD_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_AMCSD_author_names.1 tools/help2man scripts/cif_reformat_pubmed_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_pubmed_author_names.1 tools/help2man scripts/cif_reformat_uppercase_author_names --bugs-email cod-bugs@ibt.lt > doc/man/cif_reformat_uppercase_author_names.1 tools/help2man scripts/cif_select --bugs-email cod-bugs@ibt.lt > doc/man/cif_select.1 tools/help2man scripts/cif_set_value --bugs-email cod-bugs@ibt.lt > doc/man/cif_set_value.1 tools/help2man scripts/cif_sort_atoms --bugs-email cod-bugs@ibt.lt > doc/man/cif_sort_atoms.1 tools/help2man scripts/cif_split --bugs-email cod-bugs@ibt.lt > doc/man/cif_split.1 tools/help2man scripts/cif_split_primitive --bugs-email cod-bugs@ibt.lt > doc/man/cif_split_primitive.1 tools/help2man scripts/cif_symop_apply --bugs-email cod-bugs@ibt.lt > doc/man/cif_symop_apply.1 tools/help2man scripts/cif_tags_in_list --bugs-email cod-bugs@ibt.lt > doc/man/cif_tags_in_list.1 tools/help2man scripts/cif_tcod_tree --bugs-email cod-bugs@ibt.lt > doc/man/cif_tcod_tree.1 tools/help2man scripts/cif_validate --bugs-email cod-bugs@ibt.lt > doc/man/cif_validate.1 tools/help2man scripts/cif_values --bugs-email cod-bugs@ibt.lt > doc/man/cif_values.1 tools/help2man scripts/cod-tools-version --bugs-email cod-bugs@ibt.lt > doc/man/cod-tools-version.1 tools/help2man scripts/cod2rdf --bugs-email cod-bugs@ibt.lt > doc/man/cod2rdf.1 tools/help2man scripts/cod_fetch --bugs-email cod-bugs@ibt.lt > doc/man/cod_fetch.1 tools/help2man scripts/cod_manage_related --bugs-email cod-bugs@ibt.lt > doc/man/cod_manage_related.1 tools/help2man scripts/cod_predeposition_check --bugs-email cod-bugs@ibt.lt > doc/man/cod_predeposition_check.1 tools/help2man scripts/codcif2sdf --bugs-email cod-bugs@ibt.lt > doc/man/codcif2sdf.1 tools/help2man scripts/dic2markdown --bugs-email cod-bugs@ibt.lt > doc/man/dic2markdown.1 tools/help2man scripts/fetch_cif_dict --bugs-email cod-bugs@ibt.lt > doc/man/fetch_cif_dict.1 tools/help2man scripts/find_numbers --bugs-email cod-bugs@ibt.lt > doc/man/find_numbers.1 tools/help2man scripts/formula_sum --bugs-email cod-bugs@ibt.lt > doc/man/formula_sum.1 tools/help2man scripts/json2cif --bugs-email cod-bugs@ibt.lt > doc/man/json2cif.1 tools/help2man scripts/molcif2sdf --bugs-email cod-bugs@ibt.lt > doc/man/molcif2sdf.1 tools/help2man scripts/msg_parse --bugs-email cod-bugs@ibt.lt > doc/man/msg_parse.1 tools/help2man scripts/oqmd2cif --bugs-email cod-bugs@ibt.lt > doc/man/oqmd2cif.1 tools/help2man scripts/sdf_add_cod_data --bugs-email cod-bugs@ibt.lt > doc/man/sdf_add_cod_data.1 tools/help2man scripts/ssg3d --bugs-email cod-bugs@ibt.lt > doc/man/ssg3d.1 tools/help2man scripts/ssg_symop_canonical --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_canonical.1 tools/help2man scripts/ssg_symop_check --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_check.1 tools/help2man scripts/ssg_symop_matrices --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_matrices.1 tools/help2man scripts/ssg_symop_string --bugs-email cod-bugs@ibt.lt > doc/man/ssg_symop_string.1 tools/help2man scripts/symop_build_spacegroup --bugs-email cod-bugs@ibt.lt > doc/man/symop_build_spacegroup.1 tools/help2man scripts/utf8-to-cif --bugs-email cod-bugs@ibt.lt > doc/man/utf8-to-cif.1 tools/help2man scripts/cif_printout_Python --bugs-email cod-bugs@ibt.lt > doc/man/cif_printout_Python.1 src/components/codcif/cifparse --help | tools/help2man --stdin --name cifparse --bugs-email cod-bugs@ibt.lt > doc/man/cifparse.1 src/components/codcif/cifvalues --help | tools/help2man --stdin --name cifvalues --bugs-email cod-bugs@ibt.lt > doc/man/cifvalues.1 src/components/codcif/cif_list_tags --help | tools/help2man --stdin --name cif_list_tags --bugs-email cod-bugs@ibt.lt > doc/man/cif_list_tags.1 make[2]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_auto_build -O--buildsystem=pybuild -- --dir src/components/pycodcif I: pybuild base:217: /usr/bin/python setup.py build running build running build_py running build_ext building 'pycodcif._pycodcif' extension swigging pycodcif.i to pycodcif_wrap.c swig -python -o pycodcif_wrap.c pycodcif.i creating build/temp.linux-i386-2.7 creating build/temp.linux-i386-2.7/src creating build/temp.linux-i386-2.7/src/externals creating build/temp.linux-i386-2.7/src/externals/cexceptions creating build/temp.linux-i386-2.7/src/components creating build/temp.linux-i386-2.7/src/components/codcif i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-i386-2.7/src/externals/cexceptions/cxprintf.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-i386-2.7/src/externals/cexceptions/stringx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-i386-2.7/src/externals/cexceptions/allocx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-i386-2.7/src/externals/cexceptions/stdiox.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-i386-2.7/src/externals/cexceptions/cexceptions.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-i386-2.7/src/components/codcif/cif_options.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-i386-2.7/src/components/codcif/common.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-i386-2.7/src/components/codcif/ciftable.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-i386-2.7/src/components/codcif/cif2_lexer.o src/components/codcif/cif2_lexer.c: In function 'pushchar': src/components/codcif/cif2_lexer.c:599:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-i386-2.7/src/components/codcif/cifvalue.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-i386-2.7/src/components/codcif/cifmessage.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-i386-2.7/src/components/codcif/cif_grammar_flex.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-i386-2.7/src/components/codcif/cif_lexer.o src/components/codcif/cif_lexer.c: In function 'pushchar': src/components/codcif/cif_lexer.c:506:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-i386-2.7/src/components/codcif/cif.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-i386-2.7/src/components/codcif/datablock.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-i386-2.7/src/components/codcif/cif_compiler.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-i386-2.7/src/components/codcif/ciflist.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-i386-2.7/src/components/codcif/cif_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-i386-2.7/src/components/codcif/cif2_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-i386-2.7/pycodcif_wrap.