Bug#897329: Fix #897329

2018-05-02 Thread Sebastian Wouters
Hi Francois, Thanks for notifying [1]. It crept in with the addition of the cmake config files to close #887104. This change [2] should fix the bug. Best wishes, Sebastian [1] https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=897329 [2]

Bug#889859: [Debichem-devel] Bug#889859: chemps2: FTBFS on mipsel: test5 segfaults

2018-02-09 Thread Sebastian Wouters
Hi Michael, > Yeah, unfortunately, mipsel is not the most stable architecture. I am > not sure what we should do here, we can either agressively retry to > build on mipsel until all tests pass or alternatively ignore test > failures. I don't think it would be easy to just ignore them on mipsel,

Bug#889859: chemps2: FTBFS on mipsel: test5 segfaults

2018-02-09 Thread Sebastian Wouters
Dear Aaron, Of the three build logs [1]: First one: Test project /<>/obj-mipsel-linux-gnu Start 3: test3 1/3 Test #3: test3 Passed8.10 sec Start 5: test5 2/3 Test #5: test5 ***Exception: SegFault 9.37 sec Start 8: test8

Bug#889859: chemps2: FTBFS on mipsel: test5 segfaults

2018-02-09 Thread Sebastian Wouters
Dear Aaron, To be honest, I haven't got the fogiest. On other architectures, it works fine. And test5 hasn't been individually changed since v1.8 was released (24 Aug 2016): https://github.com/SebWouters/CheMPS2/commits/master/tests/test5.cpp.in https://github.com/SebWouters/CheMPS2/releases

Bug#887104: Regarding chemps2 and psi4

2018-01-17 Thread Sebastian Wouters
Hi Michael and Lori, Lori: First of all, thank you for the clarification below. Hi Sebastian and Michael, > > Sorry for the confusion that TargetHDF5 files have caused. The short > answer is that TargetHDF5 is just the results of normal HDF5 detection > wrapped in a target and written to a

Bug#887104: chemps2: bug fix #887104 and transition to python3

2018-01-15 Thread Sebastian Wouters
Hi Michael and Lori, > I recall that the folder containing CheMPS2Conf*.cmake also contains an > > HDF5 cmake file, if I'm not mistaken. > > Ah right. > > > Perhaps augmenting the file debian/libchemps2-dev.install with this HDF5 > > cmake file helps? > > Yeah, I've changed the line in

Bug#887104: chemps2: bug fix #887104 and transition to python3

2018-01-15 Thread Sebastian Wouters
Hi Michael, I recall that the folder containing CheMPS2Conf*.cmake also contains an HDF5 cmake file, if I'm not mistaken. Perhaps augmenting the file debian/libchemps2-dev.install with this HDF5 cmake file helps? I'm currently in office and cannot amend and push changes to the alioth git repo,

Bug#887104: chemps2: bug fix #887104 and transition to python3

2018-01-14 Thread Sebastian Wouters
Dear all, Please find the required updates at: https://anonscm.debian.org/git/debichem/packages/chemps2.git/ chemps2 (1.8.5-1) UNRELEASED; urgency=medium * Changes upstream 1.8.5 * Install config files with libchemps2-dev (Closes: #887104) * Install target files with libchemps2-dev *

Bug#841954: HDF5 1.10

2016-10-26 Thread Sebastian Wouters
Hi Graham, The alioth git repo should be fine now [1]. I've also adopted your suggested style guidelines [2]. Best wishes, Sebastian [1] https://anonscm.debian.org/cgit/debichem/packages/chemps2.git/ [2] https://debian-science.alioth.debian.org/debian-science-poli cy.html#idm45916841498176

Bug#841954: HDF5 1.10

2016-10-25 Thread Sebastian Wouters
Hi Graham, The new chemps2 version is released: https://github.com/SebWouters/CheMPS2/releases/tag/v1.8.1 I'll try do to the debian repo tomorrow. I have to reinstall a couple of things to test. If you want to merge the new release earlier based on the github release, that's also fine with me.

Bug#841954: HDF5 1.10

2016-10-25 Thread Sebastian Wouters
Hi Graham, Seb, are there any other changes you want in this release? > I'll add a new tag to the chemps2 head on github this evening (or sooner) and will notify you. Best wishes, Sebastian

Bug#841954: HDF5 1.10

2016-10-24 Thread Sebastian Wouters
Hi Gilles, I've added your changes to the git repo: https://anonscm.debian.org/cgit/debichem/packages/chemps2.git I'm fine with NMU. Best wishes, Seb

Bug#808312: Fix overwrite chemps2.1.gz

2016-09-08 Thread Sebastian Wouters
Hi Andreas, The bug is hopefully fixed with https://anonscm.debian.org/cgit/debichem/packages/chemps2.git/commit/?id=c787f951661b39221db198de19577b88ac1629e1 I'll ask Graham or Michael to upload. Best wishes, Sebastian

Bug#808312: chemps2: upgrade fail

2015-12-26 Thread Sebastian Wouters
> I've tested the upgrade from 1.6-1 with a package built in my PPA > including the above changes and there were no errors. > > I believe the version number in breaks and replaces should be 1.6-2~, > in case backported versions exist. > > Breaks: libchemps2-1 (<< 1.6-2~) > Replaces: libchemps2-1

Bug#808312: chemps2: upgrade fail

2015-12-23 Thread Sebastian Wouters
Hi all, I hope this fixes bug #808312: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/commit/?id=6c7ed80faddc63765bc8e995c7fce14cfff81210 ? The only thing what happened in 1.6-2 is a move of the manpage from the library (libchemps2-1) to the binary package (chemps2). Best wishes,

Bug#807189: Closing bug chain

2015-12-15 Thread Sebastian Wouters
Hi Bas, Graham, Michael, and Giacomo, The bug fix is available at http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/commit/?id=0a34f4f9d9289ab46090233470d4de690f843d45 for a few days already. Would it be possible to recompile and upload the new version to close the bug? Thanks!

