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Commit Graph

11 Commits

Author SHA1 Message Date
Evgeny Posenitskiy
eb34535d22
Test QMCkl with the latest TREXIO + MacOS CI (#58)
* FIX: update the metadata group of the TREXIO file

This change is required to make `test_qmckl_trexio` pass with the recent additions to the TREXIO (see `unsafe` attribute of the metadata group).

* Install the latest TREXIO in GH actions

* Enable CI test on MacOS

* Fix TREXIO installation on MacOS

* Update TREXIO pkg-config path

* Change PKG_CONFIG_PATH

* Fix F77 issue of autoconf

* Disable useless F77 check
2022-02-01 14:21:29 +01:00
3488455110 Work on Jastrow 2022-01-31 16:47:28 +01:00
1b24d12fbb Fixed install in Makefile 2022-01-07 14:22:23 +01:00
3f9daae3d3 Updated example files 2021-12-10 23:04:51 +01:00
dc814dd34e Moved the Shermann-Morrison tests out of org-mode 2021-11-25 15:16:55 +01:00
6afb78429a Added new test 2021-10-13 10:10:09 +02:00
9d67a29122 Read electrons from trexio 2021-10-06 23:34:58 +02:00
abb30cf8e2 Add css file 2021-05-12 02:47:55 +02:00
c61556ef77 Working on automake 2021-05-11 11:45:49 +02:00
e2e46d0714 Moved documentation in share/doc 2021-04-30 01:26:19 +02:00
399a632bdd Add doc in dist, and text doc 2021-04-21 12:44:03 +02:00