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-i386-2.7/pycodcif.o creating /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif i686-linux-gnu-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-EBAgX8/python2.7-2.7.16=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-i386-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-i386-2.7/src/externals/cexceptions/stringx.o build/temp.linux-i386-2.7/src/externals/cexceptions/allocx.o build/temp.linux-i386-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-i386-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-i386-2.7/src/components/codcif/cif_options.o build/temp.linux-i386-2.7/src/components/codcif/common.o build/temp.linux-i386-2.7/src/components/codcif/ciftable.o build/temp.linux-i386-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-i386-2.7/src/components/codcif/cifvalue.o build/temp.linux-i386-2.7/src/components/codcif/cifmessage.o build/temp.linux-i386-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-i386-2.7/src/components/codcif/cif_lexer.o build/temp.linux-i386-2.7/src/components/codcif/cif.o build/temp.linux-i386-2.7/src/components/codcif/datablock.o build/temp.linux-i386-2.7/src/components/codcif/cif_compiler.o build/temp.linux-i386-2.7/src/components/codcif/ciflist.o build/temp.linux-i386-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-i386-2.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-i386-2.7/pycodcif_wrap.o build/temp.linux-i386-2.7/pycodcif.o -o /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/_pycodcif.so copying ./pycodcif.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif copying ./__init__.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif I: pybuild base:217: /usr/bin/python3 setup.py build running build running build_py running build_ext building 'pycodcif._pycodcif' extension swigging pycodcif.i to pycodcif_wrap.c swig -python -o pycodcif_wrap.c pycodcif.i creating build/temp.linux-i386-3.7 creating build/temp.linux-i386-3.7/src creating build/temp.linux-i386-3.7/src/externals creating build/temp.linux-i386-3.7/src/externals/cexceptions creating build/temp.linux-i386-3.7/src/components creating build/temp.linux-i386-3.7/src/components/codcif i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-i386-3.7/src/externals/cexceptions/cxprintf.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/stringx.c -o build/temp.linux-i386-3.7/src/externals/cexceptions/stringx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/allocx.c -o build/temp.linux-i386-3.7/src/externals/cexceptions/allocx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/stdiox.c -o build/temp.linux-i386-3.7/src/externals/cexceptions/stdiox.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-i386-3.7/src/externals/cexceptions/cexceptions.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_options.c -o build/temp.linux-i386-3.7/src/components/codcif/cif_options.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/common.c -o build/temp.linux-i386-3.7/src/components/codcif/common.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/ciftable.c -o build/temp.linux-i386-3.7/src/components/codcif/ciftable.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif2_lexer.c -o build/temp.linux-i386-3.7/src/components/codcif/cif2_lexer.o src/components/codcif/cif2_lexer.c: In function 'pushchar': src/components/codcif/cif2_lexer.c:599:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cifvalue.c -o build/temp.linux-i386-3.7/src/components/codcif/cifvalue.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cifmessage.c -o build/temp.linux-i386-3.7/src/components/codcif/cifmessage.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-i386-3.7/src/components/codcif/cif_grammar_flex.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_lexer.c -o build/temp.linux-i386-3.7/src/components/codcif/cif_lexer.o src/components/codcif/cif_lexer.c: In function 'pushchar': src/components/codcif/cif_lexer.c:506:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif.c -o build/temp.linux-i386-3.7/src/components/codcif/cif.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/datablock.c -o build/temp.linux-i386-3.7/src/components/codcif/datablock.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_compiler.c -o build/temp.linux-i386-3.7/src/components/codcif/cif_compiler.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/ciflist.c -o build/temp.linux-i386-3.7/src/components/codcif/ciflist.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-i386-3.7/src/components/codcif/cif_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-i386-3.7/src/components/codcif/cif2_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c pycodcif_wrap.c -o build/temp.linux-i386-3.7/pycodcif_wrap.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python3.7m -c pycodcif.c -o build/temp.linux-i386-3.7/pycodcif.o creating /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif i686-linux-gnu-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-i386-3.7/src/externals/cexceptions/cxprintf.o build/temp.linux-i386-3.7/src/externals/cexceptions/stringx.o build/temp.linux-i386-3.7/src/externals/cexceptions/allocx.o build/temp.linux-i386-3.7/src/externals/cexceptions/stdiox.o build/temp.linux-i386-3.7/src/externals/cexceptions/cexceptions.o build/temp.linux-i386-3.7/src/components/codcif/cif_options.o build/temp.linux-i386-3.7/src/components/codcif/common.o build/temp.linux-i386-3.7/src/components/codcif/ciftable.o build/temp.linux-i386-3.7/src/components/codcif/cif2_lexer.o build/temp.linux-i386-3.7/src/components/codcif/cifvalue.o build/temp.linux-i386-3.7/src/components/codcif/cifmessage.o build/temp.linux-i386-3.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-i386-3.7/src/components/codcif/cif_lexer.o build/temp.linux-i386-3.7/src/components/codcif/cif.o build/temp.linux-i386-3.7/src/components/codcif/datablock.o build/temp.linux-i386-3.7/src/components/codcif/cif_compiler.o build/temp.linux-i386-3.7/src/components/codcif/ciflist.o build/temp.linux-i386-3.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-i386-3.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-i386-3.7/pycodcif_wrap.o build/temp.linux-i386-3.7/pycodcif.o -o /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/_pycodcif.cpython-37m-i386-linux-gnu.so copying ./pycodcif.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif copying ./__init__.