Skip to content

Commit 56efc1a

Browse files
authored
Merge pull request #2695 from ReactionMechanismGenerator/feat/isodesmic_scipy
[Python 3.9] Improve isodesmic and add element balance constraints
2 parents 756439f + 4f8f268 commit 56efc1a

File tree

12 files changed

+605
-361
lines changed

12 files changed

+605
-361
lines changed

.conda/meta.yaml

Lines changed: 0 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -14,7 +14,6 @@ requirements:
1414
- {{ compiler('c') }} # [unix]
1515
host:
1616
- cython >=0.25.2
17-
- lpsolve55
1817
- numpy
1918
- openbabel >=3
2019
- pydas >=1.0.2
@@ -39,7 +38,6 @@ requirements:
3938
- h5py
4039
- jinja2
4140
- jupyter
42-
- lpsolve55
4341
- markupsafe
4442
- matplotlib >=1.5
4543
- mopac

.github/workflows/CI.yml

Lines changed: 0 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -81,16 +81,6 @@ jobs:
8181
activate-environment: rmg_env
8282
use-mamba: true
8383

84-
- name: Fix ARM Mac environment
85-
if: matrix.os == 'macos-latest'
86-
run: |
87-
conda deactivate
88-
conda env remove -n rmg_env
89-
conda create -n rmg_env
90-
conda activate rmg_env
91-
conda config --env --set subdir osx-64
92-
conda env update -f environment.yml
93-
9484
# list the environment for debugging purposes
9585
- name: mamba info
9686
run: |

0 commit comments

Comments
 (0)