Revert "Configure local dev environment"

This reverts commit 7b75367.
proteneer · Feb 7, 2022 · adae990 · adae990
1 parent e42c510
commit adae990
Show file tree

Hide file tree

Showing 13 changed files with 12 additions and 330 deletions.
diff --git a/.dir-locals.el b/.dir-locals.el
diff --git a/.envrc b/.envrc
diff --git a/.gitignore b/.gitignore
@@ -7,9 +7,6 @@ timemachine/cpp/build/
 oe_license.txt
 *.swp
 .ipynb_checkpoints/
-.cache/
-compile_commands.json
-.pre-commit-config.yaml
 build/
 *.egg-info/
 .coverage*
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -18,8 +18,8 @@ repos:
     -   id: flake8
         exclude: '^timemachine/cpp'
 
--   repo: https://github.com/doublify/pre-commit-clang-format
-    rev: "62302476d0da01515660132d76902359bed0f782"
+-   repo: https://github.com/pre-commit/mirrors-clang-format
+    rev: v13.0.0
     hooks:
     -   id: clang-format
         types_or: [c, c++, cuda]

diff --git a/nix/sources.json b/nix/sources.json
diff --git a/nix/sources.nix b/nix/sources.nix
diff --git a/pyproject.toml b/pyproject.toml
@@ -9,5 +9,5 @@ extend-exclude = '''
 '''
 
 [build-system]
-requires = ["setuptools>=43.0.0", "wheel", "versioneer-518"]
+requires = ["setuptools>=43.0.0", "wheel", "cmake==3.22.1", "versioneer-518"]
 build-backend = "setuptools.build_meta"
diff --git a/pyrightconfig.json b/pyrightconfig.json
diff --git a/requirements.txt b/requirements.txt
@@ -1,12 +1,10 @@
 bootstrapped==0.0.2
-protobuf==3.19.0
+grpcio==1.30.0
+grpcio-tools==1.30.0
+protobuf==3.12.2
 numpy==1.21.4
-scipy==1.7.3
+scipy==1.6.0
 pymbar==3.0.5
 pyyaml==5.4.1
 hilbertcurve==1.0.5
 networkx==2.5
-
---extra-index-url https://pypi.anaconda.org/openeye/simple
-OpenEye-toolkits==2020.2.0
-OpenEye-toolkits-python3-linux-x64==2020.2.0
diff --git a/shell.nix b/shell.nix
diff --git a/slow_tests/test_rbfe.py b/slow_tests/test_rbfe.py
@@ -10,8 +10,7 @@
 from timemachine.parallel.utils import get_gpu_count
 
 DATA_DIR = os.path.join(os.path.dirname(__file__), "..", "tests", "data")
-# NUM_GPUS = get_gpu_count()
-NUM_GPUS = 1
+NUM_GPUS = get_gpu_count()
 
 
 class TestRBFEModel(TestCase):

diff --git a/tests/test_rabfe.py b/tests/test_rabfe.py
@@ -23,8 +23,7 @@
 from common import temporary_working_dir
 
 DATA_DIR = os.path.join(os.path.dirname(__file__), "data")
-# NUM_GPUS = get_gpu_count()
-NUM_GPUS = 1
+NUM_GPUS = get_gpu_count()
 
 
 class TestRABFEModels(TestCase):

diff --git a/timemachine/cpp/CMakeLists.txt b/timemachine/cpp/CMakeLists.txt
@@ -2,12 +2,12 @@ cmake_minimum_required(VERSION 3.18 FATAL_ERROR)
 
 set(CMAKE_CXX_STANDARD 17)
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
-set(PYBIND11_PYTHON_VERSION 3.9 CACHE STRING "Which version of python we're building wrappers against")
+set(PYBIND11_PYTHON_VERSION 3.7 CACHE STRING "Which version of python we're building wrappers against")
 
 project(timemachine LANGUAGES CXX CUDA)
 
-find_package(PythonInterp 3.9 REQUIRED)
-find_package(PythonLibs 3.9 REQUIRED)
+find_package(PythonInterp 3.7 REQUIRED)
+find_package(PythonLibs 3.7 REQUIRED)
 
 string(APPEND CMAKE_CUDA_FLAGS "-O3 -lineinfo")
 message(${CMAKE_CUDA_FLAGS})