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_auto_test -O--no-parallel create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python2,python3 --no-parallel dh_testroot -O--no-parallel dh_prep -O--no-parallel debian/rules override_dh_auto_install make[1]: Entering directory '/build/cod-tools-2.3+dfsg' dh_auto_install -- PREFIX=/build/cod-tools-2.3+dfsg/debian/tmp/usr make -j1 install DESTDIR=/build/cod-tools-2.3\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" PREFIX=/build/cod-tools-2.3\+dfsg/debian/tmp/usr make[2]: Entering directory '/build/cod-tools-2.3+dfsg' make -C src make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' cc -shared -Xlinker -soname=libcexceptions.so.0 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib -o lib/libcexceptions.so.0.01 obj/cxprintf.o obj/stringx.o obj/allocx.o obj/stdiox.o obj/cexceptions.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_a.c -o obj/subsystem_a.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -c tests/subsystem_b.c -o obj/subsystem_b.o cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/texceptions.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/texceptions -lm -lcexceptions cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/fopenx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/fopenx -lm -lcexceptions cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tfinaly.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tfinaly -lm -lcexceptions cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tsubsystems.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tsubsystems -lm -lcexceptions cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tstrdupx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tstrdupx -lm -lcexceptions cc -Wdate-time -D_FORTIFY_SOURCE=2 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I./tests -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib tests/programs/tcreallocx.c obj/subsystem_a.o obj/subsystem_b.o lib/libcexceptions.a -o bin/tcreallocx -lm -lcexceptions make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' cc -shared -Xlinker -soname=libgetoptions.so.0 -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -g -Wall -I. -I../cexceptions -fPIC -Wl,-z,relro -Wl,-z,now -L../cexceptions/lib -o lib/libgetoptions.so.0.01 obj/getoptions.o make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/components' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/codcif' make[5]: Nothing to be done for 'all'. make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/codcif' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' make[5]: Nothing to be done for 'all'. make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[6]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' make[7]: Nothing to be done for 'all'. make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' make[9]: Nothing to be done for 'all'. make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' make[9]: Nothing to be done for 'all'. make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser' make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' make[9]: Nothing to be done for 'all'. make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' make[9]: Nothing to be done for 'all'. make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser' make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF' make[6]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib' make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src' make install -C src make[3]: Entering directory '/build/cod-tools-2.3+dfsg/src' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/include mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib cp *.h /build/cod-tools-2.3+dfsg/debian/tmp/usr/include cp lib/libcexceptions.a lib/libcexceptions.so.0.01 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib ln -fs libcexceptions.so.0.01 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcexceptions.so.0 ln -fs libcexceptions.so.0 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcexceptions.so make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/cexceptions' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/include mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib cp *.h /build/cod-tools-2.3+dfsg/debian/tmp/usr/include cp lib/libgetoptions.a lib/libgetoptions.so.0.01 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib ln -fs libgetoptions.so.0.01 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libgetoptions.so.0 ln -fs libgetoptions.so.0 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libgetoptions.so make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals/getoptions' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/externals' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/components' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/codcif' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/include mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin cp *.h /build/cod-tools-2.3+dfsg/debian/tmp/usr/include cp lib/libcodcif.a lib/libcodcif.so.2.3 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib cp cifparse cifvalues cif_list_tags /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin ln -fs libcodcif.so.2.3 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcodcif.so.2 ln -fs libcodcif.so.2 /build/cod-tools-2.3+dfsg/debian/tmp/usr/lib/libcodcif.so make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/codcif' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' python setup.py install --root /build/cod-tools-2.3+dfsg/debian/tmp/usr running install running build running build_py running build_ext building 'pycodcif._pycodcif' extension swigging pycodcif.i to pycodcif_wrap.c swig -python -o pycodcif_wrap.c pycodcif.i i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cxprintf.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/cxprintf.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stringx.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/stringx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/allocx.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/allocx.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/stdiox.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/stdiox.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/externals/cexceptions/cexceptions.c -o build/temp.linux-i686-2.7/src/externals/cexceptions/cexceptions.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_options.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_options.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/common.c -o build/temp.linux-i686-2.7/src/components/codcif/common.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciftable.c -o build/temp.linux-i686-2.7/src/components/codcif/ciftable.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_lexer.c -o build/temp.linux-i686-2.7/src/components/codcif/cif2_lexer.o src/components/codcif/cif2_lexer.c: In function 'pushchar': src/components/codcif/cif2_lexer.c:599:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifvalue.c -o build/temp.linux-i686-2.7/src/components/codcif/cifvalue.