[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2017-02-06 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Susi Lehtola changed: What|Removed |Added Blocks|505154 (FE-SCITECH) | Referenced Bugs: https://bugzilla.r

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-10-08 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #35 from Fedora Update System --- qcint-1.8.6-1.fc25 has been pushed to the Fedora 25 stable repository. If problems still persist, please make note of it in this bug report. -- You are receiving this mail because: You are on the

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-10-08 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #34 from Fedora Update System --- qcint-1.8.6-1.fc23 has been pushed to the Fedora 23 stable repository. If problems still persist, please make note of it in this bug report. -- You are receiving this mail because: You are on the

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-10-06 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #33 from Fedora Update System --- qcint-1.8.6-1.fc24 has been pushed to the Fedora 24 stable repository. If problems still persist, please make note of it in this bug report. -- You are receiving this mail because: You are on the

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-10-06 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Fedora Update System changed: What|Removed |Added Status|ON_QA |CLOSED Resolution|---

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-21 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #31 from Fedora Update System --- qcint-1.8.6-1.fc24 has been pushed to the Fedora 24 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testing f

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-21 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #30 from Fedora Update System --- qcint-1.8.6-1.fc23 has been pushed to the Fedora 23 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testing f

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-21 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #29 from Fedora Update System --- qcint-1.8.6-1.el7 has been pushed to the Fedora EPEL 7 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testin

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-20 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Fedora Update System changed: What|Removed |Added Status|MODIFIED|ON_QA --- Comment #28 from Fed

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #27 from Fedora Update System --- qcint-1.8.6-1.el7 has been submitted as an update to Fedora EPEL 7. https://bodhi.fedoraproject.org/updates/FEDORA-EPEL-2016-1227b5a8c2 -- You are receiving this mail because: You are on the CC l

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #26 from Fedora Update System --- qcint-1.8.6-1.fc23 has been submitted as an update to Fedora 23. https://bodhi.fedoraproject.org/updates/FEDORA-2016-74d77b7c2f -- You are receiving this mail because: You are on the CC list for

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #25 from Fedora Update System --- qcint-1.8.6-1.fc24 has been submitted as an update to Fedora 24. https://bodhi.fedoraproject.org/updates/FEDORA-2016-6a2888ecbe -- You are receiving this mail because: You are on the CC list for

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Fedora Update System changed: What|Removed |Added Status|ASSIGNED|MODIFIED -- You are receiving

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #24 from Fedora Update System --- qcint-1.8.6-1.fc25 has been submitted as an update to Fedora 25. https://bodhi.fedoraproject.org/updates/FEDORA-2016-1fe321e1eb -- You are receiving this mail because: You are on the CC list for

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #23 from Jon Ciesla --- Package request has been approved: https://admin.fedoraproject.org/pkgdb/package/rpms/qcint -- You are receiving this mail because: You are on the CC list for the bug. You are always notified about changes

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #22 from Susi Lehtola --- (In reply to Matt Chan from comment #21) > (In reply to Susi Lehtola from comment #19) > > (In reply to Susi Lehtola from comment #18) > > > Looks good. The review of qcint has been > > > > > > APPROVED >

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #21 from Matt Chan --- (In reply to Susi Lehtola from comment #19) > (In reply to Susi Lehtola from comment #18) > > Looks good. The review of qcint has been > > > > APPROVED > > ... on the condition you fix the License tag as wa

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #20 from Susi Lehtola --- (In reply to Matt Chan from comment #17) > - Qiming changed the version to 1.8.6. I think there was some dependency > within PySCF that necessitated it. The two will be in sync eventually. Aha. Well, that

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #19 from Susi Lehtola --- (In reply to Susi Lehtola from comment #18) > Looks good. The review of qcint has been > > APPROVED ... on the condition you fix the License tag as was mentioned in Comment #3. -- You are receiving thi

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-19 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Susi Lehtola changed: What|Removed |Added Flags|fedora-review? |fedora-review+ --- Comment #18 from Su

