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November 2019
- 1 participants
- 2390 discussions
Hello community,
here is the log from the commit of package neomutt for openSUSE:Factory checked in at 2019-11-30 10:37:47
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/neomutt (Old)
and /work/SRC/openSUSE:Factory/.neomutt.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "neomutt"
Sat Nov 30 10:37:47 2019 rev:8 rq:751556 version:20191111
Changes:
--------
--- /work/SRC/…
[View More]openSUSE:Factory/neomutt/neomutt.changes 2018-07-18 22:58:05.394135109 +0200
+++ /work/SRC/openSUSE:Factory/.neomutt.new.26869/neomutt.changes 2019-11-30 10:39:25.560157454 +0100
@@ -1,0 +2,22 @@
+Thu Nov 28 05:16:45 UTC 2019 - Michael Vetter <mvetter(a)suse.com>
+
+- Update to 20191111:
+ Bug fixes:
+ * browser: fix directory view
+ * fix crash in mutt_extract_token()
+ * force a screen refresh
+ * fix crash sending message from command line
+ * notmuch: use nm_default_uri if no mailbox data
+ * fix forward attachments
+ * fix: vfprintf undefined behaviour in body_handler
+ * Fix relative symlink resolution
+ * fix: trash to non-existent file/dir
+ * fix re-opening of mbox Mailboxes
+ * close logging as late as possible
+ * log unknown mailboxes
+ * fix crash in command line postpone
+ * fix memory leaks
+ * fix icommand parsing
+ * fix new mail interaction with mail_check_recent
+
+-------------------------------------------------------------------
Old:
----
neomutt-20180716.tar.gz
New:
----
20191111.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ neomutt.spec ++++++
--- /var/tmp/diff_new_pack.xKokgE/_old 2019-11-30 10:39:26.496157341 +0100
+++ /var/tmp/diff_new_pack.xKokgE/_new 2019-11-30 10:39:26.496157341 +0100
@@ -1,7 +1,7 @@
#
# spec file for package neomutt
#
-# Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2019 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -12,18 +12,18 @@
# license that conforms to the Open Source Definition (Version 1.9)
# published by the Open Source Initiative.
-# Please submit bugfixes or comments via http://bugs.opensuse.org/
+# Please submit bugfixes or comments via https://bugs.opensuse.org/
#
Name: neomutt
-Version: 20180716
+Version: 20191111
Release: 0
Summary: A command line mail reader (or MUA), a fork of Mutt with added features
License: GPL-2.0-or-later
Group: Productivity/Networking/Email/Clients
-Url: https://neomutt.org
-Source: https://github.com/neomutt/neomutt/archive/%{name}-%{version}.tar.gz
+URL: https://neomutt.org
+Source: https://github.com/neomutt/neomutt/archive/%{version}.tar.gz
BuildRequires: autoconf
BuildRequires: automake
BuildRequires: cyrus-sasl-devel
@@ -68,7 +68,7 @@
%lang_package macro
%prep
-%setup -q -n neomutt-%{name}-%{version}
+%setup -q
%build
export CFLAGS="%{optflags}"
@@ -129,6 +129,7 @@
%dir %doc %{_docdir}/%{name}/logo/
%doc %{_docdir}/%{name}/logo/neomutt*
%dir %doc %{_docdir}/%{name}/samples/
+%doc %{_docdir}/%{name}/samples/*.pl
%doc %{_docdir}/%{name}/samples/*.rc
%doc %{_docdir}/%{name}/samples/colors.*
%doc %{_docdir}/%{name}/samples/sample.*
++++++ neomutt-20180716.tar.gz -> 20191111.tar.gz ++++++
++++ 543492 lines of diff (skipped)
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Hello community,
here is the log from the commit of package votca-xtp for openSUSE:Factory checked in at 2019-11-30 10:37:44
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/votca-xtp (Old)
and /work/SRC/openSUSE:Factory/.votca-xtp.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-xtp"
Sat Nov 30 10:37:44 2019 rev:2 rq:751378 version:1.5.1
Changes:
--------
--- /work/…
[View More]SRC/openSUSE:Factory/votca-xtp/votca-xtp.changes 2019-02-28 21:38:33.465637272 +0100
+++ /work/SRC/openSUSE:Factory/.votca-xtp.new.26869/votca-xtp.changes 2019-11-30 10:39:21.184157980 +0100
@@ -1,0 +2,13 @@
+Wed Nov 27 15:11:27 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Fix python shebang
+
+-------------------------------------------------------------------
+Thu Nov 21 15:11:49 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Upgrade to 1.5.1
+ * remove exit() calls in the library
+ * fix build on CentOs7
+ * Details: https://github.com/votca/xtp/blob/stable/CHANGELOG.md
+
+-------------------------------------------------------------------
Old:
----
votca-xtp-1.5.tar.gz
votca-xtp-manual-1.5.pdf
New:
----
votca-xtp-1.5.1.tar.gz
votca-xtp-manual-1.5.1.pdf
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ votca-xtp.spec ++++++
--- /var/tmp/diff_new_pack.CAthDB/_old 2019-11-30 10:39:23.392157714 +0100
+++ /var/tmp/diff_new_pack.CAthDB/_new 2019-11-30 10:39:23.420157711 +0100
@@ -18,7 +18,7 @@
Name: votca-xtp
-Version: 1.5
+Version: 1.5.1
%define uversion %{version}
%define sover 5
Release: 0
@@ -130,7 +130,7 @@
%install
make -C build install DESTDIR=%{buildroot}
-sed -i -e '1s@env python@python2@' %{buildroot}/%{_bindir}/xtp_*
+sed -i -e '1s@env @@' %{buildroot}/%{_bindir}/xtp_*
%define pkgdocdir %{_docdir}/%{name}
mkdir -p %{buildroot}%{pkgdocdir}
++++++ votca-xtp-1.5.tar.gz -> votca-xtp-1.5.1.tar.gz ++++++
/work/SRC/openSUSE:Factory/votca-xtp/votca-xtp-1.5.tar.gz /work/SRC/openSUSE:Factory/.votca-xtp.new.26869/votca-xtp-1.5.1.tar.gz differ: char 12, line 1
++++++ votca-xtp-manual-1.5.pdf -> votca-xtp-manual-1.5.1.pdf ++++++
(binary differes)
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Hello community,
here is the log from the commit of package gnuastro for openSUSE:Factory checked in at 2019-11-30 10:37:34
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/gnuastro (Old)
and /work/SRC/openSUSE:Factory/.gnuastro.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gnuastro"
Sat Nov 30 10:37:34 2019 rev:3 rq:751192 version:0.11
Changes:
--------
--- /work/SRC/…
[View More]openSUSE:Factory/gnuastro/gnuastro.changes 2019-01-08 12:28:48.848250180 +0100
+++ /work/SRC/openSUSE:Factory/.gnuastro.new.26869/gnuastro.changes 2019-11-30 10:39:12.160159063 +0100
@@ -1,0 +2,36 @@
+Tue Nov 26 17:04:05 UTC 2019 - Andreas Stieger <andreas.stieger(a)gmx.de>
+
+- GNU Astronomy Utilities 0.11 (library 9.0.0):
+ * documentation updates
+ * Updates and extensions to multiple operations
+- drop upstreamed patch
+ 0001-Reference-wcslib-by-correct-name-in-gnuastro.pc-pkgc.patch
+
+-------------------------------------------------------------------
+Sun Nov 10 15:05:21 UTC 2019 - Stefan Brüns <stefan.bruens(a)rwth-aachen.de>
+
+- Fix wrong automatic pkgconfig(wcs) requires, add
+ 0001-Reference-wcslib-by-correct-name-in-gnuastro.pc-pkgc.patch
+- Drop ghostscript BuildRequires, only needed for running tests
+ (not done), the PDF exporter is built unconditionally. At runtime,
+ the exporter uses a "gs" executable in PATH, so add a Recommends.
+- Add bcond for running tests, keep it disabled by default.
+
+-------------------------------------------------------------------
+Sun Nov 3 16:02:38 UTC 2019 - Andreas Stieger <andreas.stieger(a)gmx.de>
+
+- GNU Astronomy Utilities 0.10 (library 8.0.0):
+ * Report/warn when using arrays memory-mapped to non-volatile
+ storage. Users should use --minmapsize to allow use of available
+ RAM, --quietmmap' option to disable the messages
+ * Various additions and extensions to operators and tools
+ * crop now supports 3D datasets (data cubes)
+ * documentation updates and bug fixes
+- includes changes from 0.9:
+ * --checkconfig: print the names and values given to options as
+ they are parsed on the command-line or in various configuration
+ files
+ * Multithreaded operation for many operators
+ * Add bash scripts for common higher-level usage
+
+-------------------------------------------------------------------
Old:
----
gnuastro-0.8.tar.gz
gnuastro-0.8.tar.gz.sig
New:
----
gnuastro-0.11.tar.gz
gnuastro-0.11.tar.gz.sig
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ gnuastro.spec ++++++
--- /var/tmp/diff_new_pack.0JdvUD/_old 2019-11-30 10:39:12.924158971 +0100
+++ /var/tmp/diff_new_pack.0JdvUD/_new 2019-11-30 10:39:12.924158971 +0100
@@ -1,7 +1,7 @@
#
# spec file for package gnuastro
#
-# Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2019 SUSE LINUX GmbH, Nuernberg, Germany.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -16,18 +16,21 @@
#
-%define sover 6
+%bcond_with tests
+
+%define sover 9
Name: gnuastro
-Version: 0.8
+Version: 0.11
Release: 0
Summary: GNU Astronomy Utilities
License: GPL-3.0-or-later
-Group: Productivity/Scientific/Astronomy
URL: https://www.gnu.org/software/gnuastro/
Source: https://ftp.gnu.org/pub/gnu/gnuastro/%{name}-%{version}.tar.gz
Source2: https://ftp.gnu.org/pub/gnu/gnuastro/%{name}-%{version}.tar.gz.sig
Source3: https://savannah.gnu.org/project/memberlist-gpgkeys.php?group=gnuastro&down…
+%if %{with tests}
BuildRequires: ghostscript_any
+%endif
BuildRequires: libtool
BuildRequires: pkgconfig
BuildRequires: pkgconfig(cfitsio)
@@ -40,6 +43,7 @@
Requires(post): %{install_info_prereq}
Requires(preun): %{install_info_prereq}
Recommends: %{name}-doc
+Recommends: ghostscript_any >= 9.10
%description
The GNU Astronomy Utilities (Gnuastro) contains various programs and
@@ -48,7 +52,6 @@
%package -n libgnuastro%{sover}
Summary: Libraries for the GNU Astronomy Utilities
-Group: System/Libraries
%description -n libgnuastro%{sover}
Libraries for the manipulation and analysis of astronomical data,
@@ -56,7 +59,6 @@
%package devel
Summary: Development files for gnuastro
-Group: Development/Libraries/C and C++
Requires: libgnuastro%{sover} = %{version}
%description devel
@@ -65,7 +67,6 @@
%package doc
Summary: Documentation for the GNU Astromomy Utilities
-Group: Documentation/Other
BuildArch: noarch
%description doc
@@ -78,6 +79,7 @@
%configure \
--docdir=%{_docdir}/%{name} \
--disable-static \
+ --disable-rpath \
CPPFLAGS="$(pkg-config cfitsio --cflags)"
make %{?_smp_mflags}
@@ -85,6 +87,11 @@
%make_install
find %{buildroot} -type f -name "*.la" -delete -print
+%check
+%if %{with tests}
+make check
+%endif
+
%post -n libgnuastro%{sover} -p /sbin/ldconfig
%postun -n libgnuastro%{sover} -p /sbin/ldconfig
%post doc
@@ -98,7 +105,7 @@
done
%files
-%license COPYING
+%license COPYING*
%doc ChangeLog README NEWS THANKS AUTHORS
%config %{_sysconfdir}/*.conf
%{_bindir}/*
@@ -109,7 +116,7 @@
%{_libdir}/libgnuastro.so.*
%files devel
-%license COPYING
+%license COPYING*
%{_includedir}/gnuastro
%{_libdir}/libgnuastro.so
%{_libdir}/pkgconfig/*.pc
++++++ gnuastro-0.8.tar.gz -> gnuastro-0.11.tar.gz ++++++
++++ 187087 lines of diff (skipped)
++++++ gnuastro.keyring ++++++
--- /var/tmp/diff_new_pack.0JdvUD/_old 2019-11-30 10:39:14.080158833 +0100
+++ /var/tmp/diff_new_pack.0JdvUD/_new 2019-11-30 10:39:14.080158833 +0100
@@ -1,3 +1,4 @@
+GPG keys of Antonio Diaz Diaz <antonio>
-----BEGIN PGP PUBLIC KEY BLOCK-----
Version: GnuPG v1.2.1 (GNU/Linux)
@@ -23,6 +24,7 @@
=v3WJ
-----END PGP PUBLIC KEY BLOCK-----
+GPG keys of Mohammad Akhlaghi <makhlaghi>
-----BEGIN PGP PUBLIC KEY BLOCK-----
mQINBFwLucgBEADWyBA4L9yy+pbIeHYBsKionBTqMjG9f4dVcmrBuEaBH06vdy65
@@ -76,6 +78,7 @@
=iINk
-----END PGP PUBLIC KEY BLOCK-----
+GPG keys of Mosè Giordano <giordano>
-----BEGIN PGP PUBLIC KEY BLOCK-----
Version: GnuPG v1
@@ -127,6 +130,7 @@
v/QQhWK2PSxxqDJfwtQEVS5d2IieEhNrDfdxLhdNmCJBaDMl06RCU845XOE=
=Eqv/
-----END PGP PUBLIC KEY BLOCK-----
+GPG keys of Boud Roukema <boud>
-----BEGIN PGP PUBLIC KEY BLOCK-----
Version: onak 0.3.2
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0
Hello community,
here is the log from the commit of package gthumb for openSUSE:Factory checked in at 2019-11-30 10:37:31
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/gthumb (Old)
and /work/SRC/openSUSE:Factory/.gthumb.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "gthumb"
Sat Nov 30 10:37:31 2019 rev:96 rq:750959 version:3.8.2
Changes:
--------
--- /work/SRC/openSUSE:…
[View More]Factory/gthumb/gthumb.changes 2019-09-11 10:34:26.711312745 +0200
+++ /work/SRC/openSUSE:Factory/.gthumb.new.26869/gthumb.changes 2019-11-30 10:39:06.240159774 +0100
@@ -1,0 +2,24 @@
+Mon Nov 18 19:33:35 UTC 2019 - Bjørn Lie <bjorn.lie(a)gmail.com>
+
+- Update to version 3.8.2:
+ + User visible changes:
+ - Use menus instead of popovers for menu buttons on the header
+ bar, to show icons and accelerators.