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cifmessage.c -o build/temp.linux-i686-2.7/src/components/codcif/cifmessage.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar_flex.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar_flex.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_lexer.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_lexer.o src/components/codcif/cif_lexer.c: In function 'pushchar': src/components/codcif/cif_lexer.c:506:21: warning: format '%lu' expects argument of type 'long unsigned int', but argument 2 has type 'size_t' {aka 'unsigned int'} [-Wformat=] printf( ">>> reallocating lex token buffer to %lu\n", *length ); ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~ i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif.c -o build/temp.linux-i686-2.7/src/components/codcif/cif.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/datablock.c -o build/temp.linux-i686-2.7/src/components/codcif/datablock.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_compiler.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_compiler.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/ciflist.c -o build/temp.linux-i686-2.7/src/components/codcif/ciflist.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif_grammar.tab.c -o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c src/components/codcif/cif2_grammar.tab.c -o build/temp.linux-i686-2.7/src/components/codcif/cif2_grammar.tab.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif_wrap.c -o build/temp.linux-i686-2.7/pycodcif_wrap.o i686-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -fno-strict-aliasing -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -D_YACC_ -DYYDEBUG=1 -Isrc/externals/cexceptions -Isrc/components/codcif -I/usr/include/python2.7 -c pycodcif.c -o build/temp.linux-i686-2.7/pycodcif.o creating build/lib.linux-i686-2.7 creating build/lib.linux-i686-2.7/pycodcif i686-linux-gnu-gcc -pthread -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -fno-strict-aliasing -DNDEBUG -g -fwrapv -O2 -Wall -Wstrict-prototypes -Wdate-time -D_FORTIFY_SOURCE=2 -g -fdebug-prefix-map=/build/python2.7-EBAgX8/python2.7-2.7.16=. -fstack-protector-strong -Wformat -Werror=format-security -Wl,-z,relro -Wl,-z,now -g -O2 -ffile-prefix-map=/build/cod-tools-2.3+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 build/temp.linux-i686-2.7/src/externals/cexceptions/cxprintf.o build/temp.linux-i686-2.7/src/externals/cexceptions/stringx.o build/temp.linux-i686-2.7/src/externals/cexceptions/allocx.o build/temp.linux-i686-2.7/src/externals/cexceptions/stdiox.o build/temp.linux-i686-2.7/src/externals/cexceptions/cexceptions.o build/temp.linux-i686-2.7/src/components/codcif/cif_options.o build/temp.linux-i686-2.7/src/components/codcif/common.o build/temp.linux-i686-2.7/src/components/codcif/ciftable.o build/temp.linux-i686-2.7/src/components/codcif/cif2_lexer.o build/temp.linux-i686-2.7/src/components/codcif/cifvalue.o build/temp.linux-i686-2.7/src/components/codcif/cifmessage.o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar_flex.o build/temp.linux-i686-2.7/src/components/codcif/cif_lexer.o build/temp.linux-i686-2.7/src/components/codcif/cif.o build/temp.linux-i686-2.7/src/components/codcif/datablock.o build/temp.linux-i686-2.7/src/components/codcif/cif_compiler.o build/temp.linux-i686-2.7/src/components/codcif/ciflist.o build/temp.linux-i686-2.7/src/components/codcif/cif_grammar.tab.o build/temp.linux-i686-2.7/src/components/codcif/cif2_grammar.tab.o build/temp.linux-i686-2.7/pycodcif_wrap.o build/temp.linux-i686-2.7/pycodcif.o -o build/lib.linux-i686-2.7/pycodcif/_pycodcif.so copying ./pycodcif.py -> build/lib.linux-i686-2.7/pycodcif copying ./__init__.py -> build/lib.linux-i686-2.7/pycodcif running install_lib creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7 creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages creating /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif copying build/lib.linux-i686-2.7/pycodcif/pycodcif.py -> /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif copying build/lib.linux-i686-2.7/pycodcif/__init__.py -> /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif copying build/lib.linux-i686-2.7/pycodcif/_pycodcif.so -> /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif byte-compiling /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif/pycodcif.py to pycodcif.pyc byte-compiling /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc running install_egg_info running egg_info creating pycodcif.egg-info writing pycodcif.egg-info/PKG-INFO writing top-level names to pycodcif.egg-info/top_level.txt writing dependency_links to pycodcif.egg-info/dependency_links.txt writing manifest file 'pycodcif.egg-info/SOURCES.txt' reading manifest file 'pycodcif.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' writing manifest file 'pycodcif.egg-info/SOURCES.txt' Copying pycodcif.egg-info to /build/cod-tools-2.3+dfsg/debian/tmp/usr/usr/local/lib/python2.7/dist-packages/pycodcif-2.3.egg-info running install_scripts make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components/pycodcif' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/components' make[4]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib' make[5]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[6]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/COD mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/auto/COD/SPGLib cp lib/COD/SPGLib.pm /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/COD cp lib/auto/COD/SPGLib/SPGLib.so /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/auto/COD/SPGLib make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/SPGLib' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser cp lib/COD/Formulae/Parser/AdHoc.pm /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/AdHoc' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser cp lib/COD/Formulae/Parser/IUCr.pm /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/Formulae/Parser make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser/IUCr' make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae/Parser' make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/Formulae' make[7]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF' make[8]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser cp lib/COD/CIF/Parser/Yapp.pm /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/perl5/COD/CIF/Parser