LCPQ
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quantum_package
mirror of https://github.com/LCPQ/quantum_package
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73 Commits

Author SHA1 Message Date
Anthony Scemama 1311fd72bd Changes for OCaml zmq-5.0 2018-05-09 11:31:32 +02:00
Anthony Scemama ca3b0e9825
Trying to fix jbuilder bug in OCaml installation 2018-03-07 19:45:52 +01:00
Anthony Scemama 61e65babd3
Fix for #227 (#228) 
* Fixes #223

* Upgrade to OCaml 4.06 and Core 0.10

* Fixes #223 (#226) (#61)

* Fixed qp_edit
 2018-01-22 02:45:17 +01:00
Anthony Scemama 4a04e769c5 pin old core library 2017-12-20 18:02:55 +01:00
Anthony Scemama 44f91e4187 MRCC merge with garniroy, broken 2017-12-04 12:04:46 +01:00
Anthony Scemama ae1cb2dfd5 Chunks in broadcast 2017-11-23 18:43:04 +01:00
Anthony Scemama 08460ab6a4 Merge branch 'master' into develop 
Conflicts:
	.travis.yml
	src/AO_Basis/aos.irp.f
 2017-09-26 17:33:13 +02:00
Anthony Scemama d6b160053d Manual install of Lapack 2017-09-14 18:20:00 +02:00
Anthony Scemama 899a764147 Manual install of Lapack 2017-09-14 18:13:20 +02:00
Anthony Scemama d1c9f179bc OCaml 4.04 2017-08-18 19:48:22 +02:00
Anthony Scemama 2244411e0c Merge branch 'LCPQ-master' 
Conflicts:
	install/scripts/install_ocaml.sh
 2017-08-18 19:46:54 +02:00
Anthony Scemama b0ff7d934d Update install_ocaml.sh 2017-08-18 15:52:54 +02:00
Anthony Scemama f754d5917b Update install_ocaml.sh 2017-08-18 15:20:24 +02:00
Anthony Scemama 16d981e9ee Fix ZMQ installation problem 2017-08-18 15:07:54 +02:00
Anthony Scemama fc479f59a6 Fix ZMQ installation problem 2017-08-18 14:47:11 +02:00
Anthony Scemama aa392551f9 Fix ZMQ installation problem 2017-08-18 14:45:04 +02:00
Anthony Scemama 876411cb61 Using OCaml 4.02.3 2017-08-18 14:09:48 +02:00
Anthony Scemama 3f08cc93a2 Using OCaml 4.02.3 2017-08-18 13:46:40 +02:00
Anthony Scemama 9c19b63f6a Try to pin to ocaml 4.02.1 2017-08-18 12:45:43 +02:00
Anthony Scemama 631ef5b54c Fixed GPI2 2017-08-15 17:56:23 +02:00
Anthony Scemama 872ce460ab Added support for GPI2 2017-07-21 03:34:07 +02:00
Anthony Scemama 33ee115062 Removed gmp and zarith dependencies by forcing cryptokit 1.10 2016-12-02 16:20:02 +01:00
Anthony Scemama 8ac3771c64 Fixed install_ocaml.sh 2016-12-02 12:47:25 +01:00
Anthony Scemama 366b0b66c2 Updated travis script 2016-12-02 12:07:19 +01:00
Anthony Scemama 07b48ef2f7 Updated install scripts 2016-12-02 12:04:38 +01:00
Anthony Scemama c78101882f Add zarith in ocaml install (missing dep. of cryptokit) 2016-10-25 23:42:32 +02:00
Anthony Scemama f00f11830e Upgraded ZeroMQ 2016-06-06 10:56:28 +02:00
Anthony Scemama 61daec6ee6 Removed all libint stuff 2016-06-03 11:12:41 +02:00
Anthony Scemama 11493e7082 Repaired Ocaml installation 2016-03-29 16:00:02 +02:00
Anthony Scemama d6b970e8a7 Auto-generation of libint required files 2016-03-22 13:28:03 +01:00
TApplencourt eec846e127 Fix libint integral 2016-03-07 20:35:38 +01:00
TApplencourt 17992cc1ea Add eigen in libint in configure script 2016-03-07 18:23:22 +01:00
Anthony Scemama 6361e1bf9c Merge thomas 2016-01-26 15:05:46 +01:00
TApplencourt 8818ef929e Fix merging problem 2016-01-15 16:29:44 +01:00
TApplencourt 6f0fb8dad0 Working with the new emsl 2016-01-15 10:26:42 +01:00
TApplencourt 643b3d1cec Add missing $ 2016-01-14 17:59:56 +01:00
TApplencourt 63315d459c Beter version handle 2016-01-14 17:47:18 +01:00
Anthony Scemama cb896093da Test GCC version fixed 2016-01-05 01:17:30 +01:00
Anthony Scemama adc95a3678 Merge branch 'master' of https://github.com/TApplencourt/quantum_package into TApplencourt-master 
Conflicts:
	install/scripts/install_ocaml.sh
	testing_no_regression/unit_test.py
 2016-01-04 10:18:09 +01:00
TApplencourt 229b7c5bb2 Fix travis 2015-12-14 08:14:06 +01:00
TApplencourt c02a7ca735 Fix travil 2015-12-14 08:13:16 +01:00
Anthony Scemama 77adda256a Repaired Download in travis 2015-12-11 15:11:43 +01:00
Anthony Scemama e85a5927a1 Natural orbitals using SVD 2015-12-08 13:24:43 +01:00
Anthony Scemama e223b1b7e4 Add ZMQ before ocaml install 2015-12-08 11:31:02 +01:00
Anthony Scemama 7f65192e68 Added ZMQ in ocaml installation 2015-12-07 22:26:42 +01:00
caffarel df6ca0ee05 Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
Anthony Scemama 665638ebc0 configure OK with ZeroMQ 2015-12-01 12:34:24 +01:00
Anthony Scemama d3530303ed QP_ROOT in install scripts 2015-11-25 18:59:49 +01:00
Anthony Scemama 6b02b622ba Added print in configure for debugging 2015-11-25 18:55:06 +01:00
Anthony Scemama 109e3946eb Added print in configure for debugging 2015-11-25 18:39:49 +01:00