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v3.0.0b0 #78

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merged 16 commits into from
Jul 4, 2024
Merged

v3.0.0b0 #78

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e46756f
v3.0.0b0
njzjz Jul 3, 2024
6336536
sync changes from main
njzjz Jul 3, 2024
1ce8dc0
fix typos
njzjz Jul 3, 2024
9590842
MNT: Re-rendered with conda-build 24.5.1, conda-smithy 3.36.2, and co…
Jul 3, 2024
a8d17e5
pin libpnetcdf to 1.12.3 as a workaround for conda-forge/conda-forge-…
njzjz Jul 3, 2024
533c06c
verbose to see the detailed command
njzjz Jul 3, 2024
795c256
enable pytorch in the Python build
njzjz Jul 3, 2024
2f3a02b
set OPAL_PREFIX for openmpi
njzjz Jul 3, 2024
0947de2
prevent over linking
njzjz Jul 4, 2024
560efa4
revert the change
njzjz Jul 4, 2024
c843af1
pin pytorch to 2.1, tensorflow to 2.15
njzjz Jul 4, 2024
b872ee6
MNT: Re-rendered with conda-build 24.5.1, conda-smithy 3.36.2, and co…
Jul 4, 2024
5f1fabf
skip py312
njzjz Jul 4, 2024
d9995ac
MNT: Re-rendered with conda-build 24.5.1, conda-smithy 3.36.2, and co…
Jul 4, 2024
f1da7ae
only pin on linux
njzjz Jul 4, 2024
8dfeb39
MNT: Re-rendered with conda-build 24.5.1, conda-smithy 3.36.2, and co…
Jul 4, 2024
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49 changes: 25 additions & 24 deletions .azure-pipelines/azure-pipelines-linux.yml
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15 changes: 14 additions & 1 deletion .azure-pipelines/azure-pipelines-osx.yml
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13 changes: 9 additions & 4 deletions ...lernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.10.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,12 +2,16 @@ c_compiler:
- gcc
c_compiler_version:
- '11'
c_stdlib:
- sysroot
c_stdlib_version:
- '2.17'
cdt_name:
- cos7
channel_sources:
- conda-forge
channel_targets:
- conda-forge deepmd-kit_dev
- conda-forge deepmd-kit_rc
cuda_compiler:
- nvcc
cuda_compiler_version:
Expand All @@ -34,15 +38,16 @@ pin_run_as_build:
python:
- 3.10.* *_cpython
pytorch:
- '2.1'
- '2.3'
target_platform:
- linux-64
tensorflow:
- '2.15'
- '2.16'
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- c_stdlib_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
13 changes: 9 additions & 4 deletions ...lernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.11.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,12 +2,16 @@ c_compiler:
- gcc
c_compiler_version:
- '11'
c_stdlib:
- sysroot
c_stdlib_version:
- '2.17'
cdt_name:
- cos7
channel_sources:
- conda-forge
channel_targets:
- conda-forge deepmd-kit_dev
- conda-forge deepmd-kit_rc
cuda_compiler:
- nvcc
cuda_compiler_version:
Expand All @@ -34,15 +38,16 @@ pin_run_as_build:
python:
- 3.11.* *_cpython
pytorch:
- '2.1'
- '2.3'
target_platform:
- linux-64
tensorflow:
- '2.15'
- '2.16'
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- c_stdlib_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
23 changes: 14 additions & 9 deletions ...sion10mpimpichpython3.10.____cpython.yaml → ...sion11mpimpichpython3.12.____cpython.yaml
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Original file line number Diff line number Diff line change
@@ -1,23 +1,27 @@
c_compiler:
- gcc
c_compiler_version:
- '10'
- '11'
c_stdlib:
- sysroot
c_stdlib_version:
- '2.17'
cdt_name:
- cos7
channel_sources:
- conda-forge
channel_targets:
- conda-forge deepmd-kit_dev
- conda-forge deepmd-kit_rc
cuda_compiler:
- nvcc
cuda_compiler_version:
- '11.2'
- '11.8'
cxx_compiler:
- gxx
cxx_compiler_version:
- '10'
- '11'
docker_image:
- quay.io/condaforge/linux-anvil-cuda:11.2
- quay.io/condaforge/linux-anvil-cuda:11.8
mpi:
- mpich
mpich:
Expand All @@ -32,17 +36,18 @@ pin_run_as_build:
min_pin: x.x
max_pin: x.x
python:
- 3.10.* *_cpython
- 3.12.* *_cpython
pytorch:
- '2.1'
- '2.3'
target_platform:
- linux-64
tensorflow:
- '2.15'
- '2.16'
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- c_stdlib_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
13 changes: 9 additions & 4 deletions ...ilernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.9.____cpython.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,12 +2,16 @@ c_compiler:
- gcc
c_compiler_version:
- '11'
c_stdlib:
- sysroot
c_stdlib_version:
- '2.17'
cdt_name:
- cos7
channel_sources:
- conda-forge
channel_targets:
- conda-forge deepmd-kit_dev
- conda-forge deepmd-kit_rc
cuda_compiler:
- nvcc
cuda_compiler_version:
Expand All @@ -34,15 +38,16 @@ pin_run_as_build:
python:
- 3.9.* *_cpython
pytorch:
- '2.1'
- '2.3'
target_platform:
- linux-64
tensorflow:
- '2.15'
- '2.16'
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- c_stdlib_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
13 changes: 9 additions & 4 deletions ...rnvcccuda_compiler_version11.8cxx_compiler_version11mpiopenmpipython3.10.____cpython.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -2,12 +2,16 @@ c_compiler:
- gcc
c_compiler_version:
- '11'
c_stdlib:
- sysroot
c_stdlib_version:
- '2.17'
cdt_name:
- cos7
channel_sources:
- conda-forge
channel_targets:
- conda-forge deepmd-kit_dev
- conda-forge deepmd-kit_rc
cuda_compiler:
- nvcc
cuda_compiler_version:
Expand All @@ -34,15 +38,16 @@ pin_run_as_build:
python:
- 3.10.* *_cpython
pytorch:
- '2.1'
- '2.3'
target_platform:
- linux-64
tensorflow:
- '2.15'
- '2.16'
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- c_stdlib_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
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