make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Yapp' make[9]: Entering directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/COD/CIF/Parser mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/auto/COD/CIF/Parser/Bison cp lib/COD/CIF/Parser/Bison.pm /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/COD/CIF/Parser cp lib/auto/COD/CIF/Parser/Bison/Bison.so /build/cod-tools-2.3+dfsg/debian/tmp/usr//lib/i386-linux-gnu/perl5/5.28/auto/COD/CIF/Parser/Bison make[9]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser/Bison' make[8]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF/Parser' make[7]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD/CIF' make[6]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5/COD' make[5]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib/perl5' make[4]: Leaving directory '/build/cod-tools-2.3+dfsg/src/lib' make[3]: Leaving directory '/build/cod-tools-2.3+dfsg/src' test -d /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin || mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin install scripts/cif-to-utf8 scripts/cif2cod scripts/cif2csv scripts/cif2json scripts/cif2rdf scripts/cif2ref scripts/cif2xyz scripts/cif_CODify scripts/cif_Fcalc scripts/cif_adjust_journal_name_volume scripts/cif_bounding_box scripts/cif_cell_contents scripts/cif_classify scripts/cif_cod_check scripts/cif_cod_deposit scripts/cif_cod_numbers scripts/cif_correct_tags scripts/cif_create_AMCSD_pressure_temp_tags scripts/cif_dictionary_tags scripts/cif_diff scripts/cif_distances scripts/cif_estimate_Z scripts/cif_eval_numbers scripts/cif_fillcell scripts/cif_filter scripts/cif_find_duplicates scripts/cif_find_symmetry scripts/cif_fix_values scripts/cif_hkl_COD_number scripts/cif_hkl_check scripts/cif_mark_disorder scripts/cif_merge scripts/cif_molecule scripts/cif_mpod_v1_to_v2 scripts/cif_mpod_v1_to_v3 scripts/cif_mpod_v2_to_v1 scripts/cif_mpod_v3_to_v1 scripts/cif_overlay scripts/cif_p1 scripts/cif_parse scripts/cif_parse_old_star scripts/cif_printout scripts/cif_reduce_Niggli scripts/cif_reduce_cell scripts/cif_reformat_AMCSD_author_names scripts/cif_reformat_pubmed_author_names scripts/cif_reformat_uppercase_author_names scripts/cif_select scripts/cif_set_value scripts/cif_sort_atoms scripts/cif_split scripts/cif_split_primitive scripts/cif_symop_apply scripts/cif_tags_in_list scripts/cif_tcod_tree scripts/cif_validate scripts/cif_values scripts/cod-tools-version scripts/cod2rdf scripts/cod_fetch scripts/cod_manage_related scripts/cod_predeposition_check scripts/codcif2sdf scripts/dic2markdown scripts/fetch_cif_dict scripts/find_numbers scripts/formula_sum scripts/json2cif scripts/molcif2sdf scripts/msg_parse scripts/oqmd2cif scripts/sdf_add_cod_data scripts/ssg3d scripts/ssg_symop_canonical scripts/ssg_symop_check scripts/ssg_symop_matrices scripts/ssg_symop_string scripts/symop_build_spacegroup scripts/utf8-to-cif /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin for i in perl5/COD/AtomProperties.pm perl5/COD/Escape.pm perl5/COD/Spacegroups/Symop/Parse.pm perl5/COD/Spacegroups/Symop/SSGParse.pm perl5/COD/Spacegroups/Symop/Algebra.pm perl5/COD/Spacegroups/Lookup/COD.pm perl5/COD/Spacegroups/Lookup/CCP4.pm perl5/COD/Spacegroups/Cosets.pm perl5/COD/Spacegroups/Names.pm perl5/COD/Spacegroups/Builder.pm perl5/COD/Spacegroups/Lookup.pm perl5/COD/Cell.pm perl5/COD/AtomNeighbours.pm perl5/COD/ErrorHandler.pm perl5/COD/ToolsVersion.pm perl5/COD/CIF/DDL/Ranges.pm perl5/COD/CIF/DDL/Validate.pm perl5/COD/CIF/Tags/CanonicalNames.pm perl5/COD/CIF/Tags/AMCSD.pm perl5/COD/CIF/Tags/COD.pm perl5/COD/CIF/Tags/Excluded.pm perl5/COD/CIF/Tags/Merge.pm perl5/COD/CIF/Tags/Manage.pm perl5/COD/CIF/Tags/DFT.pm perl5/COD/CIF/Tags/Print.pm perl5/COD/CIF/Tags/DictTags.pm perl5/COD/CIF/Tags/TCOD.pm perl5/COD/CIF/Parser.pm perl5/COD/CIF/Data.pm perl5/COD/CIF/Unicode2CIF.pm perl5/COD/CIF/JSON.pm perl5/COD/CIF/Data/ExcludeFromStatistics.pm perl5/COD/CIF/Data/AtomList.pm perl5/COD/CIF/Data/CIF2COD.pm perl5/COD/CIF/Data/Diff.pm perl5/COD/CIF/Data/CODNumbers.pm perl5/COD/CIF/Data/Check.pm perl5/COD/CIF/Data/EstimateZ.pm perl5/COD/CIF/Data/CODPredepositionCheck.pm perl5/COD/CIF/Data/CellContents.pm perl5/COD/CIF/Data/SymmetryGenerator.pm perl5/COD/CIF/Data/CODFlags.pm perl5/COD/CIF/Data/Classifier.pm perl5/COD/Formulae/Print.pm perl5/COD/AuthorNames.pm perl5/COD/Precision.pm perl5/COD/CromerMann.pm perl5/COD/ShowStruct.pm perl5/COD/Algebra.pm perl5/COD/DateTime.pm perl5/COD/Fractional.pm perl5/COD/SUsage.pm perl5/COD/Cell/Delaunay/Delaunay.pm perl5/COD/Cell/Niggli/KG76.pm perl5/COD/Cell/Conventional/deWG91.pm perl5/COD/Overlays/Kearsley.pm perl5/COD/Overlays/Theobald.pm perl5/COD/Overlays/Kabsch.pm perl5/COD/Algebra/JacobiEigenSimple.pm perl5/COD/Algebra/Vector.pm perl5/COD/Algebra/JacobiEigen.pm perl5/COD/UserMessage.pm perl5/COD/MorganFingerprints.pm perl5/COD/Serialise.pm perl5/COD/AtomBricks.pm perl5/COD/SOptions.pm perl5/COD/RDF.pm; \ do \ test -d /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/$(dirname $i) \ || mkdir -p /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/$(dirname $i); \ install --mode 644 src/lib/$i /build/cod-tools-2.3+dfsg/debian/tmp/usr/share/$i; \ done make[2]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_auto_install -O--buildsystem=pybuild -- --dir src/components/pycodcif I: pybuild base:217: /usr/bin/python setup.py install --root /build/cod-tools-2.3+dfsg/debian/python-pycodcif running install running build running build_py running build_ext copying ./pycodcif.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif running install_lib creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7 creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages creating /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/pycodcif.py -> /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/__init__.py -> /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython2_2.7_pycodcif/build/pycodcif/_pycodcif.so -> /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif byte-compiling /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif/pycodcif.py to pycodcif.pyc byte-compiling /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif/__init__.py to __init__.pyc running install_egg_info running egg_info writing pycodcif.egg-info/PKG-INFO writing top-level names to pycodcif.egg-info/top_level.txt writing dependency_links to pycodcif.egg-info/dependency_links.txt reading manifest file 'pycodcif.