From 5f0c863d9ab9d89497b068180c875ae9ef82750e Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 17 Nov 2023 13:27:35 +0100 Subject: [PATCH 1/4] Update setup.py --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index a5c84880..9923d91e 100644 --- a/setup.py +++ b/setup.py @@ -27,7 +27,7 @@ keywords='lammps, mpi4py', packages=find_packages(exclude=["*tests*"]), install_requires=[ - "mpi4py==3.1.5", "pympipool==0.7.3", "numpy==1.26.0" + "mpi4py==3.1.5", "pympipool==0.7.5", "numpy==1.26.0" ], extras_require={ "ase": ["ase==3.22.1", "scipy==1.11.3"], From 461ffc88ab434f787be8e52ba797aafb1cb0bedf Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 17 Nov 2023 13:27:49 +0100 Subject: [PATCH 2/4] Update environment-mpich.yml --- .ci_support/environment-mpich.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-mpich.yml b/.ci_support/environment-mpich.yml index 9aa4e1d2..f4d6f2d0 100644 --- a/.ci_support/environment-mpich.yml +++ b/.ci_support/environment-mpich.yml @@ -6,6 +6,6 @@ dependencies: - mpich - numpy =1.26.0 - mpi4py =3.1.5 - - pympipool =0.7.3 + - pympipool =0.7.5 - ase =3.22.1 - scipy =1.11.3 From 984d8988b583c7bc273cd70dfecad5eb31c64ae5 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 17 Nov 2023 13:28:00 +0100 Subject: [PATCH 3/4] Update environment-openmpi.yml --- .ci_support/environment-openmpi.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.ci_support/environment-openmpi.yml b/.ci_support/environment-openmpi.yml index a7255747..f8070247 100644 --- a/.ci_support/environment-openmpi.yml +++ b/.ci_support/environment-openmpi.yml @@ -6,6 +6,6 @@ dependencies: - openmpi - numpy =1.26.0 - mpi4py =3.1.5 - - pympipool =0.7.3 + - pympipool =0.7.5 - ase =3.22.1 - scipy =1.11.3 From 623e40f58c3666fb0fb2ebb8f244cbcb0d63737b Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Fri, 17 Nov 2023 13:29:30 +0100 Subject: [PATCH 4/4] Update environment.yml --- binder/environment.yml | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/binder/environment.yml b/binder/environment.yml index 8e7952b4..19e34b84 100644 --- a/binder/environment.yml +++ b/binder/environment.yml @@ -2,9 +2,9 @@ channels: - conda-forge dependencies: - openmpi -- numpy =1.23.5 -- lammps >=2021.05.27 -- mpi4py =3.1.4 -- pympipool =0.5.6 +- numpy =1.26.0 +- lammps =2023.08.02 +- mpi4py =3.1.5 +- pympipool =0.7.5 - ase =3.22.1 -- scipy =1.10.1 +- scipy =1.11.3