+ - Header bar: align menus to the right for menu buttons on the
+ right side.
+ - Tools menu: show the accelerators.
+ - Search: show the matching files during the search operation.
+ - Rename dialog: activate on enter.
+ + Bugs fixed:
+ - Fixed filesize test for big files.
+ - Overwrite dialog: do not show an error after cancelling the
+ operation.
+ - Fixed crash when moving files to the trash.
+ - Install missing UI files.
+ - Added image/webp support in .desktop file.
+ - Fix callback signature for value-changed signal when setting
+ zoom.
+ - Help: corrected wiki link.
+ + Updated translations.
+
+-------------------------------------------------------------------
Old:
----
gthumb-3.8.1.tar.xz
New:
----
gthumb-3.8.2.tar.xz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ gthumb.spec ++++++
--- /var/tmp/diff_new_pack.SHCXgv/_old 2019-11-30 10:39:07.276159650 +0100
+++ /var/tmp/diff_new_pack.SHCXgv/_new 2019-11-30 10:39:07.280159650 +0100
@@ -1,7 +1,7 @@
#
# spec file for package gthumb
#
-# Copyright (c) 2019 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2019 SUSE LLC.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -17,7 +17,7 @@
Name: gthumb
-Version: 3.8.1
+Version: 3.8.2
Release: 0
# FIXME: Add libchamplain BuildRequires once the map feature is considered stable.
Summary: An Image Viewer and Browser for GNOME
++++++ gthumb-3.8.1.tar.xz -> gthumb-3.8.2.tar.xz ++++++
++++ 7953 lines of diff (skipped)
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Hello community,
here is the log from the commit of package restic for openSUSE:Factory checked in at 2019-11-30 10:37:15
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/restic (Old)
and /work/SRC/openSUSE:Factory/.restic.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "restic"
Sat Nov 30 10:37:15 2019 rev:9 rq:750437 version:0.9.6
Changes:
--------
--- /work/SRC/openSUSE:…
[View More]Factory/restic/restic.changes 2019-06-12 13:10:38.585046706 +0200
+++ /work/SRC/openSUSE:Factory/.restic.new.26869/restic.changes 2019-11-30 10:38:36.688163324 +0100
@@ -1,0 +2,19 @@
+Sat Nov 23 13:23:28 UTC 2019 - Aleksa Sarai <asarai(a)suse.com>
+
+- Update to 0.9.6.
+ https://github.com/restic/restic/releases/tag/v0.9.6
+ See installed /usr/share/doc/packages/restic/CHANGELOG.md.
+
+ Fixes:
+ * Allow absolute path for filename when backing up from stdin
+ * Save files with invalid timestamps
+ * Read fresh metadata for unmodified files
+ * Add upper bound for t in --read-data-subset=n/t
+ * Check errors when loading index files
+
+ Enhancements:
+ + Allow multiple retries for interactive password input
+ + Make --group-by accept both singular and plural
+ + Add option to configure S3 region
+
+-------------------------------------------------------------------
Old:
----
restic-0.9.5.tar.gz
restic-0.9.5.tar.gz.asc
New:
----
restic-0.9.6.tar.gz
restic-0.9.6.tar.gz.asc
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ restic.spec ++++++
--- /var/tmp/diff_new_pack.JHXn7e/_old 2019-11-30 10:38:37.856163184 +0100
+++ /var/tmp/diff_new_pack.JHXn7e/_new 2019-11-30 10:38:37.860163183 +0100
@@ -1,7 +1,7 @@
#
# spec file for package restic
#
-# Copyright (c) 2019 SUSE LINUX GmbH, Nuernberg, Germany.
+# Copyright (c) 2019 SUSE LLC.
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -20,12 +20,12 @@
%define import_path github.com/restic/restic
Name: restic
-Version: 0.9.5
+Version: 0.9.6
Release: 0
Summary: Backup program with deduplication and encryption
License: BSD-2-Clause
Group: Productivity/Archiving/Backup
-Url: https://restic.net
+URL: https://restic.net
Source0: https://github.com/restic/restic/releases/download/v%{version}/%{name}-%{ve…
Source1: https://github.com/restic/restic/releases/download/v%{version}/%{name}-%{ve…
Source2: %{name}.keyring
++++++ restic-0.9.5.tar.gz -> restic-0.9.6.tar.gz ++++++
/work/SRC/openSUSE:Factory/restic/restic-0.9.5.tar.gz /work/SRC/openSUSE:Factory/.restic.new.26869/restic-0.9.6.tar.gz differ: char 13, line 1
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Hello community,
here is the log from the commit of package digikam for openSUSE:Factory checked in at 2019-11-30 10:37:12
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/digikam (Old)
and /work/SRC/openSUSE:Factory/.digikam.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "digikam"
Sat Nov 30 10:37:12 2019 rev:185 rq:750428 version:6.4.0
Changes:
--------
--- /work/SRC/…
[View More]openSUSE:Factory/digikam/digikam.changes 2019-10-02 14:55:45.115309018 +0200
+++ /work/SRC/openSUSE:Factory/.digikam.new.26869/digikam.changes 2019-11-30 10:38:22.724165002 +0100
@@ -1,0 +2,31 @@
+Thu Nov 21 21:38:08 UTC 2019 - wbauer(a)tmo.at
+
+- Add patch to make it build with exiv2 0.26 on Leap 15:
+ * 0001-Revert-Exiv2-is-now-released-with-exported-targets-u.patch
+ (boo#1156937)
+- Update to latest upstream 6.4.0 source tarball
+
+-------------------------------------------------------------------
+Sat Nov 9 23:41:23 UTC 2019 - wbauer(a)tmo.at
+
+- Update to 6.4.0
+ * https://www.digikam.org/news/2019-11-09-6.4.0_release_announcement/
+- New features (from NEWS):
+General : new RawImport plugin interface to delegate Raw
+ decoding function to extra engine with ImageEditor.
+General : new DImg plugin interface to externalize image loaders
+ from core implementation.
+General : new HEIC image loader compatible with media generated
+ by Apple devices.
+Import : add new option to convert on the fly to HEIC lossless
+ format while downloading.
+ImageEditor: add new setting from setup dialog to select right Raw
+ Import plugin.
+ImageEditor: add new clone tool to fix artifacts on image.
+ImageEditor: add new tool to import RAW image using UFRaw.
+ImageEditor: add new tool to import RAW image using RawTherapee.
+ImageEditor: add new tool to import RAW image using DarkTable.
+BQM : add new tool to convert to HEIC format.
+- 75 bugs fixed
+
+-------------------------------------------------------------------
Old:
----
digikam-6.3.0.tar.xz
New:
----
0001-Revert-Exiv2-is-now-released-with-exported-targets-u.patch
digikam-6.4.0.tar.xz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ digikam.spec ++++++
--- /var/tmp/diff_new_pack.9yTxXR/_old 2019-11-30 10:38:31.168163987 +0100
+++ /var/tmp/diff_new_pack.9yTxXR/_new 2019-11-30 10:38:31.172163987 +0100
@@ -19,15 +19,17 @@
%define soversion 6
%bcond_without lang
Name: digikam
-Version: 6.3.0
+Version: 6.4.0
Release: 0
Summary: A KDE Photo Manager
License: GPL-2.0-or-later
Group: Productivity/Graphics/Viewers
-URL: http://www.digikam.org/
-Source0: http://download.kde.org/stable/%{name}/%{version}/%{name}-%{version}.tar.xz
+URL: https://www.digikam.org/
+Source0: https://download.kde.org/stable/%{name}/%{version}/%{name}-%{version}.tar.xz
# PATCH-FIX-OPENSUSE 0001-Disable-detection-of-OpenGL-for-GLES-platforms.patch -- The OpenGL slideshow depends on Desktop GL, see kde#383715
Patch0: 0001-Disable-detection-of-OpenGL-for-GLES-platforms.patch
+# PATCH-FIX-OPENSUSE -- Lower minimum exiv2 version to 0.26
+Patch1: 0001-Revert-Exiv2-is-now-released-with-exported-targets-u.patch
BuildRequires: QtAV-devel >= 1.12
BuildRequires: bison
BuildRequires: boost-devel
@@ -173,6 +175,10 @@
# Disable OpenGL slideshow on embedded platforms
%patch0 -p1
%endif
+%if 0%{?suse_version} <= 1500
+# Leap 15 only has exiv2 0.26
+%patch1 -p1
+%endif
# Remove build time references so build-compare can do its work
FAKE_BUILDDATE=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes '+%%b %%e %%Y')
++++++ 0001-Revert-Exiv2-is-now-released-with-exported-targets-u.patch ++++++
>From 64454b942be9c61f3c981f7a18a77b332944d58a Mon Sep 17 00:00:00 2001
From: Wolfgang Bauer <wbauer(a)tmo.at>
Date: Tue, 12 Nov 2019 11:15:21 +0100
Subject: [PATCH] Revert "Exiv2 is now released with exported targets using
cmake rules. No need to have a dedicated find exiv2 cmake script. Bump
minimal version to 0.27.1"
This reverts commit 06e77271d72fe5e4abeb38641f3addc2cfbff126.
Fixes build on Leap 15.x which only have exiv2 0.26.
As there haven't been any changes other than to rely on the new cmake
files in exiv2 0.27, there should be no problems with the older version.
---
core/CMakeLists.txt | 14 +--
core/app/DigikamCoreTarget.cmake | 2 +-
core/cmake/modules/FindExiv2.cmake | 116 ++++++++++++++++++++++++++++++++
core/libs/metadataengine/CMakeLists.txt | 10 ++-
4 files changed, 126 insertions(+), 16 deletions(-)
create mode 100644 core/cmake/modules/FindExiv2.cmake
diff --git a/core/CMakeLists.txt b/core/CMakeLists.txt
index e31e267772..d14364dc1e 100644
--- a/core/CMakeLists.txt
+++ b/core/CMakeLists.txt
@@ -56,7 +56,7 @@ set(ECM_MIN_VERSION "1.7.0")
set(KF5_MIN_VERSION "5.1.0")
set(QT_MIN_VERSION "5.6.0")
set(LENSFUN_MIN_VERSION "0.2.6.0")
-set(EXIV2_MIN_VERSION "0.27.0")
+set(EXIV2_MIN_VERSION "0.26")
set(OPENCV_MIN_VERSION "3.1.0")
set(QTAV_MIN_VERSION "1.12.0")
set(KSANE_MIN_VERSION "5.0.0") # For digital scanner support.
@@ -248,9 +248,9 @@ find_package(EXPAT) # For DNGWriter: XMP SDK need Expat library to compile.
find_package(Threads) # For DNGWriter and LibRaw which needs native threads support.
find_package(X265) # For HEIF encoding support.
-find_package(exiv2 REQUIRED)
+find_package(Exiv2 ${EXIV2_MIN_VERSION} REQUIRED)
-set_package_properties("exiv2" PROPERTIES
+set_package_properties("Exiv2" PROPERTIES
DESCRIPTION "Required to build digiKam"
URL "http://www.exiv2.org"
TYPE RECOMMENDED
@@ -257,10 +257,6 @@ set_package_properties("Exiv2" PROPERTIES
PURPOSE "Library to manage image metadata"
)
-if("${exiv2_VERSION}" VERSION_LESS ${EXIV2_MIN_VERSION})
- message(FATAL_ERROR "Exiv2 version is too old (${exiv2_VERSION})! Minimal version required:${EXIV2_MIN_VERSION}.")
-endif()
-
# -- check Media player --------------------------------------------------------
find_package(FFmpeg COMPONENTS AVCODEC AVFILTER AVFORMAT AVUTIL SWSCALE)
@@ -585,7 +585,7 @@ PRINT_COMPONENT_COMPILE_STATUS("FacesEngine DNN Support" ENABLE_FACESENGINE_DNN)
# ==============================================================================
PRINT_LIBRARY_STATUS("libboostgraph" "http://www.boost.org/doc/libs" "(version >= 1.43.0)" Boost_FOUND)
-PRINT_LIBRARY_STATUS("libexiv2" "http://www.exiv2.org" "(version >= ${EXIV2_MIN_VERSION}" exiv2_FOUND)
+PRINT_LIBRARY_STATUS("libexiv2" "http://www.exiv2.org" "(version >= ${EXIV2_MIN_VERSION}" Exiv2_FOUND)
PRINT_LIBRARY_STATUS("libexpat" "http://expat.sourceforge.net" "(version >= 2.0.0)" EXPAT_FOUND)
PRINT_LIBRARY_STATUS("libjpeg" "http://www.ijg.org" "(version >= 6b)" JPEG_FOUND)
PRINT_LIBRARY_STATUS("libkde" "http://www.kde.org" "(version >= ${KF5_MIN_VERSION})" KF5_FOUND)
@@ -627,7 +627,7 @@ PRINT_OPTIONAL_LIBRARY_STATUS("OpenGL" "https://www.mesa3d.org"
# ==============================================================================
if(Boost_FOUND AND
- exiv2_FOUND AND
+ Exiv2_FOUND AND
EXPAT_FOUND AND
JPEG_FOUND AND
KF5_FOUND AND
diff --git a/core/app/DigikamCoreTarget.cmake b/core/app/DigikamCoreTarget.cmake
index 72b424cb36..7aa6dc5a1e 100644
--- a/core/app/DigikamCoreTarget.cmake
+++ b/core/app/DigikamCoreTarget.cmake
@@ -116,7 +116,7 @@ target_link_libraries(digikamcore
${TIFF_LIBRARIES}
PNG::PNG
${JPEG_LIBRARIES}
- exiv2lib
+ ${EXIV2_LIBRARIES}
${FFMPEG_LIBRARIES}
diff --git a/core/cmake/modules/FindExiv2.cmake b/core/cmake/modules/FindExiv2.cmake
new file mode 100644
index 0000000000..912ffaee0c
--- /dev/null
+++ b/core/cmake/modules/FindExiv2.cmake
@@ -0,0 +1,116 @@
+# - Try to find the Exiv2 library
+#
+# EXIV2_MIN_VERSION - You can set this variable to the minimum version you need
+# before doing FIND_PACKAGE(Exiv2). The default is 0.26.