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' writing manifest file 'pycodcif.egg-info/SOURCES.txt' Copying pycodcif.egg-info to /build/cod-tools-2.3+dfsg/debian/python-pycodcif/usr/lib/python2.7/dist-packages/pycodcif-2.3.egg-info Skipping SOURCES.txt running install_scripts I: pybuild base:217: /usr/bin/python3 setup.py install --root /build/cod-tools-2.3+dfsg/debian/python3-pycodcif running install running build running build_py running build_ext copying ./pycodcif.py -> /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif running install_lib creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7 creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages creating /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/_pycodcif.cpython-37m-i386-linux-gnu.so -> /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/pycodcif.py -> /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif copying /build/cod-tools-2.3+dfsg/.pybuild/cpython3_3.7_pycodcif/build/pycodcif/__init__.py -> /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif byte-compiling /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif/pycodcif.py to pycodcif.cpython-37.pyc byte-compiling /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif/__init__.py to __init__.cpython-37.pyc running install_egg_info running egg_info writing pycodcif.egg-info/PKG-INFO writing dependency_links to pycodcif.egg-info/dependency_links.txt writing top-level names to pycodcif.egg-info/top_level.txt reading manifest file 'pycodcif.egg-info/SOURCES.txt' reading manifest template 'MANIFEST.in' writing manifest file 'pycodcif.egg-info/SOURCES.txt' Copying pycodcif.egg-info to /build/cod-tools-2.3+dfsg/debian/python3-pycodcif/usr/lib/python3.7/dist-packages/pycodcif-2.3.egg-info Skipping SOURCES.txt running install_scripts make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' debian/rules override_dh_install-arch make[1]: Entering directory '/build/cod-tools-2.3+dfsg' for TPL in debian/templates/*; \ do sed -e "s@##DEB_HOST_MULTIARCH##@i386-linux-gnu@g" \ ${TPL} > debian/$(basename ${TPL}); \ done rm /build/cod-tools-2.3+dfsg/debian/tmp/usr/bin/cif_parse_old_star doc/man/cif_parse_old_star.1 dh_install rm -rf /build/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/CIF/Parser rm /build/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/Precision.pm rm /build/cod-tools-2.3+dfsg/debian/cod-tools/usr/share/perl5/COD/UserMessage.pm make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_install -O--no-parallel -Nlibcexceptions0 -Nlibcexceptions-dev -Nlibgetoptions0 -Nlibgetoptions-dev -Nlibcodcif2 -Nlibcodcif-dev -Nlibcod-cif-parser-bison-perl -Npython-pycodcif -Npython3-pycodcif -Ncod-tools dh_installdocs -O--no-parallel debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/cod-tools-2.3+dfsg' dh_installchangelogs CHANGELOG make[1]: Leaving directory '/build/cod-tools-2.3+dfsg' dh_installman -O--no-parallel dh_python2 -O--no-parallel I: dh_python2 fs:343: renaming _pycodcif.so to _pycodcif.i386-linux-gnu.so dh_python3 -O--no-parallel dh_installinit -O--no-parallel dh_perl -O--no-parallel dh_link -O--no-parallel dh_strip_nondeterminism -O--no-parallel dh_compress -O--no-parallel dh_fixperms -O--no-parallel dh_missing -O--no-parallel dh_strip -O--no-parallel dh_makeshlibs -O--no-parallel dh_shlibdeps -O--no-parallel dpkg-shlibdeps: warning: symbol cexception_raise_at used by debian/libgetoptions0/usr/lib/i386-linux-gnu/libgetoptions.so.0.01 found in none of the libraries dpkg-shlibdeps: warning: symbol cxprintf used by debian/libgetoptions0/usr/lib/i386-linux-gnu/libgetoptions.so.0.01 found in none of the libraries dpkg-shlibdeps: warning: symbol reallocx used by debian/libgetoptions0/usr/lib/i386-linux-gnu/libgetoptions.so.0.01 found in none of the libraries dpkg-shlibdeps: warning: symbol cexception_reraise used by debian/libgetoptions0/usr/lib/i386-linux-gnu/libgetoptions.so.0.01 found in none of the libraries dpkg-shlibdeps: warning: symbol callocx used by debian/libgetoptions0/usr/lib/i386-linux-gnu/libgetoptions.so.0.01 found in none of the libraries dpkg-shlibdeps: warning: symbol cexception_message used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol fclosex used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol cexception_syserror used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol cexception_reraise used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol fopenx used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol progname used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol strdupx used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol callocx used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol freex used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: symbol reallocx used by debian/libcodcif2/usr/lib/i386-linux-gnu/libcodcif.so.2.3 found in none of the libraries dpkg-shlibdeps: warning: 4 other similar warnings have been skipped (use -v to see them all) dh_installdeb -O--no-parallel dh_gencontrol -O--no-parallel dh_md5sums -O--no-parallel dh_builddeb -O--no-parallel dpkg-deb: building package 'libcod-cif-parser-bison-perl-dbgsym' in '../libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcod-usermessage-perl' in '../libcod-usermessage-perl_2.3+dfsg-3_all.deb'. dpkg-deb: building package 'cod-tools' in '../cod-tools_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libgetoptions0-dbgsym' in '../libgetoptions0-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcexceptions-dev' in '../libcexceptions-dev_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcodcif2' in '../libcodcif2_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcodcif-dev' in '../libcodcif-dev_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcexceptions0' in '../libcexceptions0_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'python-pycodcif' in '../python-pycodcif_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'python3-pycodcif' in '../python3-pycodcif_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libgetoptions-dev' in '../libgetoptions-dev_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcod-cif-parser-bison-perl' in '../libcod-cif-parser-bison-perl_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcod-cif-parser-yapp-perl' in '../libcod-cif-parser-yapp-perl_2.3+dfsg-3_all.deb'. dpkg-deb: building package 'libcexceptions0-dbgsym' in '../libcexceptions0-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcodcif2-dbgsym' in '../libcodcif2-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libgetoptions0' in '../libgetoptions0_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'python3-pycodcif-dbgsym' in '../python3-pycodcif-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'python-pycodcif-dbgsym' in '../python-pycodcif-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-deb: building package 'libcod-precision-perl' in '../libcod-precision-perl_2.3+dfsg-3_all.deb'. dpkg-deb: building package 'cod-tools-dbgsym' in '../cod-tools-dbgsym_2.3+dfsg-3_i386.deb'. dpkg-genbuildinfo --build=binary dpkg-genchanges --build=binary >../cod-tools_2.3+dfsg-3_i386.