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add libint2 #22060

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add libint2 #22060

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eb614e8
initial recipe
loriab Feb 17, 2023
5b3fdf9
line continue
loriab Feb 17, 2023
a587463
add osx, win
loriab Feb 17, 2023
e075d36
expand testing
loriab Feb 17, 2023
01a907b
further testing
loriab Feb 17, 2023
87bb1d7
iter
loriab Feb 17, 2023
05c3f42
select py
loriab Feb 17, 2023
f6fd87d
another compiler
loriab Feb 17, 2023
940dbcb
better win call
loriab Feb 17, 2023
af8bf97
still trying to call the exe
loriab Feb 17, 2023
d1b02c1
try production source
loriab Feb 17, 2023
8a9e3b4
try again windows
loriab Feb 18, 2023
09c4a15
try source w/o f12 integrals
loriab Feb 19, 2023
c8c2f1c
poke
loriab Feb 19, 2023
b051100
no win opt
loriab Feb 19, 2023
cc5077c
still smaller for W
loriab Feb 20, 2023
1375554
still smaller
loriab Feb 20, 2023
cfb7281
little bigger
loriab Feb 20, 2023
06be8ca
tweak datadir
loriab Feb 21, 2023
81a5ae7
large src
loriab Feb 21, 2023
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try again windows
  • Loading branch information
@loriab
loriab committed Feb 18, 2023
commit 8a9e3b47114c11a3a56f537f31c589fe3a3200a0
8 changes: 4 additions & 4 deletions recipes/libint2/meta.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,8 @@
{% set version = "2.7.2" %}

# baby source tarball for testing
{% set url = "https://github.com/loriab/libint/releases/download/v0.1/libint-2.7.2-post1-2-2-3-2_1.tgz" %}
{% set sha256 = "8eec23ee3148cd91dd817c5dc908e1e40e14d318d704d047ac5572dce860484e" %}
# {% set url = "https://github.com/loriab/libint/releases/download/v0.1/libint-2.7.2-post1-2-2-3-2_1.tgz" %}
# {% set sha256 = "8eec23ee3148cd91dd817c5dc908e1e40e14d318d704d047ac5572dce860484e" %}

# production source tarball
{% set url = "https://github.com/loriab/libint/releases/download/v0.1/libint-2.7.2-post1-5-4-3-6-5-4_mm4f12ob2_1.tgz" %}
Expand Down Expand Up @@ -34,7 +34,7 @@ requirements:
host:
# note: alternately, could withhold boost here so that a vendored subset of boost headers gets installed
# at include/libint2/boost/ . Then downstream builds against libint2 don't need a Boost dependency.
- boost
- boost-cpp
- eigen

test:
Expand All @@ -44,7 +44,7 @@ test:
- ninja
- python 3.10 # only for running a validation script, so suppress all but one Py version. update as necessary.
- eigen
- boost
- boost-cpp
files:
- tests/hartree-fock/CMakeLists.txt
source_files:
Expand Down