+#
+# Once done this will define
+#
+# EXIV2_FOUND - system has libexiv2
+# EXIV2_VERSION - the version of libexiv2
+# EXIV2_INCLUDE_DIR - the libexiv2 include directory
+# EXIV2_LIBRARIES - Link these to use libexiv2
+# EXIV2_DEFINITIONS - Compiler switches required for using libexiv2
+#
+# The minimum required version of Exiv2 can be specified using the
+# standard syntax, e.g. find_package(Exiv2 0.26)
+#
+# For compatibility, also the variable EXIV2_MIN_VERSION can be set to the minimum version
+# you need before doing FIND_PACKAGE(Exiv2). The default is 0.26.
+#
+# Copyright (c) 2010, Alexander Neundorf, <neundorf at kde dot org>
+# Copyright (c) 2008-2019, Gilles Caulier, <caulier dot gilles at gmail dot com>
+#
+# Redistribution and use is allowed according to the terms of the BSD license.
+# For details see the accompanying COPYING-CMAKE-SCRIPTS file.
+
+# Support EXIV2_MIN_VERSION for compatibility:
+
+if(NOT Exiv2_FIND_VERSION)
+
+ set(Exiv2_FIND_VERSION "${EXIV2_MIN_VERSION}")
+
+endif()
+
+# The minimum version of exiv2 we require
+if(NOT Exiv2_FIND_VERSION)
+
+ set(Exiv2_FIND_VERSION "0.26")
+
+endif()
+
+if(NOT WIN32)
+
+ # use pkg-config to get the directories and then use these values
+ # in the FIND_PATH() and FIND_LIBRARY() calls
+ find_package(PkgConfig)
+ pkg_check_modules(PC_EXIV2 QUIET exiv2)
+ set(EXIV2_DEFINITIONS ${PC_EXIV2_CFLAGS_OTHER})
+
+endif()
+
+find_path(EXIV2_INCLUDE_DIR NAMES exiv2/exif.hpp
+ HINTS
+ ${PC_EXIV2_INCLUDEDIR}
+ ${PC_EXIV2_INCLUDE_DIRS}
+ )
+
+find_library(EXIV2_LIBRARY NAMES exiv2 libexiv2 exiv2lib
+ HINTS
+ ${PC_EXIV2_LIBDIR}
+ ${PC_EXIV2_LIBRARY_DIRS}
+ )
+
+if (EXIV2_INCLUDE_DIR AND NOT EXIV2_VERSION)
+
+ # For Exiv2 <= 0.26, get the version number from exiv2/version.hpp and store it in the cache:
+
+ file(READ ${EXIV2_INCLUDE_DIR}/exiv2/version.hpp EXIV2_VERSION_CONTENT)
+ string(REGEX MATCH "#define EXIV2_MAJOR_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_MAJOR "${CMAKE_MATCH_1}")
+
+ string(REGEX MATCH "#define EXIV2_MINOR_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_MINOR "${CMAKE_MATCH_1}")
+
+ string(REGEX MATCH "#define EXIV2_PATCH_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_PATCH "${CMAKE_MATCH_1}")
+
+ if(NOT "${EXIV2_VERSION_MAJOR}" STREQUAL "" AND
+ NOT "${EXIV2_VERSION_MINOR}" STREQUAL "" AND
+ NOT "${EXIV2_VERSION_PATCH}" STREQUAL "")
+
+ set(EXIV2_VERSION "${EXIV2_VERSION_MAJOR}.${EXIV2_VERSION_MINOR}.${EXIV2_VERSION_PATCH}"
+ CACHE STRING "Version number of Exiv2" FORCE)
+ else()
+
+ # For Exiv2 >= 0.27, get the version number from exiv2/exv_conf.h and store it in the cache:
+
+ file(READ ${EXIV2_INCLUDE_DIR}/exiv2/exv_conf.h EXIV2_VERSION_CONTENT)
+ string(REGEX MATCH "#define EXIV2_MAJOR_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_MAJOR "${CMAKE_MATCH_1}")
+
+ string(REGEX MATCH "#define EXIV2_MINOR_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_MINOR "${CMAKE_MATCH_1}")
+
+ string(REGEX MATCH "#define EXIV2_PATCH_VERSION +\\( *([0-9]+) *\\)" _dummy "${EXIV2_VERSION_CONTENT}")
+ set(EXIV2_VERSION_PATCH "${CMAKE_MATCH_1}")
+
+ set(EXIV2_VERSION "${EXIV2_VERSION_MAJOR}.${EXIV2_VERSION_MINOR}.${EXIV2_VERSION_PATCH}"
+ CACHE STRING "Version number of Exiv2" FORCE)
+
+ endif()
+
+endif()
+
+set(EXIV2_LIBRARIES "${EXIV2_LIBRARY}")
+
+include(FindPackageHandleStandardArgs)
+find_package_handle_standard_args(Exiv2 REQUIRED_VARS EXIV2_LIBRARY EXIV2_INCLUDE_DIR
+ VERSION_VAR EXIV2_VERSION)
+
+MESSAGE(STATUS "EXIV2_FOUND = ${EXIV2_FOUND}")
+MESSAGE(STATUS "EXIV2_VERSION = ${EXIV2_VERSION}")
+MESSAGE(STATUS "EXIV2_INCLUDE_DIR = ${EXIV2_INCLUDE_DIR}")
+MESSAGE(STATUS "EXIV2_LIBRARY = ${EXIV2_LIBRARY}")
+MESSAGE(STATUS "EXIV2_DEFINITIONS = ${EXIV2_DEFINITIONS}")
+
+mark_as_advanced(EXIV2_INCLUDE_DIR EXIV2_LIBRARY)
diff --git a/core/libs/metadataengine/CMakeLists.txt b/core/libs/metadataengine/CMakeLists.txt
index 64754c882c..da6fac050a 100644
--- a/core/libs/metadataengine/CMakeLists.txt
+++ b/core/libs/metadataengine/CMakeLists.txt
@@ -7,14 +7,13 @@
kde_enable_exceptions()
-# TODO: How to extract exiv2lib definitions properties with cmake import interface?
-#add_definitions($<TARGET_PROPERTY:exiv2lib,INTERFACE_COMPILE_DEFINITIONS>)
+add_definitions(${EXIV2_DEFINITIONS})
if(WIN32)
- add_definitions(-DEXV_HAVE_DLL)
+ add_definitions( -DEXV_HAVE_DLL )
endif()
-if("${exiv2_VERSION}" VERSION_LESS "0.27.99")
+if("${EXIV2_VERSION}" VERSION_LESS "0.27.99")
# Exiv2 version < 0.28 use auto_ptr instead unique_ptr which is deprecated.
DISABLE_GCC_COMPILER_WARNINGS("5.99.99" "-Wno-deprecated")
@@ -64,13 +63,12 @@ set(libdmetadata_SRCS
)
include_directories(
+ ${EXIV2_INCLUDE_DIR}
$<TARGET_PROPERTY:Qt5::Gui,INTERFACE_INCLUDE_DIRECTORIES>
$<TARGET_PROPERTY:Qt5::Core,INTERFACE_INCLUDE_DIRECTORIES>
$<TARGET_PROPERTY:KF5::ConfigCore,INTERFACE_INCLUDE_DIRECTORIES>
$<TARGET_PROPERTY:KF5::I18n,INTERFACE_INCLUDE_DIRECTORIES>
-
- $<TARGET_PROPERTY:exiv2lib,INTERFACE_INCLUDE_DIRECTORIES>
)
add_library(dmetadata_src OBJECT ${libdmetadata_SRCS})
--
2.16.4
++++++ digikam-6.3.0.tar.xz -> digikam-6.4.0.tar.xz ++++++
/work/SRC/openSUSE:Factory/digikam/digikam-6.3.0.tar.xz /work/SRC/openSUSE:Factory/.digikam.new.26869/digikam-6.4.0.tar.xz differ: char 15, line 1
[View Less]
1
0
Hello community,
here is the log from the commit of package votca-ctp for openSUSE:Factory checked in at 2019-11-30 10:37:10
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/votca-ctp (Old)
and /work/SRC/openSUSE:Factory/.votca-ctp.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-ctp"
Sat Nov 30 10:37:10 2019 rev:2 rq:750181 version:1.5.1
Changes:
--------
--- /work/…
[View More]SRC/openSUSE:Factory/votca-ctp/votca-ctp.changes 2019-02-28 21:39:34.797617982 +0100
+++ /work/SRC/openSUSE:Factory/.votca-ctp.new.26869/votca-ctp.changes 2019-11-30 10:38:11.780166316 +0100
@@ -1,0 +2,6 @@
+Thu Nov 21 15:08:35 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Upgrade to 1.5.1:
+ * fix bug on epel7
+
+-------------------------------------------------------------------
Old:
----
votca-ctp-1.5.tar.gz
votca-ctp-manual-1.5.pdf
New:
----
votca-ctp-1.5.1.tar.gz
votca-ctp-manual-1.5.1.pdf
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ votca-ctp.spec ++++++
--- /var/tmp/diff_new_pack.BhUDWS/_old 2019-11-30 10:38:13.336166129 +0100
+++ /var/tmp/diff_new_pack.BhUDWS/_new 2019-11-30 10:38:13.368166125 +0100
@@ -18,7 +18,7 @@
Name: votca-ctp
-Version: 1.5
+Version: 1.5.1
%define uversion %{version}
%define sover 5
Release: 0
++++++ votca-ctp-1.5.tar.gz -> votca-ctp-1.5.1.tar.gz ++++++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/.gitlab-ci.yml new/ctp-1.5.1/.gitlab-ci.yml
--- old/ctp-1.5/.gitlab-ci.yml 1970-01-01 01:00:00.000000000 +0100
+++ new/ctp-1.5.1/.gitlab-ci.yml 2019-11-21 03:37:03.000000000 +0100
@@ -0,0 +1,119 @@
+stages:
+ - canary
+ - build
+
+.build:
+ retry:
+ max: 2
+ variables:
+ CCACHE_DIR: "${CI_PROJECT_DIR}/ccache"
+ CXXFLAGS: "-Wall -Werror"
+ DISTRO: "latest"
+ image: votca/buildenv:${DISTRO}
+ stage: build
+ artifacts:
+ paths:
+ - ${CI_PROJECT_DIR}/votca
+ when: always
+ dependencies: []
+ cache:
+ paths:
+ - ccache/
+ script:
+ - ccache -z
+ - j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++))
+ - git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA}
+ - git clone https://github.com/votca/votca
+ - pushd votca
+ - if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then
+ git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG};
+ elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
+ git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]};
+ fi
+ - git submodule update --recursive --init
+ - git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} commit_of_build_${CI_BUILD_ID}
+ - git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID}
+ - git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA}
+ - mkdir -p build
+ - pushd build
+ - cmake .. -DENABLE_TESTING=ON -DBUILD_XTP=ON -DBUILD_CTP=ON -DBUILD_CTP_MANUAL=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
+ - make -O -k -j${j} -l${j} VERBOSE=1
+ - make test CTEST_OUTPUT_ON_FAILURE=1
+ - make install DESTDIR=${PWD}/install && rm -rf ${PWD}/install/usr && rmdir ${PWD}/install
+ - sudo make install
+ - ccache -s
+
+Debug GCC:
+ stage: canary
+ variables:
+ CC: "gcc"
+ CXX: "g++"
+ CMAKE_BUILD_TYPE: "Debug"
+ extends: .build
+
+None GCC:
+ variables:
+ CC: "gcc"
+ CXX: "g++"
+ CMAKE_BUILD_TYPE: ""
+ extends: .build
+
+None Clang:
+ variables:
+ CC: "clang"
+ CXX: "clang++"
+ CMAKE_BUILD_TYPE: ""
+ extends: .build
+
+Debug Clang:
+ variables:
+ CC: "clang"
+ CXX: "clang++"
+ CMAKE_BUILD_TYPE: "Debug"
+ extends: .build
+
+Release GCC:
+ variables:
+ CC: "gcc"
+ CXX: "g++"
+ CMAKE_BUILD_TYPE: "Release"
+ extends: .build
+
+Release Clang:
+ variables:
+ CC: "clang"
+ CXX: "clang++"
+ CMAKE_BUILD_TYPE: "Release"
+ extends: .build
+
+Debug GCC Ubuntu:
+ variables:
+ CC: "gcc"
+ CXX: "g++"
+ CMAKE_BUILD_TYPE: "Debug"
+ DISTRO: "ubuntu"
+ extends: .build
+
+Debug Clang Ubuntu:
+ variables:
+ CC: "clang"
+ CXX: "clang++"
+ CMAKE_BUILD_TYPE: "Debug"
+ DISTRO: "ubuntu"
+ extends: .build
+
+Release GCC Ubuntu:
+ variables:
+ CC: "gcc"
+ CXX: "g++"
+ CMAKE_BUILD_TYPE: "Release"
+ DISTRO: "ubuntu"
+ extends: .build
+
+Release Clang Ubuntu:
+ variables:
+ CC: "clang"
+ CXX: "clang++"
+ CMAKE_BUILD_TYPE: "Release"
+ DISTRO: "ubuntu"
+ extends: .build
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/.travis.yml new/ctp-1.5.1/.travis.yml
--- old/ctp-1.5/.travis.yml 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/.travis.yml 2019-11-21 03:37:03.000000000 +0100
@@ -45,7 +45,7 @@
else
git clone --recursive https://github.com/votca/votca.git $HOME/docker/votca;
if [[ ${TRAVIS_BRANCH} != master ]]; then
- git -C ${HOME}/docker/votca checkout -b ${TRAVIS_BRANCH} origin/${TRAVIS_BRANCH} && git -C ${HOME}/docker/votca submodule update --recursive --init;
+ git -C ${HOME}/docker/votca checkout -b ${TRAVIS_BRANCH} ${TRAVIS_TAG:-origin/${TRAVIS_BRANCH}} && git -C ${HOME}/docker/votca submodule update --recursive --init;
fi;
git -C ${HOME}/docker/votca/${TRAVIS_REPO_SLUG#*/} fetch ${PWD}/${TRAVIS_REPO_SLUG} current_commit;
git -C ${HOME}/docker/votca/${TRAVIS_REPO_SLUG#*/} checkout -f FETCH_HEAD;
@@ -112,6 +112,7 @@
- development
- stable
- next
+ - /^v\d+\.\d+(\.\d+|_rc\d+)?$/
cache:
- ccache
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/CHANGELOG.md new/ctp-1.5.1/CHANGELOG.md
--- old/ctp-1.5/CHANGELOG.md 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/CHANGELOG.md 2019-11-21 03:37:03.000000000 +0100
@@ -1,6 +1,9 @@
For more detailed information about the changes see the history of the [repository](https://github.com/votca/ctp/commits/master).
