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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 20:36:01 +01:00
Commit Graph

23 Commits

Author SHA1 Message Date
47c4ee7d01 Fixed parallel build with Fortran 2023-09-26 16:00:49 +02:00
da70f7a032 Fixed Fortran dependencies in parallel builds 2023-03-02 11:10:44 +01:00
Harmen Stoppels
13f208165c
Use encoding in open
Python's open is locale dependent, LC_ALL=C may open it in ascii mode and fail
2023-02-14 11:18:51 +01:00
d6ddfda80a Added dependency to config.h in makefiles 2022-10-11 17:56:28 +02:00
5c62bc1c71 Added --disable-doc to configure 2022-09-28 17:52:33 +02:00
b33d6e523d Replace python2 with general python 2022-07-27 19:48:24 +02:00
85a0d48557 Drop the use of git command to get data files 2022-07-27 19:30:43 +02:00
2ffcf25492 Out of source build 2022-02-17 23:40:44 +01:00
dcb392c0af Swap indices 1..5 with points in AOs/MOs 2022-02-11 16:07:25 +01:00
f7ce203db7 Fix makefiles 2022-01-08 16:04:04 +01:00
1b24d12fbb Fixed install in Makefile 2022-01-07 14:22:23 +01:00
Evgeny Posenitskiy
12fc6533da
Fix TREXIO installation in the Verificarlo workflow (#55)
* specify CC and FC at configure time

* use verificarlo-c instead of verificarlo-f

* install TREXIO in ci_install.sh script

* use GNU compiler instead of verificarlo ones to build TREXIO

* install BLAS and LAPACK due to the recent change in configure of QMCkl

* Fix QMCkl pre-build issue

* move TREXIO installation back to .yml file and downgrade to v.1.1.0

* formatting .yml
2021-12-14 10:43:36 +01:00
e45325e25a Fixing tests 2021-11-25 15:48:53 +01:00
e505f991df Fixed generated.mk 2021-11-25 15:46:42 +01:00
18a2af8025 Fix tests 2021-11-25 15:29:47 +01:00
0c2ea40593 configure fixed in other directory 2021-11-17 17:41:21 +01:00
970026c9a6 Removed QMCKL_DEVEL=1 in configure 2021-11-01 09:55:51 +01:00
cc4382997a Improved autoconf scripts 2021-10-28 17:58:15 +02:00
4e36bba278 Fixed distcheck with updated trexio 2021-10-14 10:50:51 +02:00
6afb78429a Added new test 2021-10-13 10:10:09 +02:00
36293d892e Clean configure 2021-06-03 01:32:50 +02:00
60875bf3fa Fix dist 2021-05-12 23:18:22 +02:00
0ae0f68d01 Python script to build makefiles 2021-05-12 23:16:09 +02:00