v2020.9.11 release

CHANGES.md

@@ -1,6 +1,12 @@
 Change log
 ==========
 
+v2020.9.11
+----------
+* Update dependencies
+* Fix minor pathing bug in DFT experiments
+* Update runner (beta) for running named campaigns
+
 v2020.8.28
 ----------
 * multi-purpose GPy-bsed batch-mode agent

camd/__init__.py

@@ -11,7 +11,7 @@
 from tqdm import tqdm as _tqdm
 
 
-__version__ = "2020.8.28-post1"
+__version__ = "2020.9.11"
 
 CAMD_ROOT = os.path.dirname(os.path.abspath(__file__))
 CAMD_TEST_FILES = os.path.join(CAMD_ROOT, "tests", "test_files")
@@ -25,4 +25,4 @@
 if TQDM_OFF:
     tqdm = partial(_tqdm, disable=TQDM_OFF)
 else:
-    tqdm = _tqdm
+    tqdm = _tqdm

setup.py

@@ -34,7 +34,7 @@
 setup(
     name='camd',
     url="https://github.com/TRI-AMDD/CAMD",
-    version="2020.8.28-post1",
+    version="2020.9.11",
     packages=find_packages(),
     description=DESCRIPTION,
     long_description=LONG_DESCRIPTION,
@@ -88,4 +88,4 @@
         "density functional theory", "energy", "AI", "artificial intelligence",
         "sequential learning", "active learning"
     ],
-    )
+    )

tasks.py

@@ -113,6 +113,12 @@ def update_changelog(ctx):
         f.write(toks[0] + l + "".join(toks[1:]))
     ctx.run("open CHANGES.md")
 
+@task
+def check_creds(ctx):
+    req_env_vars = ["TWINE_USERNAME", "TWINE_PASSWORD", "GITHUB_RELEASES_TOKEN"]
+    for env_var in req_env_vars:
+        assert os.environ.get(env_var), "{} is not set".format(env_var)
+
 
 @task
 def release(ctx, notest=False, nover=False):
@@ -123,6 +129,7 @@ def release(ctx, notest=False, nover=False):
     :param notest: Whether to skip tests.
     :param notest: Whether to skip autoversion (e. g. if tagging version).
     """
+    check_creds(ctx)
     ctx.run("rm -r dist build camd.egg-info", warn=True)
     if not nover:
         set_ver(ctx)