-## Version 1.5 rc1 (released XX.XX.19)
+## Version 1.5.1 (released 20.11.19)
+* fix bug on epel7
+
+## Version 1.5 (released 28.01.19)
* Updated manual: EWALD3D documentation
* Moved kinetic Monte Carl to votca-ctp
* KMC now supports more than one charge
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/CMakeLists.txt new/ctp-1.5.1/CMakeLists.txt
--- old/ctp-1.5/CMakeLists.txt 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/CMakeLists.txt 2019-11-21 03:37:03.000000000 +0100
@@ -1,7 +1,7 @@
cmake_minimum_required(VERSION 3.1)
project(votca-ctp)
-set(PROJECT_VERSION "1.5")
+set(PROJECT_VERSION "1.5.1")
set(PROJECT_CONTACT "bugs(a)votca.org")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/manual/CMakeLists.txt new/ctp-1.5.1/manual/CMakeLists.txt
--- old/ctp-1.5/manual/CMakeLists.txt 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/manual/CMakeLists.txt 2019-11-21 03:37:03.000000000 +0100
@@ -21,7 +21,7 @@
set_property(DIRECTORY APPEND PROPERTY ADDITIONAL_MAKE_CLEAN_FILES gitid.tex)
add_custom_command(OUTPUT gitid.tex DEPENDS ctp-gitid)
-foreach(prog votca_property inkscape dvipdf)
+foreach(prog votca_property inkscape dvips ps2pdf)
string(TOUPPER "${prog}" PROG)
if(TARGET ${prog})
set(${PROG} $<TARGET_FILE:${prog}>)
@@ -93,7 +93,8 @@
)
add_custom_command(OUTPUT ctp-manual.pdf
- COMMAND ${DVIPDF} ctp-manual.dvi ctp-manual.pdf
+ COMMAND ${DVIPS} ctp-manual.dvi
+ COMMAND ${PS2PDF} ctp-manual.ps ctp-manual.pdf
DEPENDS ctp-manual_dvi
)
add_custom_target(ctp-manual_pdf ALL DEPENDS ctp-manual.pdf)
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/manual/fig/CMakeLists.txt new/ctp-1.5.1/manual/fig/CMakeLists.txt
--- old/ctp-1.5/manual/fig/CMakeLists.txt 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/manual/fig/CMakeLists.txt 2019-11-21 03:37:03.000000000 +0100
@@ -1,8 +1,9 @@
foreach(PIC fig/logo fig/dcv2t fig/coupling fig/fragment_segment fig/monomer_parabolas fig/workflow)
add_custom_command(OUTPUT ${PIC}.eps
- COMMAND ${INKSCAPE} -f ${CMAKE_CURRENT_SOURCE_DIR}/${PIC}.svg
- -E ${CMAKE_CURRENT_BINARY_DIR}/${PIC}.eps
- WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/fig
+ COMMAND ${CMAKE_COMMAND} -E copy_if_different ${CMAKE_CURRENT_SOURCE_DIR}/${PIC}.svg
+ ${CMAKE_CURRENT_BINARY_DIR}/${PIC}.svg
+ COMMAND ${INKSCAPE} -f ${PIC}.svg -E ${PIC}.eps
+ WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
DEPENDS ${PIC}.svg)
list(APPEND manual_FIGURES "${PIC}.eps")
endforeach()
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/apolarsite.cc new/ctp-1.5.1/src/libctp/apolarsite.cc
--- old/ctp-1.5/src/libctp/apolarsite.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/apolarsite.cc 2019-11-21 03:37:03.000000000 +0100
@@ -806,14 +806,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -834,18 +834,18 @@
double pyy, pyz;
double pzz;
if (split.size() == 7) {
- pxx = 1e-3 * boost::lexical_cast<double>(split[1]);
- pxy = 1e-3 * boost::lexical_cast<double>(split[2]);
- pxz = 1e-3 * boost::lexical_cast<double>(split[3]);
- pyy = 1e-3 * boost::lexical_cast<double>(split[4]);
- pyz = 1e-3 * boost::lexical_cast<double>(split[5]);
- pzz = 1e-3 * boost::lexical_cast<double>(split[6]);
+ pxx = 1e-3 * stod(split[1]);
+ pxy = 1e-3 * stod(split[2]);
+ pxz = 1e-3 * stod(split[3]);
+ pyy = 1e-3 * stod(split[4]);
+ pyz = 1e-3 * stod(split[5]);
+ pzz = 1e-3 * stod(split[6]);
P1 = matrix(vec(pxx,pxy,pxz),
vec(pxy,pyy,pyz),
vec(pxz,pyz,pzz));
}
else if (split.size() == 2) {
- pxx = 1e-3 * boost::lexical_cast<double>(split[1]);
+ pxx = 1e-3 * stod(split[1]);
pxy = 0.0;
pxz = 0.0;
pyy = pxx;
@@ -866,10 +866,10 @@
else {
int lineRank = int( sqrt(Qs.size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (unsigned i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
qXYZ *= pow(BOHR2NM, lineRank); // OVERRIDE
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/eimport.h new/ctp-1.5.1/src/libctp/calculators/eimport.h
--- old/ctp-1.5/src/libctp/calculators/eimport.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/eimport.h 2019-11-21 03:37:03.000000000 +0100
@@ -111,8 +111,8 @@
assert(state_N == 0);
assert(state_C*state_C == 1);
- double e_N = boost::lexical_cast<double>(split[3]);
- double e_C = boost::lexical_cast<double>(split[5]);
+ double e_N = stod(split[3]);
+ double e_C = stod(split[5]);
seg->setEMpoles(state_N, e_N);
seg->setEMpoles(state_C, e_C);
@@ -128,9 +128,9 @@
assert(state_A == -1);
assert(state_C == +1);
- double e_N = boost::lexical_cast<double>(split[3]);
- double e_A = boost::lexical_cast<double>(split[5]);
- double e_C = boost::lexical_cast<double>(split[7]);
+ double e_N = stod(split[3]);
+ double e_A = stod(split[5]);
+ double e_C = stod(split[7]);
seg->setEMpoles(state_N, e_N);
seg->setEMpoles(state_A, e_A);
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/emultipole.h new/ctp-1.5.1/src/libctp/calculators/emultipole.h
--- old/ctp-1.5/src/libctp/calculators/emultipole.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/emultipole.h 2019-11-21 03:37:03.000000000 +0100
@@ -989,14 +989,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -1020,7 +1020,7 @@
if (split.size() == 7) {
warn_anisotropy = true;
}
- P1 = 1e-3 * boost::lexical_cast<double>(split[1]);
+ P1 = 1e-3 * stod(split[1]);
thisPole->setPs(P1, state);
useDefaultPs = false;
}
@@ -1031,12 +1031,12 @@
int lineRank = int( sqrt(thisPole->getQs(state).size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (unsigned int i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
@@ -1141,9 +1141,9 @@
if (lineCount == 3) {
assert( split.size() == 4 );
- double ox = boost::lexical_cast<double>( split[1] );
- double oy = boost::lexical_cast<double>( split[2] );
- double oz = boost::lexical_cast<double>( split[3] );
+ double ox = stod( split[1] );
+ double oy = stod( split[2] );
+ double oz = stod( split[3] );
cube[0] = vec(ox, oy, oz);
}
@@ -1170,12 +1170,12 @@
if (lineCount == 4) {
assert( split.size() == 4 );
- Nx = boost::lexical_cast<double>( split[0] );
+ Nx = stod( split[0] );
ext2nm = (Nx > 0) ? BOHR2NM : ANGSTROM2NM;
Nx = (Nx >= 0) ? Nx : -Nx;
- double xx = ext2nm * boost::lexical_cast<double>( split[1] );
- double xy = ext2nm * boost::lexical_cast<double>( split[2] );
- double xz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double xx = ext2nm * stod( split[1] );
+ double xy = ext2nm * stod( split[2] );
+ double xz = ext2nm * stod( split[3] );
cube[2] = vec(xx, xy, xz);
}
@@ -1183,12 +1183,12 @@
if (lineCount == 5) {
assert( split.size() == 4 );
- Ny = boost::lexical_cast<double>( split[0] );
+ Ny = stod( split[0] );
ext2nm = (Ny > 0) ? BOHR2NM : ANGSTROM2NM;
Ny = (Ny >= 0) ? Ny : -Ny;
- double yx = ext2nm * boost::lexical_cast<double>( split[1] );
- double yy = ext2nm * boost::lexical_cast<double>( split[2] );
- double yz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double yx = ext2nm * stod( split[1] );
+ double yy = ext2nm * stod( split[2] );
+ double yz = ext2nm * stod( split[3] );
cube[3] = vec(yx, yy, yz);
}
@@ -1196,12 +1196,12 @@
if (lineCount == 6) {
assert( split.size() == 4 );
- Nz = boost::lexical_cast<double>( split[0] );
+ Nz = stod( split[0] );
ext2nm = (Nz > 0) ? BOHR2NM : ANGSTROM2NM;
Nz = (Nz >= 0) ? Nz : -Nz;
- double zx = ext2nm * boost::lexical_cast<double>( split[1] );
- double zy = ext2nm * boost::lexical_cast<double>( split[2] );
- double zz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double zx = ext2nm * stod( split[1] );
+ double zy = ext2nm * stod( split[2] );
+ double zz = ext2nm * stod( split[3] );
cube[4] = vec(zx, zy, zz);
cube[1] = vec(Nx, Ny, Nz);
@@ -1650,9 +1650,9 @@
else {
- double x = CONVERT2NM * boost::lexical_cast<double>(split[0]);
- double y = CONVERT2NM * boost::lexical_cast<double>(split[1]);
- double z = CONVERT2NM * boost::lexical_cast<double>(split[2]);
+ double x = CONVERT2NM * stod(split[0]);
+ double y = CONVERT2NM * stod(split[1]);
+ double z = CONVERT2NM * stod(split[2]);
gridPoints.push_back(vec(x,y,z));
}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/emultipole_stdal.h new/ctp-1.5.1/src/libctp/calculators/emultipole_stdal.h
--- old/ctp-1.5/src/libctp/calculators/emultipole_stdal.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/emultipole_stdal.h 2019-11-21 03:37:03.000000000 +0100
@@ -672,14 +672,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -700,7 +700,7 @@
// 'P', dipole polarizability
else if ( split[0] == "P" && split.size() == 2 ) {
- P1 = 1e-3 * boost::lexical_cast<double>(split[1]);
+ P1 = 1e-3 * stod(split[1]);
thisPole->setPs(P1, state);
useDefaultPs = false;
}
@@ -711,12 +711,12 @@
int lineRank = int( sqrt(thisPole->getQs(state).size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (unsigned int i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
@@ -816,9 +816,9 @@
if (lineCount == 3) {
assert( split.size() == 4 );
- double ox = boost::lexical_cast<double>( split[1] );
- double oy = boost::lexical_cast<double>( split[2] );
- double oz = boost::lexical_cast<double>( split[3] );
+ double ox = stod( split[1] );
+ double oy = stod( split[2] );
+ double oz = stod( split[3] );
cube[0] = vec(ox, oy, oz);
}
@@ -845,12 +845,12 @@
if (lineCount == 4) {
assert( split.size() == 4 );
- Nx = boost::lexical_cast<double>( split[0] );
+ Nx = stod( split[0] );
ext2nm = (Nx > 0) ? BOHR2NM : ANGSTROM2NM;
Nx = (Nx >= 0) ? Nx : -Nx;
- double xx = ext2nm * boost::lexical_cast<double>( split[1] );
- double xy = ext2nm * boost::lexical_cast<double>( split[2] );
- double xz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double xx = ext2nm * stod( split[1] );
+ double xy = ext2nm * stod( split[2] );
+ double xz = ext2nm * stod( split[3] );
cube[2] = vec(xx, xy, xz);
}
@@ -858,12 +858,12 @@
if (lineCount == 5) {
assert( split.size() == 4 );
- Ny = boost::lexical_cast<double>( split[0] );
+ Ny = stod( split[0] );
ext2nm = (Ny > 0) ? BOHR2NM : ANGSTROM2NM;
Ny = (Ny >= 0) ? Ny : -Ny;
- double yx = ext2nm * boost::lexical_cast<double>( split[1] );
- double yy = ext2nm * boost::lexical_cast<double>( split[2] );
- double yz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double yx = ext2nm * stod( split[1] );
+ double yy = ext2nm * stod( split[2] );
+ double yz = ext2nm * stod( split[3] );
cube[3] = vec(yx, yy, yz);
}
@@ -871,12 +871,12 @@
if (lineCount == 6) {
assert( split.size() == 4 );
- Nz = boost::lexical_cast<double>( split[0] );
+ Nz = stod( split[0] );
ext2nm = (Nz > 0) ? BOHR2NM : ANGSTROM2NM;
Nz = (Nz >= 0) ? Nz : -Nz;
- double zx = ext2nm * boost::lexical_cast<double>( split[1] );
- double zy = ext2nm * boost::lexical_cast<double>( split[2] );
- double zz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double zx = ext2nm * stod( split[1] );
+ double zy = ext2nm * stod( split[2] );
+ double zz = ext2nm * stod( split[3] );
cube[4] = vec(zx, zy, zz);
cube[1] = vec(Nx, Ny, Nz);
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/eoutersphere.cc new/ctp-1.5.1/src/libctp/calculators/eoutersphere.cc
--- old/ctp-1.5/src/libctp/calculators/eoutersphere.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/eoutersphere.cc 2019-11-21 03:37:03.000000000 +0100
@@ -378,14 +378,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -409,7 +409,7 @@
if (split.size() == 7) {
warn_anisotropy = true;
}
- P1 = 1e-3 * boost::lexical_cast<double>(split[1]);
+ P1 = 1e-3 * stod(split[1]);
thisPole->setPs(P1, state);
useDefaultPs = false;
}
@@ -420,12 +420,12 @@
int lineRank = int( sqrt(thisPole->getQs(state).size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (unsigned int i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/iimport.h new/ctp-1.5.1/src/libctp/calculators/iimport.h
--- old/ctp-1.5/src/libctp/calculators/iimport.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/iimport.h 2019-11-21 03:37:03.000000000 +0100
@@ -192,7 +192,7 @@
}
int e_h_1 = (split[2] == "e") ? -1 : +1;
- double j2_1 = boost::lexical_cast<double>(split[3]);
+ double j2_1 = stod(split[3]);
if (split.size() == 6) {
@@ -201,7 +201,7 @@
cout << endl << "... ... Invalid line: " << line << flush;
continue;
}