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-09-16 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #17 from Matt Chan --- Okay, so between all the delays from my end and Qiming's end, I finally have an updated build. Spec URL: http://copr-dist-git.fedorainfracloud.org/cgit/talcite/qcint/qcint.git/tree/qcint.spec SRPM URL: htt

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-26 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #16 from Susi Lehtola --- (In reply to Dave Love from comment #15) > (In reply to Susi Lehtola from comment #14) > > Yeah, so the default ATLAS package on x86_64 is non-SSE3, but there's a SSE3 > > variant available, as well. > >

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-26 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #15 from Dave Love --- (In reply to Susi Lehtola from comment #14) > Yeah, so the default ATLAS package on x86_64 is non-SSE3, but there's a SSE3 > variant available, as well. Yes, and it's the ld.so.conf mechanism I think is rele

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-25 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #14 from Susi Lehtola --- Yeah, so the default ATLAS package on x86_64 is non-SSE3, but there's a SSE3 variant available, as well. Packaging both within the same srpm is not allowed per the packaging guidelines, as there needs to

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-25 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #13 from Dave Love --- (In reply to Susi Lehtola from comment #12) > What do you mean? Is ATLAS compiled as SSE3-only on x86_64? # repoquery atlas-\* atlas-0:3.8.4-2.el6.i686 atlas-0:3.8.4-2.el6.x86_64 atlas-3dnow-0:3.8.4-2.el6.i

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #12 from Susi Lehtola --- (In reply to Dave Love from comment #11) > A precedent for something SSE3-specific is ATLAS. I'd have thought this > should > be treated the same way (and probably there should be policy defined for this

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-24 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Dave Love changed: What|Removed |Added CC||d.l...@liverpool.ac.uk --- Comment #11 fr

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-23 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #10 from Susi Lehtola --- Ping Matt, any progress? PS. How're you coming along with pyscf? I'd like to see it in the distro. -- You are receiving this mail because: You are on the CC list for the bug. You are always notified abo

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-17 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #9 from Susi Lehtola --- (In reply to Matt Chan from comment #8) > (In reply to Susi Lehtola from comment #7) > > But that's not possible: you're using a version 2.8.6 tarball, while you > > specify version 1.8.6 in the specfile (a

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-16 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #8 from Matt Chan --- (In reply to Susi Lehtola from comment #7) > But that's not possible: you're using a version 2.8.6 tarball, while you > specify version 1.8.6 in the specfile (and work around the discrepancy > between your num

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-13 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #7 from Susi Lehtola --- (In reply to Matt Chan from comment #5) > The version number on Qcint is correct according to Qiming. Right now qcint > and libcint have differing version numbers, but he's planning on > synchronizing them

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-13 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #6 from Igor Gnatenko --- (In reply to Matt Chan from comment #5) > Sorry, I just got back from vacation. Still working through a backlog. I'll > get the corrected specfiles to you on Monday? > > The version number on Qcint is cor

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-13 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Matt Chan changed: What|Removed |Added Flags|needinfo?(talc...@gmail.com | |)

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-13 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Susi Lehtola changed: What|Removed |Added Flags||needinfo?(talc...@gmail.com

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-05 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #3 from Susi Lehtola --- Package Review == Legend: [x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated = MUST items = C/C++: [-]: Provides: bundled(gnulib) in place as required. Note: Sourc

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-05 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #2 from Susi Lehtola --- Whoops, wrong bug. qcint review still to follow. Note that your version of qcint is wrong in the specfile. It should be 2.8.6, not 1.8.6. Then you can also get rid of the -n qcint-2.8.6 in %setup. -- You

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-05 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 --- Comment #1 from Susi Lehtola --- Package Review == Legend: [x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated = MUST items = C/C++: [-]: Provides: bundled(gnulib) in place as required. Note: Sourc

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-08-05 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Susi Lehtola changed: What|Removed |Added Status|NEW |ASSIGNED CC|

[Bug 1357724] Review Request: qcint - general GTO integrals for quantum chemistry

2016-07-18 Thread bugzilla
https://bugzilla.redhat.com/show_bug.cgi?id=1357724 Matt Chan changed: What|Removed |Added Blocks||505154 (FE-SCITECH) Referenced Bugs: ht