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/23084 and its subdirectories I: Current time: Mon Aug 10 05:32:20 -12 2020 I: pbuilder-time-stamp: 1597080740 Mon Aug 10 17:32:21 UTC 2020 I: 1st build successful. Starting 2nd build on remote node profitbricks-build6-i386.debian.net. Mon Aug 10 17:32:21 UTC 2020 I: Preparing to do remote build '2' on profitbricks-build6-i386.debian.net. Mon Aug 10 17:52:18 UTC 2020 I: Deleting $TMPDIR on profitbricks-build6-i386.debian.net. Mon Aug 10 17:52:18 UTC 2020 I: cod-tools_2.3+dfsg-3_i386.changes: Format: 1.8 Date: Fri, 01 Feb 2019 10:04:07 -0500 Source: cod-tools Binary: cod-tools cod-tools-dbgsym libcexceptions-dev libcexceptions0 libcexceptions0-dbgsym libcod-cif-parser-bison-perl libcod-cif-parser-bison-perl-dbgsym libcod-cif-parser-yapp-perl libcod-precision-perl libcod-usermessage-perl libcodcif-dev libcodcif2 libcodcif2-dbgsym libgetoptions-dev libgetoptions0 libgetoptions0-dbgsym python-pycodcif python-pycodcif-dbgsym python3-pycodcif python3-pycodcif-dbgsym Architecture: i386 all Version: 2.3+dfsg-3 Distribution: unstable Urgency: medium Maintainer: Debian Science Maintainers Changed-By: Andrius Merkys Description: cod-tools - tools for manipulating CIF format files libcexceptions-dev - C exception handling library (development files) libcexceptions0 - C exception handling library libcod-cif-parser-bison-perl - error-correcting CIF parser - Perl bindings libcod-cif-parser-yapp-perl - error-correcting CIF parser - pure Perl implementation libcod-precision-perl - COD precision handling module for Perl language libcod-usermessage-perl - COD message formatting module for Perl language libcodcif-dev - error-correcting CIF parser - headers and static libraries libcodcif2 - error-correcting CIF parser - shared library libgetoptions-dev - Command line argument processing library for C (development files libgetoptions0 - Command line argument processing library for C python-pycodcif - error-correcting CIF parser - Python bindings python3-pycodcif - error-correcting CIF parser - Python3 bindings Changes: cod-tools (2.3+dfsg-3) unstable; urgency=medium . * Passing CFLAGS to Swig object compilation. * Adding ${CPPFLAGS} to all C compiler calls to make function hardening possible. Checksums-Sha1: f2ef4e710a6aca21ffb842f31f8ff53761f494c0 356544 cod-tools-dbgsym_2.3+dfsg-3_i386.deb 4aaee15216223453659b1a0baf46030aef347573 15408 cod-tools_2.3+dfsg-3_i386.buildinfo c8696ab568c05ff7e2d4bbe63f34fd70b2e36b17 421052 cod-tools_2.3+dfsg-3_i386.deb 223d79903290a2be9a9031642f03cf8a7213d62a 22700 libcexceptions-dev_2.3+dfsg-3_i386.deb f8467c8e9c8874c674f90bb4ec1e845eb5e3e0d7 8636 libcexceptions0-dbgsym_2.3+dfsg-3_i386.deb 56d13aae40f46563cbf03b5c2354388f627f2c00 22320 libcexceptions0_2.3+dfsg-3_i386.deb 7599c354c4b9dda8c9bc536e49648f18ada71c0f 152708 libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_i386.deb 9e79a2d638167e29b5e7eff5758b28df6f8ccd05 71836 libcod-cif-parser-bison-perl_2.3+dfsg-3_i386.deb 96765f3f0c38bd893b901b6f26ed2df192eb1ba3 25956 libcod-cif-parser-yapp-perl_2.3+dfsg-3_all.deb cbb0a984a347c7a86b234a565eb77f5e0b8fe099 19012 libcod-precision-perl_2.3+dfsg-3_all.deb 6243c66d2ad0deb5b3ad899d899352bd63be74fe 20524 libcod-usermessage-perl_2.3+dfsg-3_all.deb b958bf41694cacc211bab8c729f67d5f9449e242 72148 libcodcif-dev_2.3+dfsg-3_i386.deb 402743078fe12372a270b4dfe4d5f1149e9f15bc 92836 libcodcif2-dbgsym_2.3+dfsg-3_i386.deb bd345b4423ae2882a9a3883f71f680e8f313b3c5 61316 libcodcif2_2.3+dfsg-3_i386.deb 5870a1204843663354e56a76b90fd7bb84fdf0fc 22344 libgetoptions-dev_2.3+dfsg-3_i386.deb 70bcc6618ff173d670affad774ba4113a1d5be56 9876 libgetoptions0-dbgsym_2.3+dfsg-3_i386.deb 39e291ec19bb676933470f685e1e16df64e8d2ae 22228 libgetoptions0_2.3+dfsg-3_i386.deb a90e8ac79baa6e6c286e614b1afe7fb583f33cbf 131404 python-pycodcif-dbgsym_2.3+dfsg-3_i386.deb 28e758b0e0f0484b9c0ef7754656a64d5726efe0 74388 python-pycodcif_2.3+dfsg-3_i386.deb 0cd7386be3a952ba9856fd2eb31f64da71e4f0a5 133656 python3-pycodcif-dbgsym_2.3+dfsg-3_i386.deb 0df3f376bca398a37dfd27129de5f0e0a895463e 73832 python3-pycodcif_2.3+dfsg-3_i386.deb Checksums-Sha256: fd767bf37adec9dd7c61416696643602bab6a9877235fe2348b271286acfe45d 356544 cod-tools-dbgsym_2.3+dfsg-3_i386.deb 2a41365ce52a3414d2950a4e20f5c4ee8f145aaf568c1908a17ee1cd45b113b0 15408 cod-tools_2.3+dfsg-3_i386.buildinfo 59bfd59cfc48ccdd24cde7e31d74901661f8ae9ef047c788d768a374d03c44fa 421052 cod-tools_2.3+dfsg-3_i386.deb 78739d3b3a158a5d01f08f1ef654f190bcb66413640aa69abccb5043a5134b06 22700 libcexceptions-dev_2.3+dfsg-3_i386.deb 9f301327e1e24f57bde6cb2b05ee70be404b25a811e746a65159e3ecc363bdb1 8636 libcexceptions0-dbgsym_2.3+dfsg-3_i386.deb cf6f81f23ead412b6a8a5215d47d0fabcf2bd733b593721f5d589ca22599250e 22320 libcexceptions0_2.3+dfsg-3_i386.deb 50ae15b7ee068d55e4e0a78ccbe6597d4d609924fefa44758b913d4c6b470196 152708 libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_i386.deb 5871033aeb2d6f422f6ba76cffb383f2c0520014639503c28900492aa51a7c1c 71836 libcod-cif-parser-bison-perl_2.3+dfsg-3_i386.deb 3531a82c6cf57ccc2397ab478c989df78891e4455bf8b1cce7c4a6a229c07f69 25956 libcod-cif-parser-yapp-perl_2.3+dfsg-3_all.deb c9be32138bba267b55e30ba8d3f89436932495eebe8d5d534e40c5a254044e70 19012 libcod-precision-perl_2.3+dfsg-3_all.deb fc5cadc6593eb139f2ba771203667a1a30ff82945f76ae557765d96f49bee40b 20524 libcod-usermessage-perl_2.3+dfsg-3_all.deb 3fdc7063fea62d20a9b05fccd96ed56b54e503ffe49707a40d7d51c8538b08d3 72148 libcodcif-dev_2.3+dfsg-3_i386.deb 42390f859cba060f955f67fb496f7c8b8b33486c02135496e8e4a3ac5bd416fa 92836 libcodcif2-dbgsym_2.3+dfsg-3_i386.deb b00d0398b27527ad5e0aae870ebc006bbf9201dbba17f5dede8e762900f2ccb4 61316 libcodcif2_2.3+dfsg-3_i386.deb 421d7f5d5459252f498dbb8e6f3aced51feb140fd746edcbe55ba3bdc6c893da 22344 libgetoptions-dev_2.3+dfsg-3_i386.deb 792854083417dca4be8b3dc60b7451bdcc4013c3c7e2f67f1d8d4d2e5fb22830 9876 libgetoptions0-dbgsym_2.3+dfsg-3_i386.deb 47a9defa9081db8508ac21b4ad5f92989ae12546c3a68a45fc97da57539c8a6b 22228 libgetoptions0_2.3+dfsg-3_i386.deb 714d33e12c421bc75b8ecbc050b3a81c2c1b548b4fb766c49ae0f487d4f63ddb 131404 python-pycodcif-dbgsym_2.3+dfsg-3_i386.deb 906ad8a7cf9641a9bfd24c2f6aad0383ec022e4c94f518e14e8e288fe40ea8b6 74388 python-pycodcif_2.3+dfsg-3_i386.deb 386af960eae3a15b7f30311bebf3e7da5fe928a194e82ade91ebd8374405dd72 133656 