- double j2_2 = boost::lexical_cast<double>(split[5]);
+ double j2_2 = stod(split[5]);
qmp->setJeff2(j2_2, e_h_2);
qmp->setIsPathCarrier(true, e_h_2);
@@ -295,9 +295,9 @@
split[0] == "!" ||
split[0].substr(0,1) == "!" ) { continue; }
- double distance = boost::lexical_cast<double>(split[0]);
- double mean = boost::lexical_cast<double>(split[1]);
- double sigma = boost::lexical_cast<double>(split[2]);
+ double distance = stod(split[0]);
+ double mean = stod(split[1]);
+ double sigma = stod(split[2]);
cout << " " << distance << " nm: " << mean << " +/- " << sigma << endl;
distances.push_back(distance);
means.push_back(mean);
@@ -384,14 +384,14 @@
assert(TRANSPORT == "electron" || TRANSPORT == "hole");
STATE = (TRANSPORT == "electron") ? -1 : +1;
if (_TI_tag == "J" || _TI_tag == "T_00") {
- double J = boost::lexical_cast<double>(split[1]);
+ double J = stod(split[1]);
qmpair->setJeff2(J*J, STATE);
qmpair->setIsPathCarrier(1, STATE);
printf("\n... ... ... J2(State = %+1d) = %4.7e",
STATE, qmpair->getJeff2(STATE));
}
else if (_TI_tag == "J_sq_degen" || _TI_tag == "J_sq_boltz") {
- double J2 = boost::lexical_cast<double>(split[1]);
+ double J2 = stod(split[1]);
qmpair->setJeff2(J2, STATE);
qmpair->setIsPathCarrier(1, STATE);
printf("\n... ... ... J2(State = %+1d) = %4.7e",
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/qmultipole.h new/ctp-1.5.1/src/libctp/calculators/qmultipole.h
--- old/ctp-1.5/src/libctp/calculators/qmultipole.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/qmultipole.h 2019-11-21 03:37:03.000000000 +0100
@@ -945,9 +945,9 @@
if (lineCount == 3) {
assert( split.size() == 4 );
- double ox = boost::lexical_cast<double>( split[1] );
- double oy = boost::lexical_cast<double>( split[2] );
- double oz = boost::lexical_cast<double>( split[3] );
+ double ox = stod( split[1] );
+ double oy = stod( split[2] );
+ double oz = stod( split[3] );
cube[0] = vec(ox, oy, oz);
}
@@ -974,12 +974,12 @@
if (lineCount == 4) {
assert( split.size() == 4 );
- Nx = boost::lexical_cast<double>( split[0] );
+ Nx = stod( split[0] );
ext2nm = (Nx > 0) ? BOHR2NM : ANGSTROM2NM;
Nx = (Nx >= 0) ? Nx : -Nx;
- double xx = ext2nm * boost::lexical_cast<double>( split[1] );
- double xy = ext2nm * boost::lexical_cast<double>( split[2] );
- double xz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double xx = ext2nm * stod( split[1] );
+ double xy = ext2nm * stod( split[2] );
+ double xz = ext2nm * stod( split[3] );
cube[2] = vec(xx, xy, xz);
}
@@ -987,12 +987,12 @@
if (lineCount == 5) {
assert( split.size() == 4 );
- Ny = boost::lexical_cast<double>( split[0] );
+ Ny = stod( split[0] );
ext2nm = (Ny > 0) ? BOHR2NM : ANGSTROM2NM;
Ny = (Ny >= 0) ? Ny : -Ny;
- double yx = ext2nm * boost::lexical_cast<double>( split[1] );
- double yy = ext2nm * boost::lexical_cast<double>( split[2] );
- double yz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double yx = ext2nm * stod( split[1] );
+ double yy = ext2nm * stod( split[2] );
+ double yz = ext2nm * stod( split[3] );
cube[3] = vec(yx, yy, yz);
}
@@ -1000,12 +1000,12 @@
if (lineCount == 6) {
assert( split.size() == 4 );
- Nz = boost::lexical_cast<double>( split[0] );
+ Nz = stod( split[0] );
ext2nm = (Nz > 0) ? BOHR2NM : ANGSTROM2NM;
Nz = (Nz >= 0) ? Nz : -Nz;
- double zx = ext2nm * boost::lexical_cast<double>( split[1] );
- double zy = ext2nm * boost::lexical_cast<double>( split[2] );
- double zz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double zx = ext2nm * stod( split[1] );
+ double zy = ext2nm * stod( split[2] );
+ double zz = ext2nm * stod( split[3] );
cube[4] = vec(zx, zy, zz);
cube[1] = vec(Nx, Ny, Nz);
@@ -1325,9 +1325,9 @@
else {
- double x = CONVERT2NM * boost::lexical_cast<double>(split[0]);
- double y = CONVERT2NM * boost::lexical_cast<double>(split[1]);
- double z = CONVERT2NM * boost::lexical_cast<double>(split[2]);
+ double x = CONVERT2NM * stod(split[0]);
+ double y = CONVERT2NM * stod(split[1]);
+ double z = CONVERT2NM * stod(split[2]);
gridPoints.push_back(vec(x,y,z));
}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/xmultipole.h new/ctp-1.5.1/src/libctp/calculators/xmultipole.h
--- old/ctp-1.5/src/libctp/calculators/xmultipole.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/xmultipole.h 2019-11-21 03:37:03.000000000 +0100
@@ -893,14 +893,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -921,7 +921,7 @@
// 'P', dipole polarizability
else if ( split[0] == "P" && split.size() == 2 ) {
- P1 = 1e-3 * boost::lexical_cast<double>(split[1]);
+ P1 = 1e-3 * stod(split[1]);
thisPole->setPs(P1, state);
useDefaultPs = false;
}
@@ -932,12 +932,12 @@
int lineRank = int( sqrt(thisPole->getQs(state).size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (int i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/xmultipole2.h new/ctp-1.5.1/src/libctp/calculators/xmultipole2.h
--- old/ctp-1.5/src/libctp/calculators/xmultipole2.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/xmultipole2.h 2019-11-21 03:37:03.000000000 +0100
@@ -1963,14 +1963,14 @@
double x, y, z;
if (units == "bohr") {
- x = BOHR2NM * boost::lexical_cast<double>(split[1]);
- y = BOHR2NM * boost::lexical_cast<double>(split[2]);
- z = BOHR2NM * boost::lexical_cast<double>(split[3]);
+ x = BOHR2NM * stod(split[1]);
+ y = BOHR2NM * stod(split[2]);
+ z = BOHR2NM * stod(split[3]);
}
else if (units == "angstrom") {
- x = ANGSTROM2NM * boost::lexical_cast<double>(split[1]);
- y = ANGSTROM2NM * boost::lexical_cast<double>(split[2]);
- z = ANGSTROM2NM * boost::lexical_cast<double>(split[3]);
+ x = ANGSTROM2NM * stod(split[1]);
+ y = ANGSTROM2NM * stod(split[2]);
+ z = ANGSTROM2NM * stod(split[3]);
}
else {
throw std::runtime_error( "Unit " + units + " in file "
@@ -1991,7 +1991,7 @@
// 'P', dipole polarizability
else if ( split[0] == "P" && split.size() == 2 ) {
- P1 = 1e-3 * boost::lexical_cast<double>(split[1]);
+ P1 = 1e-3 * stod(split[1]);
thisPole->setPs(P1, state);
useDefaultPs = false;
}
@@ -2002,12 +2002,12 @@
int lineRank = int( sqrt(thisPole->getQs(state).size()) + 0.5 );
if (lineRank == 0) {
- Q0_total += boost::lexical_cast<double>(split[0]);
+ Q0_total += stod(split[0]);
}
for (unsigned int i = 0; i < split.size(); i++) {
- double qXYZ = boost::lexical_cast<double>(split[i]);
+ double qXYZ = stod(split[i]);
// Convert e*(a_0)^k to e*(nm)^k where k = rank
double BOHR2NM = 0.0529189379;
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/calculators/zmultipole.h new/ctp-1.5.1/src/libctp/calculators/zmultipole.h
--- old/ctp-1.5/src/libctp/calculators/zmultipole.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/calculators/zmultipole.h 2019-11-21 03:37:03.000000000 +0100
@@ -938,9 +938,9 @@
if (lineCount == 3) {
assert( split.size() == 4 );
- double ox = boost::lexical_cast<double>( split[1] );
- double oy = boost::lexical_cast<double>( split[2] );
- double oz = boost::lexical_cast<double>( split[3] );
+ double ox = stod( split[1] );
+ double oy = stod( split[2] );
+ double oz = stod( split[3] );
cube[0] = vec(ox, oy, oz);
}
@@ -967,12 +967,12 @@
if (lineCount == 4) {
assert( split.size() == 4 );
- Nx = boost::lexical_cast<double>( split[0] );
+ Nx = stod( split[0] );
ext2nm = (Nx > 0) ? BOHR2NM : ANGSTROM2NM;
Nx = (Nx >= 0) ? Nx : -Nx;
- double xx = ext2nm * boost::lexical_cast<double>( split[1] );
- double xy = ext2nm * boost::lexical_cast<double>( split[2] );
- double xz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double xx = ext2nm * stod( split[1] );
+ double xy = ext2nm * stod( split[2] );
+ double xz = ext2nm * stod( split[3] );
cube[2] = vec(xx, xy, xz);
}
@@ -980,12 +980,12 @@
if (lineCount == 5) {
assert( split.size() == 4 );
- Ny = boost::lexical_cast<double>( split[0] );
+ Ny = stod( split[0] );
ext2nm = (Ny > 0) ? BOHR2NM : ANGSTROM2NM;
Ny = (Ny >= 0) ? Ny : -Ny;
- double yx = ext2nm * boost::lexical_cast<double>( split[1] );
- double yy = ext2nm * boost::lexical_cast<double>( split[2] );
- double yz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double yx = ext2nm * stod( split[1] );
+ double yy = ext2nm * stod( split[2] );
+ double yz = ext2nm * stod( split[3] );
cube[3] = vec(yx, yy, yz);
}
@@ -993,12 +993,12 @@
if (lineCount == 6) {
assert( split.size() == 4 );
- Nz = boost::lexical_cast<double>( split[0] );
+ Nz = stod( split[0] );
ext2nm = (Nz > 0) ? BOHR2NM : ANGSTROM2NM;
Nz = (Nz >= 0) ? Nz : -Nz;
- double zx = ext2nm * boost::lexical_cast<double>( split[1] );
- double zy = ext2nm * boost::lexical_cast<double>( split[2] );
- double zz = ext2nm * boost::lexical_cast<double>( split[3] );
+ double zx = ext2nm * stod( split[1] );
+ double zy = ext2nm * stod( split[2] );
+ double zz = ext2nm * stod( split[3] );
cube[4] = vec(zx, zy, zz);
cube[1] = vec(Nx, Ny, Nz);
@@ -1322,9 +1322,9 @@
else {
- double x = CONVERT2NM * boost::lexical_cast<double>(split[0]);
- double y = CONVERT2NM * boost::lexical_cast<double>(split[1]);
- double z = CONVERT2NM * boost::lexical_cast<double>(split[2]);
+ double x = CONVERT2NM * stod(split[0]);
+ double y = CONVERT2NM * stod(split[1]);
+ double z = CONVERT2NM * stod(split[2]);
gridPoints.push_back(vec(x,y,z));
}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/qmpackages/gaussian.cc new/ctp-1.5.1/src/libctp/qmpackages/gaussian.cc
--- old/ctp-1.5/src/libctp/qmpackages/gaussian.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/qmpackages/gaussian.cc 2019-11-21 03:37:03.000000000 +0100
@@ -412,7 +412,7 @@
_level = boost::lexical_cast<int>(results.front());
boost::replace_first(results.back(), "D", "e");
- _energies[ _level ] = boost::lexical_cast<double>( results.back() );
+ _energies[ _level ] = stod( results.back() );
_levels++;
} else {
@@ -422,7 +422,7 @@
_coefficient.assign( _line, 0, 15 );
boost::trim( _coefficient );
boost::replace_first( _coefficient, "D", "e" );
- double coefficient = boost::lexical_cast<double>( _coefficient );
+ double coefficient = stod( _coefficient );
_coefficients[ _level ].push_back( coefficient );
_line.erase(0, 15);
}
@@ -579,7 +579,7 @@
/*std::string::size_type HFX_pos = _line.find("ScaHFX=");
if (HFX_pos != std::string::npos) {
boost::algorithm::split(results, _line, boost::is_any_of("\t "), boost::algorithm::token_compress_on);
- double _ScaHFX = boost::lexical_cast<double>(results.back()) ;
+ double _ScaHFX = stod(results.back()) ;
_orbitals->setScaHFX( _ScaHFX );
CTP_LOG(logDEBUG,*_pLog) << "DFT with " << _ScaHFX << " of HF exchange!" << flush ;
} */
@@ -728,11 +728,11 @@
string _coefficient = *iter;
boost::replace_first( _coefficient, "D", "e" );
- //cout << boost::lexical_cast<double>( _coefficient ) << endl;
+ //cout << stod( _coefficient ) << endl;
int _j_index = *_j_iter;
- //_overlap( _i_index-1 , _j_index-1 ) = boost::lexical_cast<double>( _coefficient );
- overlap( _i_index-1 , _j_index-1 ) = boost::lexical_cast<double>( _coefficient );
+ //_overlap( _i_index-1 , _j_index-1 ) = stod( _coefficient );
+ overlap( _i_index-1 , _j_index-1 ) = stod( _coefficient );
_j_iter++;
}
@@ -836,9 +836,9 @@
vector<string>::iterator it_atom;
it_atom = atom.end();
- double _z = boost::lexical_cast<double>( *(--it_atom) );
- double _y = boost::lexical_cast<double>( *(--it_atom) );
- double _x = boost::lexical_cast<double>( *(--it_atom) );
+ double _z = stod( *(--it_atom) );
+ double _y = stod( *(--it_atom) );
+ double _x = stod( *(--it_atom) );
if ( _has_atoms == false ) {
_orbitals->AddAtom( _atom_type, _x, _y, _z );
@@ -859,7 +859,7 @@
vector<string> energy;
boost::algorithm::split(block, *coord_block, boost::is_any_of("\\"), boost::algorithm::token_compress_on);
//boost::algorithm::split(energy, block[1], boost::is_any_of("="), boost::algorithm::token_compress_on);
- //_orbitals->setQMEnergy( _conv_Hrt_eV * boost::lexical_cast<double> ( energy[1] ) );
+ //_orbitals->setQMEnergy( _conv_Hrt_eV * stod( energy[1] ) );
map<string,string> properties;
vector<string>::iterator block_it;
for (block_it = block.begin(); block_it != block.end(); ++block_it) {
@@ -872,7 +872,7 @@
//_orbitals->_has_atoms = true;
//_orbitals->_has_qm_energy = true;
if (properties.count("HF") > 0) {
