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