Bug#807189: chemps2: Update build dependencies for GSL 2.x

2015-12-10 Thread Sebastian Wouters
Dear Bas, Your patch has been merged in http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/commit/?id=0a34f4f9d9289ab46090233470d4de690f843d45 Best wishes, Sebastian

Bug#795789: [Debichem-devel] Bug#796065: chemps2: deprecation of python-support

2015-08-26 Thread Sebastian Wouters
Hi Graham and Daniel, I uploaded chemps2 1.5-2 some days agao but didn't update the debian/1.5-2 tag to refer to the correct commit. Unfortunately, I only saw Daniel's updated watch file (bug #795789) after doing the upload. Are you familiar with Lintian [1]? While doing test builds of

Bug#796065: chemps2: deprecation of python-support

2015-08-19 Thread Sebastian Wouters
Hi Luca, Thanks for the heads-up! It's fixed in the current git head: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/commit/?id=1766d59d4403cea6360989643322e3b0d99bf613 Best wishes, Sebastian

Bug#795138: #795138 - chemps2: FTBFS: invalid dates in changelog

2015-08-11 Thread Sebastian Wouters
Fixed at current HEAD: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/ Best wishes, Seb

Bug#792051: [Debichem-devel] Bug#792051: chemps2: FTBFS on kFreeBSD: BLAS API not found.

2015-07-12 Thread Sebastian Wouters
Hi Graham, Thank you for your comments. I've adapted them in the git repo on alioth. Best wishes, Sebastian

Bug#792047: chemps2: FTBFS on i386: points sphinx at wrong directory

2015-07-11 Thread Sebastian Wouters
Hi Michael and Aaron, I committed what you asked for to the git: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/tree/debian/rules Only the build directory obj-${...} is changed to obj-${DEB_HOST_GNU_TYPE}, as I gather from e.g.

Bug#792051: chemps2: FTBFS on kFreeBSD: BLAS API not found.

2015-07-11 Thread Sebastian Wouters
the bug closures in the changelog: http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/tree/debian/changelog ) Best wishes, Sebastian 2015-07-11 21:23 GMT-04:00 Aaron M. Ucko u...@debian.org: Sebastian Wouters sebastianwout...@gmail.com writes: Hi Aaron, Hi! Thanks for the quick

Bug#792051: chemps2: FTBFS on kFreeBSD: BLAS API not found.

2015-07-11 Thread Sebastian Wouters
Hi Aaron, I can add the dependency, but is there an easy way to test beforehand whether it will help? The library itself should in principle be sufficient as the c-functions are declared external in the chemps2 source code itself:

Bug#771112: ITP: chemps2 -- spin-adapted DMRG for ab initio quantum chemistry

2015-06-14 Thread Sebastian Wouters
Git repository migrated to http://anonscm.debian.org/cgit/debichem/packages/chemps2.git/ in response to the questions and remarks in http://lists.alioth.debian.org/pipermail/debichem-devel/2015-June/005954.html http://lists.alioth.debian.org/pipermail/debichem-devel/2015-June/005963.html

Bug#771112: Fwd: ITP: chemps2 -- spin-adapted DMRG for ab initio quantum chemistry

2015-05-04 Thread Sebastian Wouters
: Sebastian Wouters sebastianwout...@gmail.com * Package name: chemps2 Version : 1.5 Upstream Author : Sebastian Wouters sebastianwout...@gmail.com * URL : https://github.com/SebWouters/CheMPS2 * License : GPLv2 Programming Lang: C++, Python Description

Bug#771112: RFS answered by the debichem packaging team

2014-11-29 Thread Sebastian Wouters
Dear mentors, Michael Banck of the debichem packaging team is currently helping. I have opted to remove libchemps2 from mentors.debian.net, as it is undergoing changes at the moment. Progress can be tracked at http://anonscm.debian.org/cgit/debichem/packages/libchemps2.git

Bug#771372: RFS: libchemps2/1.4-1 [ITP] -- spin-adapted DMRG for ab initio quantum chemistry

2014-11-28 Thread Sebastian Wouters
Package: sponsorship-requests Severity: wishlist Dear mentors, I am looking for a sponsor for my package libchemps2 * Package name: libchemps2 Version : 1.4-1 Upstream Author : Sebastian Wouters sebastianwout...@gmail.com * URL : https://github.com/SebWouters

Bug#771112: ITP: chemps2 -- spin-adapted DMRG for ab initio quantum chemistry

2014-11-26 Thread Sebastian Wouters
Package: wnpp Severity: wishlist Owner: Sebastian Wouters sebastianwout...@gmail.com * Package name: chemps2 Version : 1.4 Upstream Author : Sebastian Wouters sebastianwout...@gmail.com * URL : https://github.com/SebWouters/CheMPS2 * License : GPLv2