- double energy_hartree = boost::lexical_cast<double>(properties["HF"]);
+ double energy_hartree = stod(properties["HF"]);
//_orbitals->setQMEnergy(_has_qm_energy = true;
_orbitals-> setQMEnergy( _conv_Hrt_eV * energy_hartree );
CTP_LOG(logDEBUG, *_pLog) << "QM energy " << _orbitals->_qm_energy << flush;
@@ -884,7 +884,7 @@
// boost::algorithm::split(energy, block[1], boost::is_any_of("="), boost::algorithm::token_compress_on);
// cout << endl << energy[1] << endl;
-// _orbitals->_qm_energy = _conv_Hrt_eV * boost::lexical_cast<double> ( energy[1] );
+// _orbitals->_qm_energy = _conv_Hrt_eV * stod( energy[1] );
//
// CTP_LOG(logDEBUG, *_pLog) << "QM energy " << _orbitals->_qm_energy << flush;
// _has_qm_energy = true;
@@ -904,7 +904,7 @@
boost::algorithm::split(energy, block[1], boost::is_any_of("\t "), boost::algorithm::token_compress_on);
// _orbitals->_has_self_energy = true;
- _orbitals->setSelfEnergy( _conv_Hrt_eV * boost::lexical_cast<double> ( energy[1] ) );
+ _orbitals->setSelfEnergy( _conv_Hrt_eV * stod( energy[1] ) );
CTP_LOG(logDEBUG, *_pLog) << "Self energy = " << _orbitals->getSelfEnergy() << flush;
@@ -962,8 +962,8 @@
int _i_index = boost::lexical_cast<int>( _row[0] );
int _j_index = boost::lexical_cast<int>( _row[1] );
- //cout << "Vxc element [" << _i_index << ":" << _j_index << "] " << boost::lexical_cast<double>( _row[2] ) << endl;
- _vxc( _i_index-1 , _j_index-1 ) = boost::lexical_cast<double>( _row[2] );
+ //cout << "Vxc element [" << _i_index << ":" << _j_index << "] " << stod( _row[2] ) << endl;
+ _vxc( _i_index-1 , _j_index-1 ) = stod( _row[2] );
}
CTP_LOG(logDEBUG,*_pLog) << "Done parsing" << flush;
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/qmpackages/nwchem.cc new/ctp-1.5.1/src/libctp/qmpackages/nwchem.cc
--- old/ctp-1.5/src/libctp/qmpackages/nwchem.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/qmpackages/nwchem.cc 2019-11-21 03:37:03.000000000 +0100
@@ -671,7 +671,7 @@
boost::algorithm::split(results, _line, boost::is_any_of("="), boost::algorithm::token_compress_on);
string _energy = results.back();
boost::trim( _energy );
- _orbitals->setQMEnergy ( _conv_Hrt_eV * boost::lexical_cast<double>(_energy) );
+ _orbitals->setQMEnergy ( _conv_Hrt_eV * stod(_energy) );
CTP_LOG(logDEBUG, *_pLog) << "QM energy " << _orbitals->getQMEnergy() << flush;
_has_qm_energy = true;
// _orbitals->_has_qm_energy = true;
@@ -727,7 +727,7 @@
string _coefficient = *iter;
int _j_index = *_j_iter;
- _orbitals->_overlap( _i_index-1 , _j_index-1 ) = boost::lexical_cast<double>( _coefficient );
+ _orbitals->_overlap( _i_index-1 , _j_index-1 ) = stod( _coefficient );
_j_iter++;
}
@@ -829,9 +829,9 @@
//int atom_number = boost::lexical_cast< int >( _row.at(0) );
string _atom_type = _row.at(1);
- double _x = boost::lexical_cast<double>( _row.at(3) );
- double _y = boost::lexical_cast<double>( _row.at(4) );
- double _z = boost::lexical_cast<double>( _row.at(5) );
+ double _x = stod( _row.at(3) );
+ double _y = stod( _row.at(4) );
+ double _z = stod( _row.at(5) );
//if ( tools::globals::verbose ) cout << "... ... " << atom_id << " " << atom_type << " " << atom_charge << endl;
getline(_input_file, _line);
boost::trim( _line );
@@ -868,7 +868,7 @@
boost::algorithm::split(energy, block[1], boost::is_any_of("\t "), boost::algorithm::token_compress_on);
// _orbitals->_has_self_energy = true;
- _orbitals->setSelfEnergy( _conv_Hrt_eV * boost::lexical_cast<double> ( energy[1] ) );
+ _orbitals->setSelfEnergy( _conv_Hrt_eV * stod( energy[1] ) );
CTP_LOG(logDEBUG, *_pLog) << "Self energy " << _orbitals->getSelfEnergy() << flush;
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/qmpackages/turbomole.cc new/ctp-1.5.1/src/libctp/qmpackages/turbomole.cc
--- old/ctp-1.5/src/libctp/qmpackages/turbomole.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/qmpackages/turbomole.cc 2019-11-21 03:37:03.000000000 +0100
@@ -28,6 +28,7 @@
#include <boost/filesystem.hpp>
#include <stdio.h>
+#include <string>
#include <iomanip>
#include <sys/stat.h>
@@ -368,7 +369,7 @@
_level = boost::lexical_cast<int>(results.front());
boost::replace_first(results[3], "D", "e");
- _energies[ _level ] = boost::lexical_cast<double>( results[3] );
+ _energies[ _level ] = std::stod( results[3] );
_levels++;
} else if ( dollar_pos == std::string::npos ) {
@@ -378,7 +379,7 @@
_coefficient.assign( _line, 0, 20 );
boost::trim( _coefficient );
boost::replace_first( _coefficient, "D", "e" );
- double coefficient = boost::lexical_cast<double>( _coefficient );
+ double coefficient = std::stod( _coefficient );
_coefficients[ _level ].push_back( coefficient );
_line.erase(0, 20);
}
@@ -611,10 +612,10 @@
//cout << " " << *it << endl;
boost::trim( *it );
- double _coefficient = boost::lexical_cast<double>( *it );
+ double _coefficient = std::stod( *it );
//cout << _i_index << ":" << _j_index << ":" << _coefficient << endl;
- _orbitals->_overlap( _i_index , _j_index ) = boost::lexical_cast<double>( _coefficient );
+ _orbitals->_overlap( _i_index , _j_index ) = ( _coefficient );
_j_index++;
if ( _j_index > _i_index ) {
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/tools/pdb2map.h new/ctp-1.5.1/src/libctp/tools/pdb2map.h
--- old/ctp-1.5/src/libctp/tools/pdb2map.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/tools/pdb2map.h 2019-11-21 03:37:03.000000000 +0100
@@ -366,9 +366,9 @@
try
{
- _xd = boost::lexical_cast<double>(_x);
- _yd = boost::lexical_cast<double>(_y);
- _zd = boost::lexical_cast<double>(_z);
+ _xd = stod(_x);
+ _yd = stod(_y);
+ _zd = stod(_z);
_resNumInt = boost::lexical_cast<int>(_resNum);
}
catch(boost::bad_lexical_cast &)
@@ -519,9 +519,9 @@
_resNumInt = boost::lexical_cast<int>(_resNum);
//_atNumInt = boost::lexical_cast<int>(_atNum);
- _xd = boost::lexical_cast<double>(_x);
- _yd = boost::lexical_cast<double>(_y);
- _zd = boost::lexical_cast<double>(_z);
+ _xd = stod(_x);
+ _yd = stod(_y);
+ _zd = stod(_z);
}
catch (boost::bad_lexical_cast &)
{
@@ -635,7 +635,7 @@
// first line, number of atoms in XYZ
std::getline(_file, _line,'\n');
ba::trim(_line);
- //int numXYZatoms = boost::lexical_cast<double>(_line);
+ //int numXYZatoms = stod(_line);
}
catch(boost::bad_lexical_cast &)
{
@@ -665,9 +665,9 @@
// try transform xyz coords to double
double _xd(0),_yd(0),_zd(0);
try{
- _xd = boost::lexical_cast<double>(_x);
- _yd = boost::lexical_cast<double>(_y);
- _zd = boost::lexical_cast<double>(_z);
+ _xd = stod(_x);
+ _yd = stod(_y);
+ _zd = stod(_z);
}
catch(boost::bad_lexical_cast &)
{
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libctp/tools/pdb2top.h new/ctp-1.5.1/src/libctp/tools/pdb2top.h
--- old/ctp-1.5/src/libctp/tools/pdb2top.h 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libctp/tools/pdb2top.h 2019-11-21 03:37:03.000000000 +0100
@@ -308,9 +308,9 @@
try
{
- _xd = boost::lexical_cast<double>(_x);
- _yd = boost::lexical_cast<double>(_y);
- _zd = boost::lexical_cast<double>(_z);
+ _xd = stod(_x);
+ _yd = stod(_y);
+ _zd = stod(_z);
_resNumInt = boost::lexical_cast<int>(_resNum);
}
catch(boost::bad_lexical_cast &)
@@ -458,9 +458,9 @@
_resNumInt = boost::lexical_cast<int>(_resNum);
//_atNumInt = boost::lexical_cast<int>(_atNum);
- _xd = boost::lexical_cast<double>(_x);
- _yd = boost::lexical_cast<double>(_y);
- _zd = boost::lexical_cast<double>(_z);
+ _xd = stod(_x);
+ _yd = stod(_y);
+ _zd = stod(_z);
}
catch (boost::bad_lexical_cast &)
{
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/libmoo/fock.cc new/ctp-1.5.1/src/libmoo/fock.cc
--- old/ctp-1.5/src/libmoo/fock.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/libmoo/fock.cc 2019-11-21 03:37:03.000000000 +0100
@@ -87,12 +87,12 @@
vector<string>::iterator it= Mutok.begin();
for (; it != Mutok.end();++it)
{
- Mu.push_back(boost::lexical_cast<double>(*it));
+ Mu.push_back(stod(*it));
}
it= Betatok.begin();
for (; it != Betatok.end();++it)
{
- Beta.push_back(boost::lexical_cast<double>(*it));
+ Beta.push_back(stod(*it));
}
}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/ctp-1.5/src/tools/Md2QmEngine.cc new/ctp-1.5.1/src/tools/Md2QmEngine.cc
--- old/ctp-1.5/src/tools/Md2QmEngine.cc 2019-01-28 03:11:11.000000000 +0100
+++ new/ctp-1.5.1/src/tools/Md2QmEngine.cc 2019-11-21 03:37:03.000000000 +0100
@@ -231,7 +231,7 @@
}
// Mapping weight
- double weight = boost::lexical_cast<double>(*it_atom_weight);
+ double weight = stod(*it_atom_weight);
if (!hasQMPart && weight != 0) {
cout << "ERROR: "
<< "Atom " << md_atom_name << " in residue "
@@ -574,9 +574,9 @@
// Interesting information written here: e.g. 'C 0.000 0.000 0.000'
atomCount++;
string element = split[0];
- double x = boost::lexical_cast<double>( split[1] ) / 10.; //°A to NM
- double y = boost::lexical_cast<double>( split[2] ) / 10.;
- double z = boost::lexical_cast<double>( split[3] ) / 10.;
+ double x = stod( split[1] ) / 10.; //°A to NM
+ double y = stod( split[2] ) / 10.;
+ double z = stod( split[3] ) / 10.;
vec qmPos = vec(x,y,z);
pair<string, vec> qmTypePos(element, qmPos);
++++++ votca-ctp-manual-1.5.pdf -> votca-ctp-manual-1.5.1.pdf ++++++
(binary differes)
[View Less]
1
0
Hello community,
here is the log from the commit of package votca-csgapps for openSUSE:Factory checked in at 2019-11-30 10:37:08
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/votca-csgapps (Old)
and /work/SRC/openSUSE:Factory/.votca-csgapps.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-csgapps"
Sat Nov 30 10:37:08 2019 rev:11 rq:750180 version:1.5.1
Changes:
----…
[View More]----
--- /work/SRC/openSUSE:Factory/votca-csgapps/votca-csgapps.changes 2019-02-28 21:38:35.509636630 +0100
+++ /work/SRC/openSUSE:Factory/.votca-csgapps.new.26869/votca-csgapps.changes 2019-11-30 10:38:08.356166727 +0100
@@ -1,0 +2,7 @@
+Thu Nov 21 14:59:55 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Upgrade to 1.5.1
+ * build fixes for Centos7
+ * details: https://github.com/votca/csg/blob/stable/CHANGELOG.md
+
+-------------------------------------------------------------------
Old:
----
votca-csgapps-1.5.tar.gz
New:
----
votca-csgapps-1.5.1.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ votca-csgapps.spec ++++++
--- /var/tmp/diff_new_pack.2HkAAz/_old 2019-11-30 10:38:08.784166676 +0100
+++ /var/tmp/diff_new_pack.2HkAAz/_new 2019-11-30 10:38:08.784166676 +0100
@@ -17,7 +17,7 @@
#
Name: votca-csgapps
-Version: 1.5
+Version: 1.5.1
%define uversion %{version}
Release: 0
Summary: VOTCA coarse-graining engine applications
++++++ votca-csgapps-1.5.tar.gz -> votca-csgapps-1.5.1.tar.gz ++++++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csgapps-1.5/.gitlab-ci.yml new/csgapps-1.5.1/.gitlab-ci.yml
--- old/csgapps-1.5/.gitlab-ci.yml 2019-01-31 15:48:15.000000000 +0100
+++ new/csgapps-1.5.1/.gitlab-ci.yml 2019-11-21 03:37:01.000000000 +0100
@@ -11,6 +11,11 @@
DISTRO: "latest"
image: votca/buildenv:${DISTRO}
stage: build
+ artifacts:
+ paths:
+ - ${CI_PROJECT_DIR}/votca
+ when: always
+ dependencies: []
cache:
paths:
- ccache/
@@ -18,12 +23,14 @@
- ccache -z
- j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++))
- git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA}
- - cd $HOME
- - git clone --recursive https://github.com/votca/votca
+ - git clone https://github.com/votca/votca
- pushd votca
- - if [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
- git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]} && git submodule update --recursive --init;
+ - if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then
+ git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG};
+ elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
+ git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]};
fi
+ - git submodule update --recursive --init
- git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csgapps-1.5/CMakeLists.txt new/csgapps-1.5.1/CMakeLists.txt
--- old/csgapps-1.5/CMakeLists.txt 2019-01-31 15:48:15.000000000 +0100
+++ new/csgapps-1.5.1/CMakeLists.txt 2019-11-21 03:37:01.000000000 +0100
@@ -2,7 +2,7 @@
project(csgapps)
-set(PROJECT_VERSION "1.5")
+set(PROJECT_VERSION "1.5.1")
