Your message dated Wed, 06 Jul 2016 10:05:53 +0000
with message-id <[email protected]>
and subject line Bug#827769: fixed in psi4 1:1.0~rc-3
has caused the Debian Bug report #827769,
regarding psi4: FTBFS in Ubuntu
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

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-- 
827769: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=827769
Debian Bug Tracking System
Contact [email protected] with problems
--- Begin Message ---
Source: psi4
Version: 1:1.0~rc-1
Severity: wishlist
Tags: patch

Hi Maintainer

Since 1:1.0~rc-1, psi4 has FTBFS on all architectures in Ubuntu.
I found the following difference in the build logs.

Debian:
-- Found CHEMPS2: /usr/lib/x86_64-linux-gnu/libchemps2.so
-- Looking for MKL_Free_Buffers
-- Looking for MKL_Free_Buffers - not found
-- Looking for include file mm_malloc.h
-- Looking for include file mm_malloc.h - found
-- Documentation targets available: sphinxman (html), sphinxmini
(quick html), sphinxpdf (LaTeX --> PDF)

Ubuntu:
-- Found CHEMPS2: /usr/lib/x86_64-linux-gnu/libchemps2.so
-- Looking for MKL_Free_Buffers
-- Looking for MKL_Free_Buffers - not found
-- Looking for include file mm_malloc.h
-- Looking for include file mm_malloc.h - found
-- DKH in LibMints ENABLED
-- GDMA is ENABLED
-- PCMSolver not found. The pre-packaged version will be built.
CMake Error at /usr/share/cmake-3.5/Modules/ExternalProject.cmake:1757
(message):
  error: could not find git for clone of interface_pcmsolver
Call Stack (most recent call first):
  /usr/share/cmake-3.5/Modules/ExternalProject.cmake:2459
(_ep_add_download_command)
  cmake/ConfigPCMSolver.cmake:61 (ExternalProject_Add)
  CMakeLists.txt:253 (include)

This corresponds with the following lines in CMakeLists.txt:
include(CMakeDependentOption)
CMAKE_DEPENDENT_OPTION(
       ENABLE_DKH            "Enable DKH in libmints"                      ON
                             "CMAKE_Fortran_COMPILER"                      OFF)
CMAKE_DEPENDENT_OPTION(
       ENABLE_PCMSOLVER      "Enable PCMSolver library"                    ON
                             "CMAKE_Fortran_COMPILER"                      OFF)
CMAKE_DEPENDENT_OPTION(
       ENABLE_LIBERD         "Enable use of LibERD instead of LibInts"     OFF
                             "CMAKE_Fortran_COMPILER"                      OFF)
CMAKE_DEPENDENT_OPTION(
       ENABLE_GDMA           "Enable use of Stone's GDMA multipole code"   ON
                             "CMAKE_Fortran_COMPILER"                      OFF)
option(ENABLE_AMBIT          "Enable Ambit interface"                      OFF)

For some reason, the build in Ubuntu is automatically enabling DKH,
PCMSOLVER and GDMA.
I was able to get the build to succeed with the following patch:

--- a/rules
+++ b/rules
@@ -19,6 +19,9 @@
     dh_auto_configure --builddirectory=builddir --  \
         -DCMAKE_BUILD_TYPE=RelWithDebInfo    \
         -DENABLE_CHEMPS2=1            \
+        -DENABLE_DKH=0                \
+        -DENABLE_PCMSOLVER=0            \
+        -DENABLE_GDMA=0                \
         -DEXPLICIT_LIBS="-lint -lderiv"        \
         -DCHEMPS2_ROOT=/usr

Regards
Graham

--- End Message ---
--- Begin Message ---
Source: psi4
Source-Version: 1:1.0~rc-3

We believe that the bug you reported is fixed in the latest version of
psi4, which is due to be installed in the Debian FTP archive.

A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to [email protected],
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Graham Inggs <[email protected]> (supplier of updated psi4 package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [email protected])


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512

Format: 1.8
Date: Wed, 06 Jul 2016 11:16:43 +0200
Source: psi4
Binary: psi4 psi4-data
Architecture: source
Version: 1:1.0~rc-3
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Graham Inggs <[email protected]>
Description:
 psi4       - Quantum Chemical Program Suite
 psi4-data  - Quantum Chemical Program Suite (data files)
Closes: 827769
Changes:
 psi4 (1:1.0~rc-3) unstable; urgency=medium
 .
   * debian.rules: Disable automatically enabled build options,
     fixes FTBFS in Ubuntu. (Closes: #827769)
   * debian/patches/fix-cloud_sptheme-sphinx1.4.patch: New patch,
     fix building documentation with Sphinx 1.4, see #829230.
Checksums-Sha1:
 ca226e7c25e01b8b395155f8106151dbf3a39247 2286 psi4_1.0~rc-3.dsc
 2d5822fea278316f5be825b161d41a674766d00d 28856 psi4_1.0~rc-3.debian.tar.xz
Checksums-Sha256:
 9c7037aa721c1c29ded85d54f05d3bc8aa582dd93597c2d35744d29e8a4fef49 2286 
psi4_1.0~rc-3.dsc
 9e4e07503d51b22cb3eef09ebbfc50e83aaa7952e86a257593cfe735fb9bef63 28856 
psi4_1.0~rc-3.debian.tar.xz
Files:
 620a69ff328ac4ca0b64b61c4537434d 2286 science optional psi4_1.0~rc-3.dsc
 60a8e2eeb65d945e55e6d3723e456129 28856 science optional 
psi4_1.0~rc-3.debian.tar.xz

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