python3-pycodcif-dbgsym_2.3+dfsg-3_i386.deb 2239c192b3dd49aa359f8944af118d375e273e54d1706b5fec3a3419308462ae 73832 python3-pycodcif_2.3+dfsg-3_i386.deb Files: b49604e875be9e564a823319f8227b9a 356544 debug optional cod-tools-dbgsym_2.3+dfsg-3_i386.deb 6bd750bef454620203f5aa90ebf1a970 15408 science optional cod-tools_2.3+dfsg-3_i386.buildinfo a17cd79942efd96560c6bb61cbbc6e55 421052 science optional cod-tools_2.3+dfsg-3_i386.deb ea86664f4211b6747793ecc31af4f3ab 22700 libdevel optional libcexceptions-dev_2.3+dfsg-3_i386.deb 81988a04c6e7646e87dd8bcf1f89ce05 8636 debug optional libcexceptions0-dbgsym_2.3+dfsg-3_i386.deb 27cb15ca427d40b988c0c3e96ed5bb46 22320 libs optional libcexceptions0_2.3+dfsg-3_i386.deb 5f5bd5c99e5b1f378addd575c1a7c5d3 152708 debug optional libcod-cif-parser-bison-perl-dbgsym_2.3+dfsg-3_i386.deb 4a4cbd6f7b49280df66eaf083d4aefe4 71836 perl optional libcod-cif-parser-bison-perl_2.3+dfsg-3_i386.deb 7cbeed62ec70f139440109f1f1c5f8a6 25956 perl optional libcod-cif-parser-yapp-perl_2.3+dfsg-3_all.deb f475e8dfde51eaf5e1dfb036e18c558c 19012 perl optional libcod-precision-perl_2.3+dfsg-3_all.deb 0409975e9b19a83ba69ae7172cae5487 20524 perl optional libcod-usermessage-perl_2.3+dfsg-3_all.deb eba7679e512fb132797584090dc30b5a 72148 libdevel optional libcodcif-dev_2.3+dfsg-3_i386.deb c62992e22f018fda35885c7f7c69af31 92836 debug optional libcodcif2-dbgsym_2.3+dfsg-3_i386.deb 30a80d246f016311258bd70378794415 61316 libs optional libcodcif2_2.3+dfsg-3_i386.deb c35fd038cccd600d88df38ed7fc9a610 22344 libdevel optional libgetoptions-dev_2.3+dfsg-3_i386.deb 146fae301068498437b92678fc518be1 9876 debug optional libgetoptions0-dbgsym_2.3+dfsg-3_i386.deb 265700500625f9bd19e4189391d8b6ca 22228 libs optional libgetoptions0_2.3+dfsg-3_i386.deb d5440e29153d43a16c60c011428981ee 131404 debug optional python-pycodcif-dbgsym_2.3+dfsg-3_i386.deb 8a4ee253a4791017e3828253d8be6120 74388 python optional python-pycodcif_2.3+dfsg-3_i386.deb 7d652b8958bc09f39bcd5e2d66e9f13d 133656 debug optional python3-pycodcif-dbgsym_2.3+dfsg-3_i386.deb f0e79e38ad9be846f5e8f95cfcafaee8 73832 python optional python3-pycodcif_2.3+dfsg-3_i386.deb Mon Aug 10 17:52:19 UTC 2020 I: diffoscope 155 will be used to compare the two builds: # Profiling output for: /usr/bin/diffoscope --html /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/cod-tools_2.3+dfsg-3.diffoscope.html --text /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/cod-tools_2.3+dfsg-3.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/cod-tools_2.3+dfsg-3.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/b1/cod-tools_2.3+dfsg-3_i386.changes /srv/reproducible-results/rbuild-debian/tmp.b4yTmiONLh/b2/cod-tools_2.3+dfsg-3_i386.changes ## close_archive (total time: 0.003s) 0.001s 92 calls diffoscope.comparators.xz.XzContainer 0.001s 68 calls diffoscope.comparators.tar.TarContainer 0.001s 54 calls diffoscope.comparators.deb.DebContainer 0.000s 24 calls diffoscope.comparators.deb.DebTarContainer 0.000s 2 calls diffoscope.comparators.ar.ArContainer ## command (total time: 53.523s) 22.650s 476 calls diff 15.402s 3232 calls readelf 10.955s 638 calls objdump 2.524s 10 calls objcopy 1.409s 92 calls xz 0.346s 35 calls cmp 0.164s 77 calls strings 0.068s 11 calls nm 0.005s 71 calls cmp (internal) ## compare_files (cumulative) (total time: 210.796s) 40.076s 1 call abc.DotChangesFile 39.718s 7 calls abc.DebFile 39.080s 14 calls abc.XzFile 37.188s 7 calls abc.DebDataTarFile 35.623s 7 calls abc.ElfFile 12.700s 35 calls diffoscope.comparators.elf.ElfCodeSection 4.768s 103 calls diffoscope.comparators.elf.ElfSection 0.805s 7 calls abc.TarFile 0.226s 4 calls diffoscope.comparators.elf.ElfStringSection 0.218s 5 calls diffoscope.comparators.elf.MonkeyPatchedElfSection 0.205s 1 call abc.ArFile 0.107s 7 calls abc.Md5sumsFile 0.080s 3 calls abc.TextFile ## container_extract (total time: 1.744s) 1.424s 92 calls diffoscope.comparators.xz.XzContainer 0.163s 554 calls diffoscope.comparators.deb.DebTarContainer 0.083s 106 calls diffoscope.comparators.deb.DebContainer 0.066s 86 calls diffoscope.comparators.tar.TarContainer 0.008s 28 calls diffoscope.comparators.ar.ArContainer ## has_same_content_as (total time: 0.369s) 0.125s 20 calls abc.DebFile 0.083s 14 calls abc.XzFile 0.074s 21 calls abc.ElfFile 0.067s 7 calls abc.DebDataTarFile 0.010s 1 call abc.ArFile 0.003s 16 calls abc.TextFile 0.002s 14 calls abc.Md5sumsFile 0.002s 7 calls abc.TarFile 0.001s 103 calls diffoscope.comparators.elf.ElfSection 0.001s 5 calls diffoscope.comparators.utils.libarchive.LibarchiveSymlink 0.000s 35 calls diffoscope.comparators.elf.ElfCodeSection 0.000s 1 call abc.DotChangesFile 0.000s 5 calls diffoscope.comparators.elf.MonkeyPatchedElfSection 0.000s 4 calls diffoscope.comparators.elf.ElfStringSection ## main (total time: 232.445s) 232.358s 2 calls outputs 0.087s 1 call cleanup ## open_archive (total time: 0.004s) 0.002s 92 calls diffoscope.comparators.xz.XzContainer 0.001s 68 calls diffoscope.comparators.tar.TarContainer 0.001s 54 calls diffoscope.comparators.deb.DebContainer 0.000s 24 calls diffoscope.comparators.deb.DebTarContainer 0.000s 2 calls diffoscope.comparators.ar.ArContainer ## output (total time: 192.050s) 191.651s 1 call html 0.244s 1 call text 0.156s 1 call json ## recognizes (total time: 2.957s) 1.281s 7746 calls diffoscope.comparators.utils.libarchive.LibarchiveMember 1.064s 3752 calls diffoscope.comparators.utils.archive.ArchiveMember 0.336s 1854 calls diffoscope.comparators.elf.ElfSection 0.109s 630 calls diffoscope.comparators.elf.ElfCodeSection 0.091s 1680 calls diffoscope.comparators.debian.DebControlMember 0.052s 10 calls diffoscope.comparators.binary.FilesystemFile 0.012s 72 calls diffoscope.comparators.elf.ElfStringSection 0.010s 90 calls diffoscope.comparators.elf.MonkeyPatchedElfSection 0.002s 98 calls abc.Md5sumsFile 0.000s 20 calls diffoscope.comparators.utils.libarchive.LibarchiveSymlink 0.000s 8 calls abc.DotChangesFile Mon Aug 10 17:56:13 UTC 2020 E: cod-tools failed to build reproducibly in buster on i386. Mon Aug 10 17:56:19 UTC 2020 I: Submitting .buildinfo files to external archives: Mon Aug 10 17:56:19 UTC 2020 I: Submitting 16K b1/cod-tools_2.3+dfsg-3_i386.buildinfo.asc Mon Aug 10 17:56:21 UTC 2020 I: Submitting 16K b2/cod-tools_2.3+dfsg-3_i386.buildinfo.asc Mon Aug 10 17:56:22 UTC 2020 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Mon Aug 10 17:56:22 UTC 2020 I: Done submitting .buildinfo files. Mon Aug 10 17:56:22 UTC 2020 I: Removing signed cod-tools_2.3+dfsg-3_i386.buildinfo.asc files: removed './b1/cod-tools_2.3+dfsg-3_i386.buildinfo.asc' removed './b2/cod-tools_2.3+dfsg-3_i386.buildinfo.asc'