set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules)
@@ -40,7 +40,7 @@
#Find external packages
########################################################################
-find_package(Boost 1.57.0 REQUIRED COMPONENTS program_options )
+find_package(Boost 1.53.0 REQUIRED COMPONENTS program_options )
include_directories(${Boost_INCLUDE_DIRS})
set (BOOST_LIBRARIES ${Boost_PROGRAM_OPTIONS_LIBRARY})
@@ -58,10 +58,9 @@
foreach(DIR ${DIRS})
file(GLOB SRC ${DIR}/*.cc)
add_executable(${DIR} ${SRC})
- file(MAKE_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/${DIR}) #needed for out-of-source build
target_link_libraries(${DIR} ${VOTCA_CSG_LIBRARIES} ${VOTCA_TOOLS_LIBRARIES} ${BOOST_LIBRARIES})
install(TARGETS ${DIR} RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR})
- set_target_properties(${DIR} PROPERTIES OUTPUT_NAME ${DIR}/csg_${DIR})
+ set_target_properties(${DIR} PROPERTIES OUTPUT_NAME csg_${DIR} RUNTIME_OUTPUT_DIRECTORY ${DIR})
if(ENABLE_TESTING)
add_test(${DIR}Help ${DIR}/csg_${DIR} --help)
# run tests for tools and csg as well for coverage
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csgapps-1.5/part_dist/part_dist.cc new/csgapps-1.5.1/part_dist/part_dist.cc
--- old/csgapps-1.5/part_dist/part_dist.cc 2019-01-31 15:48:15.000000000 +0100
+++ new/csgapps-1.5.1/part_dist/part_dist.cc 2019-11-21 03:37:01.000000000 +0100
@@ -134,9 +134,9 @@
cout << "Wrong range format, use min:step:max\n";
return 1;
}
- min = boost::lexical_cast<double>(toks[0]);
- step = boost::lexical_cast<double>(toks[1]);
- max = boost::lexical_cast<double>(toks[2]);
+ min = stod(toks[0]);
+ step = stod(toks[1]);
+ max = stod(toks[2]);
// Calculate number of bins
n_bins = (int)((max-min)/(1.*step)+1);
[View Less]
1
0
Hello community,
here is the log from the commit of package votca-csg for openSUSE:Factory checked in at 2019-11-30 10:37:04
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/votca-csg (Old)
and /work/SRC/openSUSE:Factory/.votca-csg.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-csg"
Sat Nov 30 10:37:04 2019 rev:15 rq:750179 version:1.5.1
Changes:
--------
--- /work/…
[View More]SRC/openSUSE:Factory/votca-csg/votca-csg.changes 2019-10-04 11:22:41.556902728 +0200
+++ /work/SRC/openSUSE:Factory/.votca-csg.new.26869/votca-csg.changes 2019-11-30 10:38:05.116167116 +0100
@@ -1,0 +2,9 @@
+Thu Nov 21 14:56:55 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Upgrade to 1.5.1
+ * bug fixes for gcc-5
+ * some bugfixes for the lammps reader
+ * support dynamics box size in h5md
+ * fix build on CentOs7
+
+-------------------------------------------------------------------
Old:
----
votca-csg-1.5.tar.gz
votca-csg-manual-1.5.pdf
votca-csg-tutorials-1.5.tar.gz
New:
----
votca-csg-1.5.1.tar.gz
votca-csg-manual-1.5.1.pdf
votca-csg-tutorials-1.5.1.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ votca-csg.spec ++++++
--- /var/tmp/diff_new_pack.1g2Mmm/_old 2019-11-30 10:38:06.172166989 +0100
+++ /var/tmp/diff_new_pack.1g2Mmm/_new 2019-11-30 10:38:06.172166989 +0100
@@ -17,7 +17,7 @@
#
Name: votca-csg
-Version: 1.5
+Version: 1.5.1
%define uversion %{version}
%define sover 5
Release: 0
++++++ votca-csg-1.5.tar.gz -> votca-csg-1.5.1.tar.gz ++++++
++++ 1982 lines of diff (skipped)
++++++ votca-csg-manual-1.5.pdf -> votca-csg-manual-1.5.1.pdf ++++++
(binary differes)
++++++ votca-csg-tutorials-1.5.tar.gz -> votca-csg-tutorials-1.5.1.tar.gz ++++++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.5/.gitlab-ci.yml new/csg-tutorials-1.5.1/.gitlab-ci.yml
--- old/csg-tutorials-1.5/.gitlab-ci.yml 2019-01-31 15:48:16.000000000 +0100
+++ new/csg-tutorials-1.5.1/.gitlab-ci.yml 2019-11-21 03:37:01.000000000 +0100
@@ -11,6 +11,11 @@
DISTRO: "latest"
image: votca/buildenv:${DISTRO}
stage: build
+ artifacts:
+ paths:
+ - ${CI_PROJECT_DIR}/votca
+ when: always
+ dependencies: []
cache:
paths:
- ccache/
@@ -18,18 +23,20 @@
- ccache -z
- j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++))
- git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA}
- - cd $HOME
- - git clone --recursive https://github.com/votca/votca
+ - git clone https://github.com/votca/votca
- pushd votca
- - if [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
- git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]} && git submodule update --recursive --init;
+ - if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then
+ git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG};
+ elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
+ git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]};
fi
+ - git submodule update --recursive --init
- git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA}
- mkdir -p build
- pushd build
- - cmake .. -DENABLE_TESTING=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=ON
+ - cmake .. -DENABLE_TESTING=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DENABLE_REGRESSION_TESTING=${REGRESSION_TESTING:-ON}
-DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install}
- make -O -k -j${j} -l${j} VERBOSE=1
- make test CTEST_OUTPUT_ON_FAILURE=1
@@ -222,7 +229,9 @@
CXX: "g++"
CMAKE_BUILD_TYPE: "Release"
DISTRO: "fedora_gmx9999"
+ REGRESSION_TESTING: "OFF"
extends: .build
+ allow_failure: true
Release Clang GMX9999:
variables:
@@ -230,7 +239,9 @@
CXX: "clang++"
CMAKE_BUILD_TYPE: "Release"
DISTRO: "fedora_gmx9999"
+ REGRESSION_TESTING: "OFF"
extends: .build
+ allow_failure: true
Release GCC GMX9999D:
variables:
@@ -238,7 +249,9 @@
CXX: "g++"
CMAKE_BUILD_TYPE: "Release"
DISTRO: "fedora_gmx9999_d"
+ REGRESSION_TESTING: "OFF"
extends: .build
+ allow_failure: true
Release Clang GMX9999D:
variables:
@@ -246,4 +259,6 @@
CXX: "clang++"
CMAKE_BUILD_TYPE: "Release"
DISTRO: "fedora_gmx9999_d"
+ REGRESSION_TESTING: "OFF"
extends: .build
+ allow_failure: true
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/csg-tutorials-1.5/CMakeLists.txt new/csg-tutorials-1.5.1/CMakeLists.txt
--- old/csg-tutorials-1.5/CMakeLists.txt 2019-01-31 15:48:16.000000000 +0100
+++ new/csg-tutorials-1.5.1/CMakeLists.txt 2019-11-21 03:37:01.000000000 +0100
@@ -2,7 +2,7 @@
project(csg-tutorials)
-set(PROJECT_VERSION "1.5")
+set(PROJECT_VERSION "1.5.1")
# Cmake modules/macros are in a subdirectory to keep this file cleaner
set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/CMakeModules)
@@ -15,6 +15,7 @@
enable_testing()
find_package(LMP)
find_package(MDRUN_MPI)
+ find_package(MPI)
foreach(prog csg_call csg_inverse)
string(TOUPPER "${prog}" PROG)
find_program(${PROG} ${prog})
@@ -34,12 +35,16 @@
set(VOTCA_CSG_DEFAULTS ${VOTCA_SHARE}/xml/csg_defaults.xml)
endif()
set(NPROCS 4 CACHE STRING "# processes for testing")
+ if(DEFINED MPIEXEC_MAX_NUMPROCS AND NPROCS GREATER MPIEXEC_MAX_NUMPROCS)
+ message(WARNING "NPROCS(${NPROCS}) bigger than MPIEXEC_MAX_NUMPROCS(${MPIEXEC_MAX_NUMPROCS}) appending '--oversubscribe'")
+ set(MPIEXEC_PREFLAGS "${MPIEXEC_PREFLAGS} --oversubscribe")
+ endif()
file(GLOB_RECURSE FILES RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} settings.xml)
foreach(DIR ${FILES})
if(DIR MATCHES "(espresso|dlpoly|hoomd|atomistic|single_chain)")
continue()
endif()
- if(NOT MDRUN_MPI_FOUND AND DIR MATCHES "gromacs-(multi|remd)")
+ if(( NOT MDRUN_MPI_FOUND OR NOT MPIEXEC ) AND DIR MATCHES "gromacs-(multi|remd)")
continue()
endif()
if(NOT LMP_FOUND AND DIR MATCHES "lammps")
@@ -75,7 +80,9 @@
set(CSG_MDRUN_STEPS 2500)
endif()
if(DIR MATCHES "gromacs-(multi|remd)")
- set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}" "CSG_MDRUN_CMD=mpirun -np ${NPROCS} ${MDRUN_MPI_EXECUTABLE}")
+ set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT
+ "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}"
+ "CSG_MDRUN_CMD=${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${NPROCS} ${MPIEXEC_PREFLAGS} ${MDRUN_MPI_EXECUTABLE} ${MPIEXEC_POSTFLAGS}")
else()
set_property(TEST ${TESTNAME} PROPERTY ENVIRONMENT "CSG_RUNTEST=yes;VOTCASHARE=${VOTCA_SHARE};CSG_MDRUN_STEPS=${CSG_MDRUN_STEPS};PATH=${VOTCA_PATH}:$ENV{PATH};VOTCA_CSG_DEFAULTS=${VOTCA_CSG_DEFAULTS}")
endif()
[View Less]
1
0
Hello community,
here is the log from the commit of package votca-tools for openSUSE:Factory checked in at 2019-11-30 10:37:03
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Comparing /work/SRC/openSUSE:Factory/votca-tools (Old)
and /work/SRC/openSUSE:Factory/.votca-tools.new.26869 (New)
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca-tools"
Sat Nov 30 10:37:03 2019 rev:13 rq:750178 version:1.5.1
Changes:
--------
---…
[View More] /work/SRC/openSUSE:Factory/votca-tools/votca-tools.changes 2019-09-26 20:41:43.094464866 +0200
+++ /work/SRC/openSUSE:Factory/.votca-tools.new.26869/votca-tools.changes 2019-11-30 10:37:54.600168379 +0100
@@ -1,0 +2,8 @@
+Thu Nov 21 14:52:47 UTC 2019 - Christoph Junghans <junghans(a)votca.org>
+
+- Upgrade to 1.5.1
+ * switch votca_compare to python3
+ * more clear error message for xmlreader
+ * fix build on CentOs7
+
+-------------------------------------------------------------------
Old:
----
votca-tools-1.5.tar.gz
New:
----
votca-tools-1.5.1.tar.gz
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Other differences:
------------------
++++++ votca-tools.spec ++++++
--- /var/tmp/diff_new_pack.FRA9UH/_old 2019-11-30 10:37:55.592168261 +0100
+++ /var/tmp/diff_new_pack.FRA9UH/_new 2019-11-30 10:37:55.596168260 +0100
@@ -21,7 +21,7 @@
#
Name: votca-tools
-Version: 1.5
+Version: 1.5.1
%define uversion %{version}
%define sover 5
Release: 0
++++++ votca-tools-1.5.tar.gz -> votca-tools-1.5.1.tar.gz ++++++
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/.gitlab-ci.yml new/tools-1.5.1/.gitlab-ci.yml
--- old/tools-1.5/.gitlab-ci.yml 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/.gitlab-ci.yml 2019-11-21 03:36:58.000000000 +0100
@@ -11,6 +11,11 @@
DISTRO: "latest"
image: votca/buildenv:${DISTRO}
stage: build
+ artifacts:
+ paths:
+ - ${CI_PROJECT_DIR}/votca
+ when: always
+ dependencies: []
cache:
paths:
- ccache/
@@ -18,19 +23,21 @@
- ccache -z
- j="$(grep -c processor /proc/cpuinfo 2>/dev/null)" || j=0; ((j++))
- git branch commit_of_build_${CI_BUILD_ID} ${CI_COMMIT_SHA}
- - cd $HOME
- - git clone --recursive https://github.com/votca/votca
+ - git clone https://github.com/votca/votca
- pushd votca
- - if [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
- git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]} && git submodule update --recursive --init;
+ - if [[ ${CI_COMMIT_TAG} = v[12].[0-9]* ]]; then
+ git checkout -b ${CI_COMMIT_TAG} ${CI_COMMIT_TAG};
+ elif [[ ( ${CI_COMMIT_REF_NAME} =~ ^for/([^/]*)/.* || ${CI_COMMIT_REF_NAME} =~ ^(stable)$ ) && ${BASH_REMATCH[1]} != master ]]; then
+ git checkout -b ${BASH_REMATCH[1]} origin/${BASH_REMATCH[1]};
fi
+ - git submodule update --recursive --init
- git -C ${CI_PROJECT_NAME} fetch ${CI_PROJECT_DIR} commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_DIR} branch -d commit_of_build_${CI_BUILD_ID}
- git -C ${CI_PROJECT_NAME} checkout -f ${CI_COMMIT_SHA}
- mkdir -p build
- pushd build
- cmake .. -DENABLE_TESTING=ON -DBUILD_CSGAPPS=ON -DBUILD_XTP=ON -DBUILD_CTP=ON -DBUILD_CTP_MANUAL=ON -DBUILD_CSG_MANUAL=ON -DBUILD_XTP_MANUAL=ON -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
- -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install}
+ -DMODULE_BUILD=${MODULE_BUILD} ${MODULE_BUILD:+-DCMAKE_INSTALL_PREFIX=/home/votca/votca.install -DBUILD_XTP_MANUAL=OFF}
${MINIMAL:+-DCMAKE_DISABLE_FIND_PACKAGE_HDF5=ON -DWITH_FFTW=OFF -DWITH_GSL=OFF -DCMAKE_DISABLE_FIND_PACKAGE_GSL=ON
-DWITH_MKL=OFF -DCMAKE_DISABLE_FIND_PACKAGE_MKL=ON -DBUILD_MANPAGES=OFF -DWITH_GMX=OFF -DWITH_SQLITE3=OFF
-DCMAKE_DISABLE_FIND_PACKAGE_SQLITE3=ON -DBUILD_XTP=OFF -DBUILD_CTP=OFF}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/CHANGELOG.md new/tools-1.5.1/CHANGELOG.md
--- old/tools-1.5/CHANGELOG.md 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/CHANGELOG.md 2019-11-21 03:36:58.000000000 +0100
@@ -1,5 +1,11 @@
For more detailed information about the changes see the history of the [repository](https://github.com/votca/tools/commits/stable).
+## Version 1.5.1 (released 20.11.19)
+ * switch votca_compare to python3
+ * more clear error message for xmlreader
+ * fix build on CentOs7
+
+
## Version 1.5 _SuperVictor_ (released 31.01.19)
* enable gitlab CI
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/CMakeLists.txt new/tools-1.5.1/CMakeLists.txt
--- old/tools-1.5/CMakeLists.txt 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/CMakeLists.txt 2019-11-21 03:36:58.000000000 +0100
@@ -2,7 +2,7 @@
project(votca-tools)
-set(PROJECT_VERSION "1.5")
+set(PROJECT_VERSION "1.5.1")
string(REGEX REPLACE "^[1-9]+\\.([1-9]+).*$" "\\1" SOVERSION "${PROJECT_VERSION}")
if (NOT ${SOVERSION} MATCHES "[1-9]+")
message(FATAL_ERROR "Could not determind SOVERSION from ${PROJECT_VERSION}")
@@ -60,7 +60,7 @@
find_package(Threads REQUIRED)
set(THREAD_LIBRARIES ${CMAKE_THREAD_LIBS_INIT})
-find_package(Boost 1.57.0 REQUIRED COMPONENTS program_options filesystem system )
+find_package(Boost 1.53.0 REQUIRED COMPONENTS program_options filesystem system )
include_directories(${Boost_INCLUDE_DIRS})
set (BOOST_CFLAGS_PKG "-I${Boost_INCLUDE_DIRS}")
set(BOOST_LIBS_PKG "-L${Boost_LIBRARY_DIRS}")
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/include/votca/tools/graph.h new/tools-1.5.1/include/votca/tools/graph.h
--- old/tools-1.5/include/votca/tools/graph.h 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/include/votca/tools/graph.h 2019-11-21 03:36:58.000000000 +0100
@@ -1,5 +1,5 @@
/*
- * Copyright 2009-2018 The VOTCA Development Team
+ * Copyright 2009-2019 The VOTCA Development Team
* (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License")
@@ -32,7 +32,7 @@
namespace tools {
/**
- * \brief A graph object that contains the graph nodes and the edges describing
+ * \brief A graph object that contains the graph nodes and the edges describing
* the bonds between nodes.
*
*/
@@ -124,8 +124,8 @@
*
* sort(vec_pr_gn.begin(),vec_pr_gn.end(),cmpVertNodePair);
*/
-bool cmpVertNodePair(std::pair<int, GraphNode> gn1_pr,
- std::pair<int, GraphNode> gn2_pr);
-}
-}
+bool cmpVertNodePair(const std::pair<int, GraphNode>& gn1_pr,
+ const std::pair<int, GraphNode>& gn2_pr);
+} // namespace tools
+} // namespace votca
#endif // _VOTCA_TOOLS_GRAPH_H
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/include/votca/tools/property.h new/tools-1.5.1/include/votca/tools/property.h
--- old/tools-1.5/include/votca/tools/property.h 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/include/votca/tools/property.h 2019-11-21 03:36:58.000000000 +0100
@@ -1,5 +1,5 @@
/*
- * Copyright 2009-2018 The VOTCA Development Team (http://www.votca.org)
+ * Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
@@ -375,6 +375,7 @@
if (it != _attributes.end()) {
return lexical_cast<T>((*it).second);
} else {
+ std::cerr << *this << std::endl;
throw std::runtime_error("attribute " + (*it).first + " not found\n");
}
}
@@ -389,6 +390,7 @@
if (it != _attributes.end()) {
return lexical_cast<T>(_attributes[attribute], "wrong type in attribute " + attribute + " of element " + _path + "." + _name + "\n");
} else {
+ std::cerr << *this << std::endl;
throw std::runtime_error("attribute " + attribute + " not found\n");
}
}
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/include/votca/tools/vec.h new/tools-1.5.1/include/votca/tools/vec.h
--- old/tools-1.5/include/votca/tools/vec.h 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/include/votca/tools/vec.h 2019-11-21 03:36:58.000000000 +0100
@@ -171,9 +171,9 @@
throw std::runtime_error("\n\n\t error, string to vec, size!=3\n\n");
}
try {
- _x = boost::lexical_cast<double>(values[0]);
- _y = boost::lexical_cast<double>(values[1]);
- _z = boost::lexical_cast<double>(values[2]);
+ _x = std::stod(values[0]);
+ _y = std::stod(values[1]);
+ _z = std::stod(values[2]);
}
catch(const boost::bad_lexical_cast& e)
{
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/scripts/votca_compare.in new/tools-1.5.1/scripts/votca_compare.in
--- old/tools-1.5/scripts/votca_compare.in 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/scripts/votca_compare.in 2019-11-21 03:36:58.000000000 +0100
@@ -1,4 +1,4 @@
-#! /usr/bin/env python
+#! /usr/bin/env python3
#
# Copyright 2009-2018 The VOTCA Development Team (http://www.votca.org)
#
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/src/libtools/graph.cc new/tools-1.5.1/src/libtools/graph.cc
--- old/tools-1.5/src/libtools/graph.cc 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/src/libtools/graph.cc 2019-11-21 03:36:58.000000000 +0100
@@ -1,5 +1,5 @@
/*
- * Copyright 2009-2018 The VOTCA Development Team
+ * Copyright 2009-2019 The VOTCA Development Team
* (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License")
@@ -83,18 +83,18 @@
return missing;
}
-vector<pair<int,GraphNode>> Graph::getNeighNodes(int vert){
+vector<pair<int, GraphNode>> Graph::getNeighNodes(int vert) {
auto neigh_vertices = getNeighVertices(vert);
- vector<pair<int,GraphNode>> neigh_vertices_pr;
- for(auto neigh_vert : neigh_vertices){
- auto node_pr = pair<int,GraphNode>(neigh_vert,nodes_[neigh_vert]);
+ vector<pair<int, GraphNode>> neigh_vertices_pr;
+ for (auto neigh_vert : neigh_vertices) {
+ auto node_pr = pair<int, GraphNode>(neigh_vert, nodes_[neigh_vert]);
neigh_vertices_pr.push_back(node_pr);
}
return neigh_vertices_pr;
}
-void Graph::setNode(int vert, GraphNode gn){
- if(nodes_.count(vert)){
+void Graph::setNode(int vert, GraphNode gn) {
+ if (nodes_.count(vert)) {
nodes_[vert] = gn;
} else {
string errMsg = "Vertex does not exist within graph cannot, reset node";
@@ -107,9 +107,9 @@
setNode(p_gn.first, p_gn.second);
}
-GraphNode Graph::getNode(int vert) {
+GraphNode Graph::getNode(int vert) {
assert(nodes_.count(vert));
- return nodes_[vert];
+ return nodes_[vert];
}
vector<pair<int, GraphNode>> Graph::getNodes(void) {
@@ -140,9 +140,10 @@
return os;
}
-bool cmpVertNodePair(pair<int, GraphNode> gn1_pr, pair<int, GraphNode> gn2_pr) {
+bool cmpVertNodePair(const pair<int, GraphNode>& gn1_pr,
+ const pair<int, GraphNode>& gn2_pr) {
string str1_Id = gn1_pr.second.getStringId();
return str1_Id.compare(gn2_pr.second.getStringId()) < 0;
}
-}
-}
+} // namespace tools
+} // namespace votca
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/src/libtools/table.cc new/tools-1.5.1/src/libtools/table.cc
--- old/tools-1.5/src/libtools/table.cc 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/src/libtools/table.cc 2019-11-21 03:36:58.000000000 +0100
@@ -121,14 +121,14 @@
bHasN = true;
} else if (tokens.size() == 2) {
// it's the first data line with 2 or 3 entries
- t.push_back(lexical_cast<double>(tokens[0], conversion_error),
- lexical_cast<double>(tokens[1], conversion_error), 'i');
+ t.push_back(std::stod(tokens[0]),
+ std::stod(tokens[1]), 'i');
} else if (tokens.size() > 2) {
char flag = 'i';
string sflag = tokens.back();
if (sflag == "i" || sflag == "o" || sflag == "u") flag = sflag.c_str()[0];
- t.push_back(lexical_cast<double>(tokens[0], conversion_error),
- lexical_cast<double>(tokens[1], conversion_error), flag);
+ t.push_back(std::stod(tokens[0]),
+ std::stod(tokens[1]), flag);
} else {
throw runtime_error("error, wrong table format");
}
@@ -154,14 +154,14 @@
// it's a data line
if (tokens.size() == 2) {
- t.push_back(lexical_cast<double>(tokens[0], conversion_error),
- lexical_cast<double>(tokens[1], conversion_error), 'i');
+ t.push_back(std::stod(tokens[0]),
+ std::stod(tokens[1]), 'i');
} else if (tokens.size() > 2) {
char flag = 'i';
if (tokens[2] == "i" || tokens[2] == "o" || tokens[2] == "u")
flag = tokens[2].c_str()[0];
- t.push_back(lexical_cast<double>(tokens[0], conversion_error),
- lexical_cast<double>(tokens[1], conversion_error), flag);
+ t.push_back(std::stod(tokens[0]),
+ std::stod(tokens[1]), flag);
}else{
// otherwise error
throw runtime_error("error, wrong table format");
diff -urN '--exclude=CVS' '--exclude=.cvsignore' '--exclude=.svn' '--exclude=.svnignore' old/tools-1.5/src/tests/CMakeLists.txt new/tools-1.5.1/src/tests/CMakeLists.txt
--- old/tools-1.5/src/tests/CMakeLists.txt 2019-01-31 15:48:11.000000000 +0100
+++ new/tools-1.5.1/src/tests/CMakeLists.txt 2019-11-21 03:36:58.000000000 +0100
@@ -1,4 +1,4 @@
-find_package(Boost 1.57.0 REQUIRED COMPONENTS unit_test_framework)
+find_package(Boost 1.53.0 REQUIRED COMPONENTS unit_test_framework)
# Each test listed in Alphabetical order
foreach(PROG
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